TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T96079	C-X-C chemokine receptor type 4	B0Q1NJ	(2S)-5-(Diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]-N-(2-naphthalen-2-ylethyl)pentanamide	Investigative	118712250	C24H36N8O2	468.6	C1=CC=C2C=C(C=CC2=C1)CCNC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCN=C(N)N	EC50 = 57543.99 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	B0S2FC	2-[2-[(3S,6S,9Ar)-6-[4-(diaminomethylideneamino)butyl]-8-(2-naphthalen-2-ylethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[2,1-b][1,3]thiazin-3-yl]ethyl]guanidine	Investigative	134132563	C27H38N8O2S	538.7	C1[C@@H]2N([C@H](C(=O)N1CCC3=CC4=CC=CC=C4C=C3)CCCCN=C(N)N)C(=O)[C@@H](CS2)CCN=C(N)N	EC50 ~ 100000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	B0V5KI	1-Phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]methanamine	Investigative	483570	C25H39N5	409.6	C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCC3=CC=CC=C3	Ki = 128000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	B15GZT	2-[3-[(6S)-3-[3-(Diaminomethylideneamino)propyl]-8-(naphthalen-1-ylmethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[2,1-b][1,3]thiazin-6-yl]propyl]guanidine	Investigative	134142005	C26H36N8O2S	524.7	C1C2N([C@H](C(=O)N1CC3=CC=CC4=CC=CC=C43)CCCN=C(N)N)C(=O)C(CS2)CCCN=C(N)N	EC50 ~ 100000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	B1BZ9C	2-[3-[(3S,6S,9Ar)-6-[4-(diaminomethylideneamino)butyl]-8-(2-naphthalen-2-ylethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[2,1-b][1,3]thiazin-3-yl]propyl]guanidine	Investigative	134138258	C28H40N8O2S	552.7	C1[C@@H]2N([C@H](C(=O)N1CCC3=CC4=CC=CC=C4C=C3)CCCCN=C(N)N)C(=O)[C@@H](CS2)CCCN=C(N)N	EC50 ~ 100000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	B2SM6L	2-[3-[(2R,5S,8S)-2-[3-(Diaminomethylideneamino)propyl]-8-(naphthalen-2-ylmethyl)-3,6,9,13-tetraoxo-1,4,7,10-tetrazacyclotridec-5-yl]propyl]guanidine	Investigative	118712256	C28H40N10O4	580.7	C1CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CCCN=C(N)N)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2	EC50 ~ 100000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	B51SLU	2-[3-[(3R,6S,9As)-3-[2-(diaminomethylideneamino)ethyl]-8-(2-naphthalen-2-ylethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[2,1-b][1,3]thiazin-6-yl]propyl]guanidine	Investigative	134134445	C26H36N8O2S	524.7	C1[C@H]2N([C@H](C(=O)N1CCC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)C(=O)[C@H](CS2)CCN=C(N)N	EC50 ~ 100000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	B5H7WV	2-[3-[(2R,5S,8S)-2-[3-(Diaminomethylideneamino)propyl]-8-(naphthalen-2-ylmethyl)-3,6,9,15-tetraoxo-1,4,7,10-tetrazacyclopentadec-5-yl]propyl]guanidine	Investigative	118712253	C30H44N10O4	608.7	C1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C1)CCCN=C(N)N)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2	EC50 ~ 100000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	B5I7GS	3-[(2S,5S,11R,14S)-14-[3-(Diaminomethylideneamino)propyl]-11-[(4-hydroxyphenyl)methyl]-5-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylurea;2,2,2-trifluoroacetic acid	Investigative	71459133	C38H47F3N10O9	844.8	C1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCNC(=O)N)CCCN=C(N)N)CC4=CC=C(C=C4)O.C(=O)(C(F)(F)F)O	EC50 ~ 100000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	B7N3GC	2-[3-[(3R,6S,9As)-6-[4-(diaminomethylideneamino)butyl]-8-(2-naphthalen-2-ylethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[2,1-b][1,3]thiazin-3-yl]propyl]guanidine	Investigative	134148939	C28H40N8O2S	552.7	C1[C@H]2N([C@H](C(=O)N1CCC3=CC4=CC=CC=C4C=C3)CCCCN=C(N)N)C(=O)[C@H](CS2)CCCN=C(N)N	EC50 ~ 100000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	B9QL8O	2-[3-[(3R,6S,9As)-3-[4-(diaminomethylideneamino)butyl]-8-(2-naphthalen-2-ylethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[2,1-b][1,3]thiazin-6-yl]propyl]guanidine	Investigative	134154825	C28H40N8O2S	552.7	C1[C@H]2N([C@H](C(=O)N1CCC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)C(=O)[C@H](CS2)CCCCN=C(N)N	EC50 ~ 100000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BB49US	2-[2-[(3R,6S,9As)-6-[4-(diaminomethylideneamino)butyl]-8-(2-naphthalen-2-ylethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[2,1-b][1,3]thiazin-3-yl]ethyl]guanidine	Investigative	134139045	C27H38N8O2S	538.7	C1[C@H]2N([C@H](C(=O)N1CCC3=CC4=CC=CC=C4C=C3)CCCCN=C(N)N)C(=O)[C@H](CS2)CCN=C(N)N	EC50 ~ 100000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BD4C0S	2-[3-[(3R,6S,9As)-3-[3-(diaminomethylideneamino)propyl]-8-(2-naphthalen-2-ylethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[2,1-b][1,3]thiazin-6-yl]propyl]guanidine	Investigative	118712260	C27H38N8O2S	538.7	C1[C@H]2N([C@H](C(=O)N1CCC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)C(=O)[C@H](CS2)CCCN=C(N)N	EC50 = 79432.82 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BDSF12	1-(4-Methylbenzyl)-1,4,8,11-tetraazacyclotetradecane	Investigative	460344	C18H32N4	304.5	CC1=CC=C(C=C1)CN2CCCNCCNCCCNCC2	Ki = 60000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BJ4W0L	N,4-Dimethyl-N-(2-(thiophene-3-carbonyl)phenyl)benzenesulfonamide	Investigative	46225413	C19H17NO3S2	371.5	CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)C3=CSC=C3	IC50 ~ 60000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BK8V2F	11-Butyl-3-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methyl-4-piperidyl]-9-[(4-ethoxycyclohexyl)methyl]-3,9-diazaspiro[5.5]undecan-10-one	Investigative	25230828	C35H57N5O3	595.9	CCCCC1C(=O)N(CCC12CCN(CC2)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C)CC5CCC(CC5)OCC	IC50 ~ 50000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BKV4A0	2-[3-[(3S,6S,9Ar)-3-[4-(diaminomethylideneamino)butyl]-8-(2-naphthalen-2-ylethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[2,1-b][1,3]thiazin-6-yl]propyl]guanidine	Investigative	134141938	C28H40N8O2S	552.7	C1[C@@H]2N([C@H](C(=O)N1CCC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)C(=O)[C@@H](CS2)CCCCN=C(N)N	EC50 ~ 100000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BKW47O	2-[3-[(4R,7S,10S,13S)-10-[3-(Diaminomethylideneamino)propyl]-4-[(4-hydroxyphenyl)methyl]-13-(naphthalen-2-ylmethyl)-2,5,8,14-tetraoxo-1,3,6,9,12-pentazacyclotetradec-7-yl]propyl]guanidine	Investigative	44400868	C35H47N11O5	701.8	C1[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)NC(=O)[C@@H](N1)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O)CCCN=C(N)N)CCCN=C(N)N	IC50 ~ 100000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BN4YF8	PharmaGSID_48521	Investigative	44555481	C31H49N5O4	555.8	CCCC[C@H]1CN(C(=O)OC12CCN(CC2)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C)CC5CCOCC5	IC50 ~ 50000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BNH3J6	2-[3-[(6S)-3-[3-(Diaminomethylideneamino)propyl]-8-(naphthalen-2-ylmethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[2,1-b][1,3]thiazin-6-yl]propyl]guanidine	Investigative	134135691	C26H36N8O2S	524.7	C1C2N([C@H](C(=O)N1CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)C(=O)C(CS2)CCCN=C(N)N	EC50 ~ 100000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BO4E5C	2-[3-[(6S)-8-[(1-Bromonaphthalen-2-yl)methyl]-3-[3-(diaminomethylideneamino)propyl]-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[2,1-b][1,3]thiazin-6-yl]propyl]guanidine	Investigative	134144488	C26H35BrN8O2S	603.6	C1C2N([C@H](C(=O)N1CC3=C(C4=CC=CC=C4C=C3)Br)CCCN=C(N)N)C(=O)C(CS2)CCCN=C(N)N	EC50 = 61000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BPN0T2	N-[(3S,6S,9Ar)-6-[3-(diaminomethylideneamino)propyl]-8-(2-naphthalen-2-ylethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[2,1-b][1,3]thiazin-3-yl]-2-(diaminomethylideneamino)acetamide	Investigative	118712259	C26H35N9O3S	553.7	C1[C@@H]2N([C@H](C(=O)N1CCC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)C(=O)[C@@H](CS2)NC(=O)CN=C(N)N	EC50 ~ 100000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BS7B3H	2-[3-[(2R,5S,8S)-5-[3-(Diaminomethylideneamino)propyl]-8-(naphthalen-2-ylmethyl)-3,6,9,12-tetraoxo-1,4,7,10-tetrazacyclododec-2-yl]propyl]guanidine	Investigative	118712257	C27H38N10O4	566.7	C1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N	EC50 = 60000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BV03ZB	2-[3-[(2R,5S,8S)-2-[3-(Diaminomethylideneamino)propyl]-8-(naphthalen-2-ylmethyl)-3,6,9,16-tetraoxo-1,4,7,10-tetrazacyclohexadec-5-yl]propyl]guanidine	Investigative	118712254	C31H46N10O4	622.8	C1CCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N	EC50 ~ 100000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BV48YA	N-[(3R,6S,9As)-6-[3-(diaminomethylideneamino)propyl]-8-(2-naphthalen-2-ylethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[2,1-b][1,3]thiazin-3-yl]-2-(diaminomethylideneamino)acetamide	Investigative	118712258	C26H35N9O3S	553.7	C1[C@H]2N([C@H](C(=O)N1CCC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)C(=O)[C@H](CS2)NC(=O)CN=C(N)N	EC50 ~ 100000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BVU42F	Chembl4159140	Investigative	11505556	C30H43N11O5	637.7	C[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N	EC50 = 51000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BW5VL7	2-[3-[(2R,5S,8S)-2-[3-(Diaminomethylideneamino)propyl]-8-(naphthalen-2-ylmethyl)-3,6,9,14-tetraoxo-1,4,7,10-tetrazacyclotetradec-5-yl]propyl]guanidine	Investigative	118712255	C29H42N10O4	594.7	C1CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N	EC50 ~ 100000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BW7V9H	4-[[4-(4-Benzyl-1H-pyrazol-5-yl)-1-piperidyl]methyl]pyridine	Investigative	56750906	C21H24N4	332.4	C1CN(CCC1C2=C(C=NN2)CC3=CC=CC=C3)CC4=CC=NC=C4	EC50 = 52000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BWZ3I1	[(4-Methylphenyl)sulfonyl](2-{[(4-methylphenyl)sulfonyl]prop-2-enylamino}pheny l)prop-2-enylamine	Investigative	3453336	C26H28N2O4S2	496.6	CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2=CC=CC=C2N(CC=C)S(=O)(=O)C3=CC=C(C=C3)C	IC50 ~ 60000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BX8J0M	2-[3-[(3S,6S,9Ar)-3-[3-(diaminomethylideneamino)propyl]-8-(2-naphthalen-2-ylethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[2,1-b][1,3]thiazin-6-yl]propyl]guanidine	Investigative	118712261	C27H38N8O2S	538.7	C1[C@@H]2N([C@H](C(=O)N1CCC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)C(=O)[C@@H](CS2)CCCN=C(N)N	EC50 = 63095.73 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BY05VS	3-[(2S,5S,8S,14R)-5-[3-(Carbamoylamino)propyl]-14-[(4-hydroxyphenyl)methyl]-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylurea	Investigative	71450139	C36H45N9O8	731.8	C1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCNC(=O)N)CCCNC(=O)N)CC4=CC=C(C=C4)O	EC50 ~ 100000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BY8D2W	(2R)-2-Acetamido-N-[(2S)-1-[[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-(diaminomethylideneamino)pentanamide	Investigative	118712251	C27H40N10O4	568.7	CC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N	EC50 = 85113.8 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BZA14G	n,n'-1,2-Phenylenebis(n,4-dimethylbenzenesulfonamide)	Investigative	265219	C22H24N2O4S2	444.6	CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=C(C=C3)C	IC50 ~ 60000 nM	Poor binder
T96079	C-X-C chemokine receptor type 4	BZA47K	2-[3-[(3S,6S,9Ar)-3-[2-(diaminomethylideneamino)ethyl]-8-(2-naphthalen-2-ylethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[2,1-b][1,3]thiazin-6-yl]propyl]guanidine	Investigative	134138415	C26H36N8O2S	524.7	C1[C@@H]2N([C@H](C(=O)N1CCC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)C(=O)[C@@H](CS2)CCN=C(N)N	EC50 ~ 100000 nM	Poor binder