TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T16308	Rotamase Pin1	B03FSJ	(2R)-5-(Azepan-1-yl)-2-[(2-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-oxopentanoic acid	Investigative	122194895	C22H28N4O4	412.5	CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)N[C@H](CCC(=O)N3CCCCCC3)C(=O)O	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	B0N8CV	(2R)-5-(1-Adamantylamino)-2-[(2-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-oxopentanoic acid	Investigative	122194902	C26H32N4O4	464.6	CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)N[C@H](CCC(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)O	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	B0P2HM	(2R)-5-(Cyclopentylamino)-2-[(2-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-oxopentanoic acid	Investigative	122194899	C21H26N4O4	398.5	CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)N[C@H](CCC(=O)NC3CCCC3)C(=O)O	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	B0S5LA	N-[(2R)-3-(3-Fluorophenyl)-1-(methanesulfonamido)-1-oxopropan-2-yl]naphthalene-2-carboxamide	Investigative	46884187	C21H19FN2O4S	414.5	CS(=O)(=O)NC(=O)[C@@H](CC1=CC(=CC=C1)F)NC(=O)C2=CC3=CC=CC=C3C=C2	Ki = 53000 nM	Poor binder
T16308	Rotamase Pin1	B0TM4Q	(2R)-2-[(2-Methyl-5-phenylpyrazole-3-carbonyl)amino]-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid	Investigative	122194897	C22H28N4O4	412.5	CC1CCN(CC1)C(=O)CC[C@H](C(=O)O)NC(=O)C2=CC(=NN2C)C3=CC=CC=C3	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	B1MIJ8	Chembl4226887	Investigative	145970188	C12H6ClN3O4	291.64	C1=CC2=C(C(=C1)OC3=CC(=NC=C3[N+](=O)[O-])Cl)N=CO2	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	B1NC2K	2-[4-(1-Benzothiophene-3-carbonylamino)-2-(3,4-dimethoxybenzoyl)anilino]-2-oxoacetic acid	Investigative	70695880	C26H20N2O7S	504.5	COC1=C(C=C(C=C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3=CSC4=CC=CC=C43)NC(=O)C(=O)O)OC	IC50 = 53550 nM	Poor binder
T16308	Rotamase Pin1	B1Z4IW	(2R)-4-(Cyclohexylamino)-2-[(2-methyl-5-phenylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid	Investigative	122194910	C21H26N4O4	398.5	CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)N[C@H](CC(=O)NC3CCCCC3)C(=O)O	IC50 = 67000 nM	Poor binder
T16308	Rotamase Pin1	B2WS7D	(R)-2-(2-Naphthamido)-3-(3-cyanophenyl)propanoic acid	Investigative	46884046	C21H16N2O3	344.4	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=CC(=CC=C3)C#N)C(=O)O	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	B3E9SL	(R)-3-(1H-Benzo[d]imidazol-2-yl)-2-propionamidopropanoic acid	Investigative	46227798	C13H15N3O3	261.279	CCC(=O)N[C@H](CC1=NC2=CC=CC=C2N1)C(=O)O	IC50 = 78000 nM	Poor binder
T16308	Rotamase Pin1	B46RFX	(R)-2-(Benzo[b]thiophene-2-carboxamido)-5-phenylpent-4-enoic acid	Investigative	46884264	C20H17NO3S	351.4	C1=CC=C(C=C1)/C=C/C[C@H](C(=O)O)NC(=O)C2=CC3=CC=CC=C3S2	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	B4O7IX	2-Chloro-N-cyclohexyl-5-nitropyrimidin-4-amine	Investigative	7147236	C10H13ClN4O2	256.69	C1CCC(CC1)NC2=NC(=NC=C2[N+](=O)[O-])Cl	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	B4QP5W	Chembl4225916	Investigative	89486397	C12H11ClN4O2	278.69	C1=CC=C(C=C1)CCNC2=NC(=NC=C2[N+](=O)[O-])Cl	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	B4ULH1	(2R)-2-[(2-Methyl-5-phenylpyrazole-3-carbonyl)amino]-4-oxo-4-pyrrolidin-1-ylbutanoic acid	Investigative	122194903	C19H22N4O4	370.4	CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)N[C@H](CC(=O)N3CCCC3)C(=O)O	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	B4VO0A	Chembl4228192	Investigative	145969565	C12H8ClN3O2	261.66	CC1=CN=C(N=C1OC2=CC=CC3=C2N=CO3)Cl	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	B59WFH	Pipecolate deriv., 9	Investigative	44263408	C26H34N2O4	438.6	C1CCN([C@@H](C1)C(=O)OCCCCC2=CC=CC=C2)C(=O)N[C@H](CC3=CC=CC=C3)CO	Ki ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	B5B8NM	(R)-2-(2-Naphthamido)-3-(3-(trifluoromethyl)phenyl)propanoic acid	Investigative	46884048	C21H16F3NO3	387.4	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=CC(=CC=C3)C(F)(F)F)C(=O)O	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	B6A2TX	4-(Methylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid	Investigative	52941817	C12H11N3O3	245.23	CNC(=O)C1=C(NC(=N1)C2=CC=CC=C2)C(=O)O	IC50 = 80000 nM	Poor binder
T16308	Rotamase Pin1	B6BAH8	Chembl4226020	Investigative	108137463	C9H10ClN3O3	243.65	C1CCC(C1)OC2=NC(=NC=C2[N+](=O)[O-])Cl	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	B6RF4B	(2R)-5-(Azocan-1-yl)-5-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid	Investigative	122194920	C22H27N3O4S	429.5	C1CCCN(CCC1)C(=O)CC[C@H](C(=O)O)NC(=O)C2=CSC(=N2)C3=CC=CC=C3	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	B70XCQ	3-[(2S,5S,8S,11S,14S,17R,20S)-14,20-Bis(3-amino-3-oxopropyl)-5-benzyl-11-[(2S)-butan-2-yl]-4,7,8,17-tetramethyl-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]propanoic acid	Investigative	45379353	C38H57N9O11	815.9	CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)C)C)CC2=CC=CC=C2)C)CCC(=O)O)CCC(=O)N)C)CCC(=O)N	IC50 = 63000 nM	Poor binder
T16308	Rotamase Pin1	B73PVX	(2R)-4-(Cyclopentylamino)-2-[(2-methyl-5-phenylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid	Investigative	122194909	C20H24N4O4	384.4	CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)N[C@H](CC(=O)NC3CCCC3)C(=O)O	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	B78OFD	Chembl4225606	Investigative	145968301	C14H11ClN4O2	302.71	C1CC(=O)N(C1=O)C2=CN=C(N=C2NC3=CC=CC=C3)Cl	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	B7QUT8	(2R)-5-Morpholin-4-yl-2-(naphthalene-2-carbonylamino)-5-oxopentanoic acid	Investigative	122194913	C20H22N2O5	370.4	C1COCCN1C(=O)CC[C@H](C(=O)O)NC(=O)C2=CC3=CC=CC=C3C=C2	IC50 = 83000 nM	Poor binder
T16308	Rotamase Pin1	B7U3FK	(2R)-4-(1-Adamantylamino)-2-[(2-methyl-5-phenylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid	Investigative	122194912	C25H30N4O4	450.5	CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)N[C@H](CC(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)O	IC50 = 91000 nM	Poor binder
T16308	Rotamase Pin1	B80LVI	(R)-Methyl 3-(1H-benzo[d]imidazol-2-yl)-2-(5-(4-methoxyphenyl)-2-methylfuran-3-carboxamido)propanoate	Investigative	46227823	C24H23N3O5	433.5	CC1=C(C=C(O1)C2=CC=C(C=C2)OC)C(=O)N[C@H](CC3=NC4=CC=CC=C4N3)C(=O)OC	IC50 = 92000 nM	Poor binder
T16308	Rotamase Pin1	B8GBY6	2-Chloro-N-methyl-5-nitropyrimidin-4-amine	Investigative	7147232	C5H5ClN4O2	188.57	CNC1=NC(=NC=C1[N+](=O)[O-])Cl	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	B8LP7O	(R)-2-(2-Naphthamido)-5-(3-fluorophenyl)pent-4-enoic acid	Investigative	46884263	C22H18FNO3	363.4	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](C/C=C/C3=CC(=CC=C3)F)C(=O)O	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	B8T7AQ	4-(2-(3-Cyclohexylureido)-6-nitroquinazolin-4-ylamino)benzoic acid	Investigative	54586348	C22H22N6O5	450.4	C1CCC(CC1)NC(=O)NC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)NC4=CC=C(C=C4)C(=O)O	IC50 = 54200 nM	Poor binder
T16308	Rotamase Pin1	B9HGW1	(2R)-5-(Cycloheptylamino)-2-[(2-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-oxopentanoic acid	Investigative	122194901	C23H30N4O4	426.5	CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)N[C@H](CCC(=O)NC3CCCCCC3)C(=O)O	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	B9V5NA	3-(2-(3-(3,4-Dichlorophenyl)ureido)-6-nitroquinazolin-4-ylamino)propanoic acid	Investigative	54582488	C18H14Cl2N6O5	465.2	C1=CC(=C(C=C1NC(=O)NC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)NCCC(=O)O)Cl)Cl	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BA27MO	Chembl4227407	Investigative	145969074	C12H5ClF3N3O2	315.63	C1=CC2=C(C(=C1)OC3=NC(=NC=C3C(F)(F)F)Cl)N=CO2	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BA7MF3	(2R)-2-[(2-Methyl-5-phenylpyrazole-3-carbonyl)amino]-4-morpholin-4-yl-4-oxobutanoic acid	Investigative	122194908	C19H22N4O5	386.4	CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)N[C@H](CC(=O)N3CCOCC3)C(=O)O	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BAL24S	(R)-2-(2-Naphthamido)-5-(3-fluorophenyl)pent-4-ynoic acid	Investigative	46884230	C22H16FNO3	361.4	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC#CC3=CC(=CC=C3)F)C(=O)O	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	BB5O0Z	(2R)-2-[(2-Methyl-5-phenylpyrazole-3-carbonyl)amino]-4-oxo-4-piperidin-1-ylbutanoic acid	Investigative	122194904	C20H24N4O4	384.4	CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)N[C@H](CC(=O)N3CCCCC3)C(=O)O	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BC07IR	2-(4-Acetamido-2-benzoylanilino)-2-oxoacetic acid	Investigative	70681154	C17H14N2O5	326.3	CC(=O)NC1=CC(=C(C=C1)NC(=O)C(=O)O)C(=O)C2=CC=CC=C2	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BDCS12	(2R)-4-(Azepan-1-yl)-2-[(2-methyl-5-phenylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid	Investigative	122194905	C21H26N4O4	398.5	CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)N[C@H](CC(=O)N3CCCCCC3)C(=O)O	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BDXQ92	Chembl4226558	Investigative	145967653	C11H6ClF3N2O	274.62	C1=CC=C(C=C1)OC2=NC(=NC=C2C(F)(F)F)Cl	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BE68GV	(R)-3-(2-Naphthamido)-4-(4-(trifluoromethyl)phenyl)butanoic acid	Investigative	46884148	C22H18F3NO3	401.4	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=CC=C(C=C3)C(F)(F)F)CC(=O)O	Ki = 121000 nM	Poor binder
T16308	Rotamase Pin1	BF48JM	(R)-2-(2-Naphthamido)-3-(2-(trifluoromethyl)phenyl)propanoic acid	Investigative	46883947	C21H16F3NO3	387.4	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=CC=CC=C3C(F)(F)F)C(=O)O	Ki = 93000 nM	Poor binder
T16308	Rotamase Pin1	BF52PN	(R)-N-(2-(4-Fluorophenyl)-1-(1H-tetrazol-5-yl)ethyl)-2-naphthamide	Investigative	46884184	C20H16FN5O	361.4	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=CC=C(C=C3)F)C4=NNN=N4	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	BF67OY	Ac-Lys(N-epsilon-biotinoyl)-Ala-Ala-Bth-Thr(PO3H2)-Pro-ChaGln-NH2	Investigative	44409586	C57H86N13O16PS2	1304.5	C[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)[C@H](CC3=CSC4=CC=CC=C43)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6)NC(=O)C)OP(=O)(O)O	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	BFE8H6	(+/-)-2-(2-Naphthamido)-3-(2,3-difluorophenyl)propanoic acid	Investigative	46884010	C20H15F2NO3	355.3	C1=CC=C2C=C(C=CC2=C1)C(=O)NC(CC3=C(C(=CC=C3)F)F)C(=O)O	Ki = 103000 nM	Poor binder
T16308	Rotamase Pin1	BG2PZ9	Chembl4227356	Investigative	59868882	C11H9ClN2O	220.65	CC1=CN=C(N=C1OC2=CC=CC=C2)Cl	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BG5H6P	(R)-2-(2-Naphthamido)-5-cyclohexenylpent-4-enoic acid	Investigative	46884265	C22H23NO3	349.4	C1CCC(=CC1)/C=C/C[C@H](C(=O)O)NC(=O)C2=CC3=CC=CC=C3C=C2	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	BH75DJ	(2R)-4-(Cycloheptylamino)-2-(naphthalene-2-carbonylamino)-4-oxobutanoic acid	Investigative	122194916	C22H26N2O4	382.5	C1CCCC(CC1)NC(=O)C[C@H](C(=O)O)NC(=O)C2=CC3=CC=CC=C3C=C2	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BHIS64	Chembl4227941	Investigative	145970008	C21H12N4O4	384.3	C1=CC=C2C=C(C=CC2=C1)C3=NC=C(C(=N3)OC4=CC=CC5=C4N=CO5)[N+](=O)[O-]	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BHM3O5	(R)-N-(3-(3-Fluorophenyl)-1-oxo-1-(thiazol-2-ylamino)propan-2-yl)-2-naphthamide	Investigative	46884186	C23H18FN3O2S	419.5	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=CC(=CC=C3)F)C(=O)NC4=NC=CS4	Ki = 57000 nM	Poor binder
T16308	Rotamase Pin1	BKH9B4	(R)-2-(2-Naphthamido)-3-(3,4-difluorophenyl)propanoic acid	Investigative	46884110	C20H15F2NO3	355.3	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=CC(=C(C=C3)F)F)C(=O)O	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	BKP95C	(2R)-5-(Cyclohexylamino)-2-[(2-methyl-5-phenylpyrazole-3-carbonyl)amino]-5-oxopentanoic acid	Investigative	122194900	C22H28N4O4	412.5	CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)N[C@H](CCC(=O)NC3CCCCC3)C(=O)O	IC50 = 77000 nM	Poor binder
T16308	Rotamase Pin1	BL0PY7	(R)-2-(2-Naphthamido)-3-(2-fluorophenyl)propanoic acid	Investigative	46883948	C20H16FNO3	337.3	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=CC=CC=C3F)C(=O)O	Ki = 63000 nM	Poor binder
T16308	Rotamase Pin1	BM1O9N	(2R)-2-[(2-Methyl-5-phenylpyrazole-3-carbonyl)amino]-5-oxo-5-piperidin-1-ylpentanoic acid	Investigative	122194894	C21H26N4O4	398.5	CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)N[C@H](CCC(=O)N3CCCCC3)C(=O)O	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BM6GP9	Chembl4227405	Investigative	145968864	C11H6N4O4	258.19	C1=CC2=C(C(=C1)OC3=NC=NC=C3[N+](=O)[O-])N=CO2	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BM72VS	(R)-2-(2-Naphthamido)-5-(thiophen-2-yl)pent-4-ynoic acid	Investigative	46884232	C20H15NO3S	349.4	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC#CC3=CC=CS3)C(=O)O	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	BMLA98	(2R)-4-(Cyclohexylamino)-4-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]butanoic acid	Investigative	122194922	C20H23N3O4S	401.5	C1CCC(CC1)NC(=O)C[C@H](C(=O)O)NC(=O)C2=CSC(=N2)C3=CC=CC=C3	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BMN41R	2-Chloro-N-cyclopentyl-5-nitropyrimidin-4-amine	Investigative	7147253	C9H11ClN4O2	242.66	C1CCC(C1)NC2=NC(=NC=C2[N+](=O)[O-])Cl	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BOC7H8	(R)-N-(1-(1H-Tetrazol-5-yl)-2-(4-(trifluoromethyl)phenyl)ethyl)-2-naphthamide	Investigative	46884185	C21H16F3N5O	411.4	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=CC=C(C=C3)C(F)(F)F)C4=NNN=N4	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	BOD06U	(R)-2-(2-Naphthamido)-5-(2-hydroxyphenyl)pent-4-ynoic acid	Investigative	46884231	C22H17NO4	359.4	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC#CC3=CC=CC=C3O)C(=O)O	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	BOGQ53	(R)-3-(2-Naphthamido)-4-(3,4-difluorophenyl)butanoic acid	Investigative	46884111	C21H17F2NO3	369.4	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=CC(=C(C=C3)F)F)CC(=O)O	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	BOJ3W7	(R)-2-(2-Naphthamido)-3-(3,4-dichlorophenyl)propanoic acid	Investigative	46884112	C20H15Cl2NO3	388.2	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=CC(=C(C=C3)Cl)Cl)C(=O)O	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	BOJ53N	(2R)-2-[(2-Methyl-5-phenylpyrazole-3-carbonyl)amino]-4-(4-methylpiperidin-1-yl)-4-oxobutanoic acid	Investigative	122194907	C21H26N4O4	398.5	CC1CCN(CC1)C(=O)C[C@H](C(=O)O)NC(=O)C2=CC(=NN2C)C3=CC=CC=C3	IC50 = 81000 nM	Poor binder
T16308	Rotamase Pin1	BP41NL	(R)-3-(2-Naphthamido)-4-(3-chlorophenyl)butanoic acid	Investigative	46884109	C21H18ClNO3	367.8	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=CC(=CC=C3)Cl)CC(=O)O	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	BP5S2K	(2R)-2-(1-Benzofuran-2-carbonylamino)-4-(cycloheptylamino)-4-oxobutanoic acid	Investigative	122194917	C20H24N2O5	372.4	C1CCCC(CC1)NC(=O)C[C@H](C(=O)O)NC(=O)C2=CC3=CC=CC=C3O2	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BPLH81	(R)-2-(2-Naphthamido)-3-(3,4,5-trifluorophenyl)propanoic acid	Investigative	46884113	C20H14F3NO3	373.3	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=CC(=C(C(=C3)F)F)F)C(=O)O	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	BQ7T2J	Chembl4228140	Investigative	145971175	C13H8ClN3O4	305.67	COC(=O)C1=CN=C(N=C1OC2=CC=CC3=C2N=CO3)Cl	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BQF91M	(R)-3-(2-Naphthamido)-4-(3-cyanophenyl)butanoic acid	Investigative	46884047	C22H18N2O3	358.4	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=CC(=CC=C3)C#N)CC(=O)O	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	BQIW59	(2R)-2-[(2-Methyl-5-phenylpyrazole-3-carbonyl)amino]-5-oxo-5-(1H-pyrrol-2-yl)pentanoic acid	Investigative	122194893	C20H20N4O4	380.4	CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)N[C@H](CCC(=O)C3=CC=CN3)C(=O)O	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BRFI63	(R)-3-(2-Naphthamido)-4-(3-(trifluoromethyl)phenyl)butanoic acid	Investigative	46884049	C22H18F3NO3	401.4	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=CC(=CC=C3)C(F)(F)F)CC(=O)O	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	BS3IT1	4-(6-Nitro-2-(3-phenethylureido)quinazolin-4-ylamino)benzoic acid	Investigative	54586347	C24H20N6O5	472.5	C1=CC=C(C=C1)CCNC(=O)NC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)NC4=CC=C(C=C4)C(=O)O	IC50 = 52500 nM	Poor binder
T16308	Rotamase Pin1	BSK80B	Chembl4224906	Investigative	108137459	C10H12ClN3O3	257.67	C1CCC(CC1)OC2=NC(=NC=C2[N+](=O)[O-])Cl	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BSQ8Z4	(2R)-2-[(2-Methyl-5-phenylpyrazole-3-carbonyl)amino]-4-(3-methylpiperidin-1-yl)-4-oxobutanoic acid	Investigative	122194906	C21H26N4O4	398.5	CC1CCCN(C1)C(=O)C[C@H](C(=O)O)NC(=O)C2=CC(=NN2C)C3=CC=CC=C3	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BT4R7W	Ac-Lys(N-epsilon-biotinoyl)-Ala-Ala-Nal-Thr(PO3H2)-Pro-tBuGly-Gln-NH2	Investigative	44409545	C57H86N13O16PS	1272.4	C[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N)C(C)(C)C)NC(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)NC(=O)C)OP(=O)(O)O	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	BTCR09	2-[4-(1-Benzothiophene-2-carbonylamino)-2-(3,4-dimethoxybenzoyl)anilino]-2-oxoacetic acid	Investigative	70681155	C26H20N2O7S	504.5	COC1=C(C=C(C=C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=CC=CC=C4S3)NC(=O)C(=O)O)OC	IC50 = 54330 nM	Poor binder
T16308	Rotamase Pin1	BTN0U3	6-Methyl-1H-benzimidazole-2-carboxylic acid	Investigative	1516859	C9H8N2O2	176.17	CC1=CC2=C(C=C1)N=C(N2)C(=O)O	IC50 = 63000 nM	Poor binder
T16308	Rotamase Pin1	BTVW49	(R)-3-(2-Naphthamido)-4-(3-fluorophenyl)butanoic acid	Investigative	46884011	C21H18FNO3	351.4	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=CC(=CC=C3)F)CC(=O)O	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	BU8XI5	(2R)-2-(1-Benzofuran-2-carbonylamino)-5-morpholin-4-yl-5-oxopentanoic acid	Investigative	122194914	C18H20N2O6	360.4	C1COCCN1C(=O)CC[C@H](C(=O)O)NC(=O)C2=CC3=CC=CC=C3O2	IC50 = 91000 nM	Poor binder
T16308	Rotamase Pin1	BV48SL	2,5-Dichloro-4-phenoxypyrimidine	Investigative	12875050	C10H6Cl2N2O	241.07	C1=CC=C(C=C1)OC2=NC(=NC=C2Cl)Cl	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BVJ5R0	Chembl4227088	Investigative	145971130	C17H10N4O4	334.28	C1=CC=C(C=C1)C2=NC=C(C(=N2)OC3=CC=CC4=C3N=CO4)[N+](=O)[O-]	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BVS34M	4-(Ethylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid	Investigative	52941818	C13H13N3O3	259.26	CCNC(=O)C1=C(NC(=N1)C2=CC=CC=C2)C(=O)O	IC50 = 140000 nM	Poor binder
T16308	Rotamase Pin1	BVU72T	Chembl4227732	Investigative	145968164	C12H6ClN3O4	291.64	C1=CC2=C(C(=C1)OC3=C(C=CC(=N3)Cl)[N+](=O)[O-])N=CO2	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BVW2H4	Ac-Lys(N-epsilon-biotinoyl)-Ala-Ala-Nal-Thr(PO3H2)-Pro-Cha-Gln-NH2	Investigative	44409546	C60H90N13O16PS	1312.5	C[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)[C@H](CC3=CC4=CC=CC=C4C=C3)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6)NC(=O)C)OP(=O)(O)O	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	BWCB06	(2R)-5-(Cyclooctylamino)-5-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid	Investigative	122194921	C23H29N3O4S	443.6	C1CCCC(CCC1)NC(=O)CC[C@H](C(=O)O)NC(=O)C2=CSC(=N2)C3=CC=CC=C3	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	BX7Q3V	(2R)-4-(Cyclooctylamino)-4-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]butanoic acid	Investigative	122194925	C22H27N3O4S	429.5	C1CCCC(CCC1)NC(=O)C[C@H](C(=O)O)NC(=O)C2=CSC(=N2)C3=CC=CC=C3	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	BZ0E2O	(R)-2-(2-Naphthamido)-3-(4-cyanophenyl)propanoic acid	Investigative	46884146	C21H16N2O3	344.4	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=CC=C(C=C3)C#N)C(=O)O	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	BZ2NG4	(R)-2-(2-Naphthamido)-3-(3-chlorophenyl)propanoic acid	Investigative	46884050	C20H16ClNO3	353.8	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=CC(=CC=C3)Cl)C(=O)O	IC50 ~ 50000 nM	Poor binder
T16308	Rotamase Pin1	BZO31W	Chembl4225874	Investigative	145969010	C12H8ClN5O	273.68	C1=CC=C(C=C1)NC2=NC(=NC=C2C3=NN=CO3)Cl	IC50 ~ 100000 nM	Poor binder
T16308	Rotamase Pin1	D02XEX	3-acetyl-11-keto-beta-boswellic acid	Investigative	11168203	C32H48O5	512.7	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C	IC50 = 50360 nM	Poor binder
T16308	Rotamase Pin1	D0XF6C	2-phenyl-1H-imidazole-4-carboxylic acid	Investigative	2738139	C10H8N2O2	188.18	C1=CC=C(C=C1)C2=NC=C(N2)C(=O)O	IC50 = 180000 nM	Poor binder