TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T49898	Cyclin-dependent kinase 1	D00FGR	Miltefosine	Approved	3599	C21H46NO4P	407.6	CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C	IC50 > 1000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B03QYN	2-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-ylamino]-1-phenyl-ethanol	Investigative	9802862	C24H28N6O2	432.5	CC(C)N1C=NC2=C(N=C(N=C21)NCC(C3=CC=CC=C3)O)NCC4=CC=C(C=C4)OC	IC50 = 2800000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B0DT2L	(N-Methylpiperidino)ethanol 2-(tetradecyloxy)ethyl phosphonate	Investigative	44321840	C24H48NO5P	461.6	C[N+]1(CCCCC1)CCOP(=O)([O-])OCCCCCCCCCCCCCCOC=C	IC50 > 1000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B0VT7W	3-[[6-(3-Chloroanilino)-9-isopropyl-purin-2-yl]amino]propan-1-ol	Investigative	16746117	C17H21ClN6O	360.8	CC(C)N1C=NC2=C(N=C(N=C21)NCCCO)NC3=CC(=CC=C3)Cl	IC50 = 900000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B0YW6C	(N-Methylmorpholino)ethanol 2-(dodecyloxy)ethyl phosphonate	Investigative	44322155	C21H42NO6P	435.5	C[N+]1(CCOCC1)CCOP(=O)([O-])OCCCCCCCCCCCCOC=C	IC50 > 1000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B1NR3G	7-Methyl-8,9-dihydro-7H-purin-6-ylamine	Investigative	21868318	C6H9N5	151.17	CN1CNC2=NC=NC(=C21)N	IC50 > 500000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B1QMJ9	2-[6-(3-Chloro-4-fluoro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-3-methyl-butan-1-ol	Investigative	44315981	C19H24ClFN6O	406.9	CC(C)[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=C(C=C3)F)Cl	IC50 = 360000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B2HQ1N	2-N-Benzyl-6-N-(3-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-9-propan-2-ylpurine-2,6-diamine	Investigative	44316109	C25H30ClN7	464	CC(C)N1C=NC2=C(N=C(N=C21)N(CCN(C)C)CC3=CC=CC=C3)NC4=CC(=CC=C4)Cl	IC50 = 7000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B2Y9BX	2-{[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-yl]-ethyl-amino}-3-methyl-butan-1-ol	Investigative	44316130	C21H29ClN6O	416.9	CCN(C1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=CC=C3)Cl)[C@@H](CO)C(C)C	IC50 = 5000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B2YB5A	2-{1-[6-(4-Chloro-phenylamino)-9-isopropyl-9H-purin-2-yl]-piperidin-2-yl}-ethanol	Investigative	44316152	C21H27ClN6O	414.9	CC(C)N1C=NC2=C(N=C(N=C21)N3CCCCC3CCO)NC4=CC=C(C=C4)Cl	IC50 = 790000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B2YON3	Ditert-butyl 9-bromo-6-oxo-7H-indolo[3,2-d][1]benzazepine-5,12-dicarboxylate	Investigative	5331131	C26H27BrN2O5	527.4	CC(C)(C)OC(=O)N1C(=O)CC2=C(C3=CC=CC=C31)N(C4=C2C=C(C=C4)Br)C(=O)OC(C)(C)C	IC50 = 1000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B31NRQ	Dodecyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate	Investigative	10763151	C19H40NO5P	393.5	CCCCCCCCCCCCOP(=O)([O-])OCC[N+]1(CCOCC1)C	IC50 > 1000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B32AKE	2-{Benzyl-[6-(3-chloro-phenylamino)-9-isopropyl-9H-purin-2-yl]-amino}-ethanol	Investigative	44316145	C23H25ClN6O	436.9	CC(C)N1C=NC2=C(N=C(N=C21)N(CCO)CC3=CC=CC=C3)NC4=CC(=CC=C4)Cl	IC50 = 5000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B3CRP8	(N-Methylmorpholino)ethanol 2-(hexadecyloxy)ethyl phosphonate	Investigative	44322128	C25H50NO6P	491.6	C[N+]1(CCOCC1)CCOP(=O)([O-])OCCCCCCCCCCCCCCCCOC=C	IC50 > 1000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B57YOH	2-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-3-methyl-butan-1-ol	Investigative	12084804	C19H25ClN6O	388.9	CC(C)[C@@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=CC=C3)Cl	IC50 = 500000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B58JQD	(2R)-2-[[6-(3-Chloroanilino)-9-isopropyl-purin-2-yl]amino]butan-1-ol	Investigative	16746116	C18H23ClN6O	374.9	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=CC=C3)Cl	IC50 = 300000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B5BJ7V	2-[[6-(3-Fluoroanilino)-9-isopropyl-purin-2-yl]amino]ethanol	Investigative	9840475	C16H19FN6O	330.36	CC(C)N1C=NC2=C(N=C(N=C21)NCCO)NC3=CC(=CC=C3)F	IC50 = 400000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B5GIT6	(N-Methylmorpholino)ethanol hexadecyl phosphonate	Investigative	10837228	C23H48NO5P	449.6	CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+]1(CCOCC1)C	IC50 > 1000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B5IC4A	2,6,9-Trisubstituted purine deriv. 6	Investigative	6538911	C12H18N6O	262.31	CN1C=NC2=C1N=C(N=C2N(C)CC=C)NCCO	IC50 = 470000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B5KO7F	2-{[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-yl]-methyl-amino}-1-phenyl-ethanol	Investigative	44316151	C25H30N6O2	446.5	CC(C)N1C=NC2=C(N=C(N=C21)N(C)CC(C3=CC=CC=C3)O)NCC4=CC=C(C=C4)OC	IC50 = 1000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B5L0SG	1-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-indan-2-ol	Investigative	44315985	C23H23ClN6O	434.9	CC(C)N1C=NC2=C(N=C(N=C21)NC3[C@H](CC4=CC=CC=C34)O)NC5=CC(=CC=C5)Cl	IC50 = 300000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B5ZMR7	2-{1-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-yl]-piperidin-2-yl}-ethanol	Investigative	44315940	C23H32N6O2	424.5	CC(C)N1C=NC2=C(N=C(N=C21)N3CCCCC3CCO)NCC4=CC=C(C=C4)OC	IC50 = 210000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B6CUG5	(2R)-2-[[6-(3-Chloroanilino)-9-isopropyl-purin-2-yl]amino]-4-methyl-pentan-1-ol	Investigative	16746115	C20H27ClN6O	402.9	CC(C)C[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=CC=C3)Cl	IC50 = 530000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B6DU4Q	2-[6-(3-Amino-4-chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-3-methyl-butan-1-ol	Investigative	12084812	C19H26ClN7O	403.9	CC(C)[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=C(C=C3)Cl)N	IC50 = 52000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B6FQX8	2-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-ylamino]-3-methyl-butan-1-ol	Investigative	10111486	C21H30N6O2	398.5	CC(C)[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=C(C=C3)OC	IC50 = 230000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B6YC2V	(N-Methylpiperidino)ethanol 2-(hexadecyloxy)ethyl phosphonate	Investigative	44321838	C26H52NO5P	489.7	C[N+]1(CCCCC1)CCOP(=O)([O-])OCCCCCCCCCCCCCCCCOC=C	IC50 > 1000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B72IOL	2-Chloroadenine	Investigative	94904	C5H4ClN5	169.57	C1=NC2=NC(=NC(=C2N1)N)Cl	IC50 > 1000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B76PKM	2-{Ethyl-[9-isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-yl]-amino}-ethanol	Investigative	44316180	C20H28N6O2	384.5	CCN(CCO)C1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=C(C=C3)OC	IC50 = 1200000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B7PV2Z	2-{1-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-yl]-piperidin-2-yl}-ethanol	Investigative	44316136	C21H27ClN6O	414.9	CC(C)N1C=NC2=C(N=C(N=C21)N3CCCCC3CCO)NC4=CC(=CC=C4)Cl	IC50 = 1400000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B7XYN6	2-[(5,6-Diphenylfuro[2,3-D]pyrimidin-4-YL)amino]ethanol	Investigative	1587957	C20H17N3O2	331.4	C1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)NCCO)C4=CC=CC=C4	IC50 > 200000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B8AVK9	(2S)-2-[[6-[(4-Methoxyphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol	Investigative	12084808	C21H30N6O2	398.5	CC(C)[C@@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=C(C=C3)OC	IC50 = 600000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B9HR7S	2-[9-Isopropyl-6-(naphthalen-2-ylamino)-9H-purin-2-ylamino]-ethanol	Investigative	9928932	C20H22N6O	362.4	CC(C)N1C=NC2=C(N=C(N=C21)NCCO)NC3=CC4=CC=CC=C4C=C3	IC50 = 430000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B9LY0I	(N-Methylmorpholino)ethanol 2-(tetradecycloxy)ethyl phosphonate	Investigative	44322130	C23H46NO6P	463.6	C[N+]1(CCOCC1)CCOP(=O)([O-])OCCCCCCCCCCCCCCOC=C	IC50 > 1000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B9Q6XL	6-N-(3-Chlorophenyl)-9-propan-2-yl-2-N-[[2-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine	Investigative	44316008	C22H20ClF3N6	460.9	CC(C)N1C=NC2=C(N=C(N=C21)NCC3=CC=CC=C3C(F)(F)F)NC4=CC(=CC=C4)Cl	IC50 = 4000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B9RJ1Q	2-{1-[6-(3,3-Diphenyl-propylamino)-9-isopropyl-9H-purin-2-yl]-piperidin-2-yl}-ethanol	Investigative	44316108	C30H38N6O	498.7	CC(C)N1C=NC2=C(N=C(N=C21)N3CCCCC3CCO)NCCC(C4=CC=CC=C4)C5=CC=CC=C5	IC50 = 9000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B9U2JB	2-[[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-yl]-(4-methyl-benzyl)-amino]-3-methyl-butan-1-ol	Investigative	44316192	C27H33ClN6O	493	CC1=CC=C(C=C1)CN(C2=NC(=C3C(=N2)N(C=N3)C(C)C)NC4=CC(=CC=C4)Cl)[C@@H](CO)C(C)C	IC50 = 10000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	B9ZG0I	Hexadecyl 2-(1-methylpiperidinium-1-yl)ethyl phosphate	Investigative	10671123	C24H50NO4P	447.6	CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+]1(CCCCC1)C	IC50 > 1000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BA10DL	1-Methyl-9H-purin-6-ylamine	Investigative	13908780	C6H9N5	151.17	CN1C=NC2=C(C1N)NC=N2	IC50 > 1000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BA91FS	2-{1-[6-(4-Amino-benzylamino)-9-isopropyl-9H-purin-2-yl]-piperidin-2-yl}-ethanol	Investigative	44315925	C22H31N7O	409.5	CC(C)N1C=NC2=C(N=C(N=C21)N3CCCCC3CCO)NCC4=CC=C(C=C4)N	IC50 = 230000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BA9HU3	2-[9-Isopropyl-6-(2-methoxy-phenylamino)-9H-purin-2-ylamino]-ethanol	Investigative	9928007	C17H22N6O2	342.4	CC(C)N1C=NC2=C(N=C(N=C21)NCCO)NC3=CC=CC=C3OC	IC50 = 9000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BB69DQ	2-{1-[9-Isopropyl-6-(2-phenylamino-ethylamino)-9H-purin-2-yl]-piperidin-2-yl}-ethanol	Investigative	44316332	C23H33N7O	423.6	CC(C)N1C=NC2=C(N=C(N=C21)N3CCCCC3CCO)NCCNC4=CC=CC=C4	IC50 = 1500000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BBVE18	Benzyl-(3-methyl-3,9-dihydro-2H-purin-6-yl)-amine	Investigative	44353701	C13H15N5	241.29	CN1CN=C(C2=C1N=CN2)NCC3=CC=CC=C3	IC50 = 300000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BC0KQ1	2-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-3-cyclohexyl-propan-1-ol	Investigative	44316125	C23H31ClN6O	443	CC(C)N1C=NC2=C(N=C(N=C21)N[C@@H](CC3CCCCC3)CO)NC4=CC(=CC=C4)Cl	IC50 = 5000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BCV85T	1-Amino-3-[9-isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-ylamino]-propan-2-ol	Investigative	44316290	C19H27N7O2	385.5	CC(C)N1C=NC2=C(N=C(N=C21)NCC(CN)O)NCC3=CC=C(C=C3)OC	IC50 = 1600000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BCY0P3	2-[1-(6-Butylamino-9-isopropyl-9H-purin-2-yl)-piperidin-2-yl]-ethanol	Investigative	44316103	C19H32N6O	360.5	CCCCNC1=C2C(=NC(=N1)N3CCCCC3CCO)N(C=N2)C(C)C	IC50 = 1300000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BCZ0L2	2-[9-Isopropyl-6-(3-trifluoromethyl-phenylamino)-9H-purin-2-ylamino]-ethanol	Investigative	12084805	C17H19F3N6O	380.4	CC(C)N1C=NC2=C(N=C(N=C21)NCCO)NC3=CC=CC(=C3)C(F)(F)F	IC50 = 420000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BDF80J	2-{Benzyl-[6-(3-chloro-phenylamino)-9-isopropyl-9H-purin-2-yl]-amino}-3-methyl-butan-1-ol	Investigative	44316124	C26H31ClN6O	479	CC(C)[C@H](CO)N(CC1=CC=CC=C1)C2=NC(=C3C(=N2)N(C=N3)C(C)C)NC4=CC(=CC=C4)Cl	IC50 = 5000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BE5VF4	3-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-ylamino]-propan-1-ol	Investigative	44316171	C19H26N6O2	370.4	CC(C)N1C=NC2=C(N=C(N=C21)NCCCO)NCC3=CC=C(C=C3)OC	IC50 = 1200000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BER7M4	2-[6-(2-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-ethanol	Investigative	9950140	C16H19ClN6O	346.81	CC(C)N1C=NC2=C(N=C(N=C21)NCCO)NC3=CC=CC=C3Cl	IC50 = 4300000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BEU0O5	1-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-yl]-piperidin-4-ol	Investigative	44315885	C21H28N6O2	396.5	CC(C)N1C=NC2=C(N=C(N=C21)N3CCC(CC3)O)NCC4=CC=C(C=C4)OC	IC50 = 6500000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BEV06X	2-[[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-yl]-(3-fluoro-benzyl)-amino]-3-methyl-butan-1-ol	Investigative	16746013	C26H30ClFN6O	497	CC(C)[C@H](CO)N(CC1=CC(=CC=C1)F)C2=NC(=C3C(=N2)N(C=N3)C(C)C)NC4=CC(=CC=C4)Cl	IC50 = 5000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BFE2Y7	2-[6-(3-Bromo-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-ethanol	Investigative	9865229	C16H19BrN6O	391.27	CC(C)N1C=NC2=C(N=C(N=C21)NCCO)NC3=CC(=CC=C3)Br	IC50 = 270000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BFK5B8	(N-Methylpiperidino)ethanol dodecyl phosphonate	Investigative	10572551	C20H42NO4P	391.5	CCCCCCCCCCCCOP(=O)([O-])OCC[N+]1(CCCCC1)C	IC50 > 1000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BGF7M1	2-[[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-yl]-(2-hydroxy-ethyl)-amino]-ethanol	Investigative	44315921	C18H23ClN6O2	390.9	CC(C)N1C=NC2=C(N=C(N=C21)N(CCO)CCO)NC3=CC(=CC=C3)Cl	IC50 = 220000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BH73RZ	(2R)-2-[[6-(3-Chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-2-phenylethanol	Investigative	44315980	C22H23ClN6O	422.9	CC(C)N1C=NC2=C(N=C(N=C21)N[C@@H](CO)C3=CC=CC=C3)NC4=CC(=CC=C4)Cl	IC50 = 400000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BH7WG3	2-(2-Hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine	Investigative	2856	C16H19ClN6O	346.81	CC(C)N1C=NC2=C(N=C(N=C21)NCCO)NC3=CC(=CC=C3)Cl	IC50 = 220000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BHD9J8	2-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-3-methyl-pentan-1-ol	Investigative	12084811	C20H27ClN6O	402.9	CCC(C)[C@@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=CC=C3)Cl	IC50 = 500000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BI6CZ7	2-{4-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-yl]-piperazin-1-yl}-ethanol	Investigative	44315870	C22H31N7O2	425.5	CC(C)N1C=NC2=C(N=C(N=C21)N3CCN(CC3)CCO)NCC4=CC=C(C=C4)OC	IC50 = 7000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BIKY04	2-(4-Methylpiperazino)-6-(4-methoxybenzylamino)-9-isopropyl-9H-purine	Investigative	44316010	C21H29N7O	395.5	CC(C)N1C=NC2=C(N=C(N=C21)N3CCN(CC3)C)NCC4=CC=C(C=C4)OC	IC50 = 10800000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BIS2V7	2-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-2-phenyl-ethanol	Investigative	44315986	C22H23ClN6O	422.9	CC(C)N1C=NC2=C(N=C(N=C21)N[C@H](CO)C3=CC=CC=C3)NC4=CC(=CC=C4)Cl	IC50 = 800000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BIS62M	Paullone Analog 48	Investigative	5331126	C18H15BrN2O	355.2	CCN1C(=O)CC2=C(C3=CC=CC=C31)NC4=C2C=C(C=C4)Br	IC50 = 470000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BJ2XI3	3-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-ylamino]-propane-1,2-diol	Investigative	44316154	C19H26N6O3	386.4	CC(C)N1C=NC2=C(N=C(N=C21)NCC(CO)O)NCC3=CC=C(C=C3)OC	IC50 = 1300000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BJUT61	10-Chloro-6-hydroxybenzo [c]quinolizinium chloride	Investigative	9795307	C13H9Cl2NO	266.12	C1=CC=[N+]2C(=C1)C=C(C3=C2C(=CC=C3)Cl)O.[Cl-]	IC50 > 1000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BKB06O	{1-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-yl]-pyrrolidin-2-yl}-methanol	Investigative	10738939	C19H23ClN6O	386.9	CC(C)N1C=NC2=C(N=C(N=C21)N3CCC[C@@H]3CO)NC4=CC(=CC=C4)Cl	IC50 = 620000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BKN8C7	6-N-(3-Chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-9-propan-2-ylpurine-2,6-diamine	Investigative	44316102	C18H24ClN7	373.9	CC(C)N1C=NC2=C(N=C(N=C21)NCCN(C)C)NC3=CC(=CC=C3)Cl	IC50 = 4400000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BL68BA	Benzyl-(7-methyl-8,9-dihydro-7H-purin-6-yl)-amine	Investigative	44353737	C13H15N5	241.29	CN1CNC2=C1C(=NC=N2)NCC3=CC=CC=C3	IC50 > 1000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BLT05K	{1-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-cyclopentyl}-methanol	Investigative	44316198	C20H25ClN6O	400.9	CC(C)N1C=NC2=C(N=C(N=C21)NC3(CCCC3)CO)NC4=CC(=CC=C4)Cl	IC50 = 500000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BM8XF3	(2R)-1-[[6-(3-Chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol	Investigative	44316294	C23H23ClN6O	434.9	CC(C)N1C=NC2=C(N=C(N=C21)NC3[C@@H](CC4=CC=CC=C34)O)NC5=CC(=CC=C5)Cl	IC50 = 5000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BMT75C	2-{[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-yl]-cyclohexylmethyl-amino}-3-methyl-butan-1-ol	Investigative	44315871	C26H37ClN6O	485.1	CC(C)[C@H](CO)N(CC1CCCCC1)C2=NC(=C3C(=N2)N(C=N3)C(C)C)NC4=CC(=CC=C4)Cl	IC50 = 5300000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BMW0C1	2-[[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-yl]-(4-fluoro-benzyl)-amino]-3-methyl-butan-1-ol	Investigative	44316339	C26H30ClFN6O	497	CC(C)[C@H](CO)N(CC1=CC=C(C=C1)F)C2=NC(=C3C(=N2)N(C=N3)C(C)C)NC4=CC(=CC=C4)Cl	IC50 = 10000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BMZ10W	2-N-Benzyl-2-N-[2-(dimethylamino)ethyl]-6-N-[(4-methoxyphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine	Investigative	10162454	C27H35N7O	473.6	CC(C)N1C=NC2=C(N=C(N=C21)N(CCN(C)C)CC3=CC=CC=C3)NCC4=CC=C(C=C4)OC	IC50 = 5000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BN3S1P	2-{Benzyl-[9-isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-yl]-amino}-ethanol	Investigative	20668980	C25H30N6O2	446.5	CC(C)N1C=NC2=C(N=C(N=C21)N(CCO)CC3=CC=CC=C3)NCC4=CC=C(C=C4)OC	IC50 = 2800000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BNK8V6	2-[9-Isopropyl-6-(3-methoxy-phenylamino)-9H-purin-2-ylamino]-ethanol	Investigative	9906048	C17H22N6O2	342.4	CC(C)N1C=NC2=C(N=C(N=C21)NCCO)NC3=CC(=CC=C3)OC	IC50 = 400000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BOA9M4	2-(1-{9-Isopropyl-6-[(naphthalen-2-ylmethyl)-amino]-9H-purin-2-yl}-piperidin-2-yl)-ethanol	Investigative	44316169	C26H32N6O	444.6	CC(C)N1C=NC2=C(N=C(N=C21)N3CCCCC3CCO)NCC4=CC5=CC=CC=C5C=C4	IC50 = 1200000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BONA54	2-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-3-phenyl-propan-1-ol	Investigative	44316199	C23H25ClN6O	436.9	CC(C)N1C=NC2=C(N=C(N=C21)N[C@H](CC3=CC=CC=C3)CO)NC4=CC(=CC=C4)Cl	IC50 = 500000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BP7N0G	6-Chloro-9-cyclopentyl-9H-purin-2-ylamine	Investigative	23074669	C10H12ClN5	237.69	C1CCC(C1)N2C=NC3=C2N=C(N=C3Cl)N	IC50 = 260000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BQ3E6N	{1-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-ylamino]-cyclopentyl}-methanol	Investigative	44316293	C22H30N6O2	410.5	CC(C)N1C=NC2=C(N=C(N=C21)NC3(CCCC3)CO)NCC4=CC=C(C=C4)OC	IC50 = 450000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BQGH08	2-Methyladenine	Investigative	15048	C6H7N5	149.15	CC1=NC(=C2C(=N1)N=CN2)N	IC50 = 320000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BQN4C0	2-[9-Isopropyl-6-(2-trifluoromethyl-phenylamino)-9H-purin-2-ylamino]-ethanol	Investigative	12084806	C17H19F3N6O	380.4	CC(C)N1C=NC2=C(N=C(N=C21)NCCO)NC3=CC=CC=C3C(F)(F)F	IC50 = 10000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BQNH46	3-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-yl]-amino}-propan-1-ol	Investigative	44316183	C21H30N6O3	414.5	CC(C)N1C=NC2=C(N=C(N=C21)N(CCCO)CCO)NCC3=CC=C(C=C3)OC	IC50 = 250000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BS27NW	2-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-3,3-dimethyl-butan-1-ol	Investigative	44316289	C20H27ClN6O	402.9	CC(C)N1C=NC2=C(N=C(N=C21)N[C@H](CO)C(C)(C)C)NC3=CC(=CC=C3)Cl	IC50 = 2300000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BSF1Q6	3-Methyl-3,9-dihydro-2H-purin-6-ylamine	Investigative	6397536	C6H9N5	151.17	CN1CN=C(C2=C1N=CN2)N	IC50 = 400000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BSZ03L	2-[6-(4-Amino-3-chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-3-methyl-butan-1-ol	Investigative	44315922	C19H26ClN7O	403.9	CC(C)[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=C(C=C3)N)Cl	IC50 = 33000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BU9X1C	2-[6-(3-Chloro-4-fluoro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-ethanol	Investigative	9885440	C16H18ClFN6O	364.8	CC(C)N1C=NC2=C(N=C(N=C21)NCCO)NC3=CC(=C(C=C3)F)Cl	IC50 = 290000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BUKV83	2-{1-[6-(3-Iodo-benzylamino)-9-isopropyl-9H-purin-2-yl]-piperidin-2-yl}-ethanol	Investigative	44315861	C22H29IN6O	520.4	CC(C)N1C=NC2=C(N=C(N=C21)N3CCCCC3CCO)NCC4=CC(=CC=C4)I	IC50 = 6000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BUO02V	9-Bromo-4-methoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one	Investigative	396411	C17H13BrN2O2	357.2	COC1=CC=CC2=C1NC(=O)CC3=C2NC4=C3C=C(C=C4)Br	IC50 = 250000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BUWT65	(2-Azepan-1-yl-9-isopropyl-9H-purin-6-yl)-(4-methoxy-benzyl)-amine	Investigative	5247677	C22H30N6O	394.5	CC(C)N1C=NC2=C(N=C(N=C21)N3CCCCCC3)NCC4=CC=C(C=C4)OC	IC50 = 4000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BVX93T	4-Methoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one	Investigative	396080	C17H14N2O2	278.3	COC1=CC=CC2=C1NC(=O)CC3=C2NC4=CC=CC=C34	IC50 = 430000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BW5CA4	(N-Methylpiperidino)ethanol tetradecyl phosphonate	Investigative	10716972	C22H46NO4P	419.6	CCCCCCCCCCCCCCOP(=O)([O-])OCC[N+]1(CCCCC1)C	IC50 > 1000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BWF9L8	3-[[6-(3-Chloroanilino)-9-isopropyl-purin-2-yl]-(2-hydroxyethyl)amino]propan-1-ol	Investigative	16746003	C19H25ClN6O2	404.9	CC(C)N1C=NC2=C(N=C(N=C21)N(CCCO)CCO)NC3=CC(=CC=C3)Cl	IC50 = 230000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BWFL21	Benzyl-(1-methyl-6,9-dihydro-1H-purin-6-yl)-amine	Investigative	44353713	C13H15N5	241.29	CN1C=NC2=C(C1NCC3=CC=CC=C3)NC=N2	IC50 > 1000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BWNU16	2-[6-(2,4-Dichloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-ethanol	Investigative	12084807	C16H18Cl2N6O	381.3	CC(C)N1C=NC2=C(N=C(N=C21)NCCO)NC3=C(C=C(C=C3)Cl)Cl	IC50 = 2700000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BXEU82	2-(9-Isopropyl-6-phenylamino-9H-purin-2-ylamino)-3-methyl-butan-1-ol	Investigative	10269548	C19H26N6O	354.4	CC(C)[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC=CC=C3	IC50 = 240000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BY1RP7	2-{1-[9-Isopropyl-6-(3-phenyl-propylamino)-9H-purin-2-yl]-piperidin-2-yl}-ethanol	Investigative	44316137	C24H34N6O	422.6	CC(C)N1C=NC2=C(N=C(N=C21)N3CCCCC3CCO)NCCCC4=CC=CC=C4	IC50 = 1300000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BY5BN4	2-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-ylamino]-ethanol	Investigative	44316489	C18H24N6O2	356.4	CC(C)N1C=NC2=C(N=C(N=C21)NCCO)NCC3=CC=C(C=C3)OC	IC50 = 700000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BY75CE	2-(4-Methylmorpholin-4-ium-4-yl)ethyl tetradecyl phosphate	Investigative	10598282	C21H44NO5P	421.6	CCCCCCCCCCCCCCOP(=O)([O-])OCC[N+]1(CCOCC1)C	IC50 > 1000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BYL1R0	2-{1-[9-Isopropyl-6-(2-trifluoromethyl-benzylamino)-9H-purin-2-yl]-piperidin-2-yl}-ethanol	Investigative	44316009	C23H29F3N6O	462.5	CC(C)N1C=NC2=C(N=C(N=C21)N3CCCCC3CCO)NCC4=CC=CC=C4C(F)(F)F	IC50 = 3000000 nM	Non binder
T49898	Cyclin-dependent kinase 1	BZ69YC	2-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-ylamino]-propane-1,3-diol	Investigative	44316518	C19H26N6O3	386.4	CC(C)N1C=NC2=C(N=C(N=C21)NC(CO)CO)NCC3=CC=C(C=C3)OC	IC50 = 560000 nM	Non binder
T49898	Cyclin-dependent kinase 1	D04JIR	9-Methyl-9H-adenine	Investigative	69689	C6H7N5	149.15	CN1C=NC2=C(N=CN=C21)N	IC50 > 350000 nM	Non binder
T49898	Cyclin-dependent kinase 1	D0EW9J	PMID17480064C16	Investigative	10389239	C21H16N4O	340.4	C1CNC(=O)C2=C1NC(=C2)C3=CC(=NC=C3)C4=CC5=CC=CC=C5N=C4	IC50 > 200000 nM	Non binder
T49898	Cyclin-dependent kinase 1	D0FO2K	N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE	Investigative	848641	C20H15N3O3	345.4	C1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)NCC(=O)O)C4=CC=CC=C4	IC50 > 200000 nM	Non binder