Compile Data Set for Download or QSAR

Found 499 hits with Last Name = 'boatman' and Initial = 'd'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50126528 (2-{5-[(4-Amino-cyclohexylmethyl)-carbamoyl]-1,3-di...) Show SMILES COC(=O)C(CSc1ccc(Br)cc1)n1c(=O)n2CC=CC(C(=O)NC[C@H]3CC[C@H](N)CC3)n2c1=O |wU:26.26,wD:29.30,c:20,(-5.83,6.53,;-5.06,5.2,;-3.52,5.2,;-2.75,6.53,;-2.75,3.87,;-3.52,2.54,;-5.06,2.54,;-5.83,1.21,;-5.06,-.12,;-5.83,-1.45,;-7.37,-1.45,;-8.14,-2.8,;-8.14,-.12,;-7.37,1.21,;-1.21,3.87,;-.3,5.11,;-.76,6.57,;1.17,4.64,;2.5,5.41,;3.85,4.64,;3.85,3.08,;2.5,2.31,;2.5,.77,;1.17,,;3.85,,;5.19,.77,;6.52,,;7.85,.77,;9.18,-.01,;9.18,-1.55,;10.51,-2.32,;7.84,-2.32,;6.52,-1.55,;1.17,3.08,;-.3,2.61,;-.77,1.14,)| Show InChI InChI=1S/C24H30BrN5O5S/c1-35-22(32)20(14-36-18-10-6-16(25)7-11-18)29-23(33)28-12-2-3-19(30(28)24(29)34)21(31)27-13-15-4-8-17(26)9-5-15/h2-3,6-7,10-11,15,17,19-20H,4-5,8-9,12-14,26H2,1H3,(H,27,31)/t15-,17-,19?,20?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50076227 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C30H42N8O3/c31-29(32)35-16-7-12-24(26(39)28(41)34-17-13-22-8-3-1-4-9-22)36-27(40)25-14-18-37-19-15-30(33,21-38(25)37)20-23-10-5-2-6-11-23/h1-6,8-11,24-25H,7,12-21,33H2,(H,34,41)(H,36,40)(H4,31,32,35)/t24-,25-,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against trypsin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071565 (2-(2,2-Diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-...) Show SMILES CC1=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc2ccc(cc2)C(N)=O)n2n(C1)c(=O)n(CC(c1ccccc1)c1ccccc1)c2=O |t:1| Show InChI InChI=1S/C38H43N7O6/c1-25-22-32(35(48)42-31(14-8-9-20-39)33(46)36(49)41-21-19-26-15-17-29(18-16-26)34(40)47)45-38(51)43(37(50)44(45)23-25)24-30(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-7,10-13,15-18,22,30-32H,8-9,14,19-21,23-24,39H2,1H3,(H2,40,47)(H,41,49)(H,42,48)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126525 (2-{5-[(6-Amino-2-methyl-pyridin-3-ylmethyl)-carbam...) Show SMILES Cc1nc(N)ccc1CNC(=O)C1C=CCn2n1c(=O)n(C(CSc1ccc(Cl)cc1)C(=O)OC1CCCCC1)c2=O |c:14| Show InChI InChI=1S/C29H33ClN6O5S/c1-18-19(9-14-25(31)33-18)16-32-26(37)23-8-5-15-34-28(39)35(29(40)36(23)34)24(17-42-22-12-10-20(30)11-13-22)27(38)41-21-6-3-2-4-7-21/h5,8-14,21,23-24H,2-4,6-7,15-17H2,1H3,(H2,31,33)(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076227 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C30H42N8O3/c31-29(32)35-16-7-12-24(26(39)28(41)34-17-13-22-8-3-1-4-9-22)36-27(40)25-14-18-37-19-15-30(33,21-38(25)37)20-23-10-5-2-6-11-23/h1-6,8-11,24-25H,7,12-21,33H2,(H,34,41)(H,36,40)(H4,31,32,35)/t24-,25-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against thrombin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076224 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C29H40N8O3/c30-28(31)33-15-7-12-23(25(38)27(40)34-19-22-10-5-2-6-11-22)35-26(39)24-13-16-36-17-14-29(32,20-37(24)36)18-21-8-3-1-4-9-21/h1-6,8-11,23-24H,7,12-20,32H2,(H,34,40)(H,35,39)(H4,30,31,33)/t23-,24-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against thrombin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50076224 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C29H40N8O3/c30-28(31)33-15-7-12-23(25(38)27(40)34-19-22-10-5-2-6-11-22)35-26(39)24-13-16-36-17-14-29(32,20-37(24)36)18-21-8-3-1-4-9-21/h1-6,8-11,23-24H,7,12-20,32H2,(H,34,40)(H,35,39)(H4,30,31,33)/t23-,24-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against trypsin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126521 (2-{5-[(6-Amino-2-methyl-pyridin-3-ylmethyl)-carbam...) Show SMILES CC(C)OC(=O)C(CSc1ccc(Br)cc1)n1c(=O)n2CC=CC(C(=O)NCc3ccc(N)nc3C)n2c1=O |c:22| Show InChI InChI=1S/C26H29BrN6O5S/c1-15(2)38-24(35)21(14-39-19-9-7-18(27)8-10-19)32-25(36)31-12-4-5-20(33(31)26(32)37)23(34)29-13-17-6-11-22(28)30-16(17)3/h4-11,15,20-21H,12-14H2,1-3H3,(H2,28,30)(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071575 (2,2-Dibutyl-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-...) Show SMILES CCCCC1(CCCC)C(=O)N2CC(C)=CC(N2C1=O)C(=O)NC(CCCCN)C(=O)C(=O)NCCc1ccc(cc1)C(N)=O |c:14| Show InChI InChI=1S/C33H48N6O6/c1-4-6-16-33(17-7-5-2)31(44)38-21-22(3)20-26(39(38)32(33)45)29(42)37-25(10-8-9-18-34)27(40)30(43)36-19-15-23-11-13-24(14-12-23)28(35)41/h11-14,20,25-26H,4-10,15-19,21,34H2,1-3H3,(H2,35,41)(H,36,43)(H,37,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50076219 ((3S,6R)-6-Amino-6-benzyl-octahydro-indolizine-3-ca...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCC2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C29H37N7O2S/c30-28(31)33-16-6-10-22(25(37)27-35-21-9-4-5-11-24(21)39-27)34-26(38)23-13-12-20-14-15-29(32,18-36(20)23)17-19-7-2-1-3-8-19/h1-5,7-9,11,20,22-23H,6,10,12-18,32H2,(H,34,38)(H4,30,31,33)/t20?,22-,23-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against trypsin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126508 (2-{5-[(4-Amino-cyclohexylmethyl)-carbamoyl]-1,3-di...) Show SMILES COC(=O)C(CSc1ccc(Cl)c(Cl)c1)n1c(=O)n2CC=CC(C(=O)NC[C@H]3CC[C@H](N)CC3)n2c1=O |wU:27.27,wD:30.31,c:21,(-3.9,4.43,;-3.13,3.1,;-1.59,3.1,;-.82,4.43,;-.82,1.75,;-1.59,.42,;-3.13,.42,;-3.91,-.91,;-3.13,-2.24,;-3.9,-3.57,;-5.45,-3.57,;-6.22,-4.91,;-6.21,-2.24,;-7.76,-2.22,;-5.44,-.89,;.72,1.75,;1.63,3,;1.15,4.47,;3.1,2.52,;4.43,3.29,;5.77,2.52,;5.77,.97,;4.43,.2,;4.43,-1.34,;3.1,-2.11,;5.77,-2.11,;7.1,-1.34,;8.45,-2.11,;9.78,-1.34,;11.11,-2.12,;11.09,-3.66,;12.44,-4.42,;9.76,-4.42,;8.43,-3.65,;3.1,.97,;1.63,.51,;1.15,-.96,)| Show InChI InChI=1S/C24H29Cl2N5O5S/c1-36-22(33)20(13-37-16-8-9-17(25)18(26)11-16)30-23(34)29-10-2-3-19(31(29)24(30)35)21(32)28-12-14-4-6-15(27)7-5-14/h2-3,8-9,11,14-15,19-20H,4-7,10,12-13,27H2,1H3,(H,28,32)/t14-,15-,19?,20?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126520 (2-{5-[(6-Amino-2-methyl-pyridin-3-ylmethyl)-carbam...) Show SMILES CCOC(=O)C(CSc1ccc(Br)cc1)n1c(=O)n2CC=CC(C(=O)NCc3ccc(N)nc3C)n2c1=O |c:21| Show InChI InChI=1S/C25H27BrN6O5S/c1-3-37-23(34)20(14-38-18-9-7-17(26)8-10-18)31-24(35)30-12-4-5-19(32(30)25(31)36)22(33)28-13-16-6-11-21(27)29-15(16)2/h4-11,19-20H,3,12-14H2,1-2H3,(H2,27,29)(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50071570 (8-Isobutyl-2-(4-methoxy-phenyl)-1,3-dioxo-2,3,5,8-...) Show SMILES COc1ccc(cc1)-n1c(=O)n2C(CC(C)C)C=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc3ccc(cc3)C(N)=O)n2c1=O |c:18| Show InChI InChI=1S/C34H43N7O7/c1-21(2)20-25-13-16-28(41-34(47)39(33(46)40(25)41)24-11-14-26(48-3)15-12-24)31(44)38-27(6-4-5-18-35)29(42)32(45)37-19-17-22-7-9-23(10-8-22)30(36)43/h7-16,21,25,27-28H,4-6,17-20,35H2,1-3H3,(H2,36,43)(H,37,45)(H,38,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the trypsin enzyme				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071573 (2-(2,2-Diphenyl-ethyl)-1,3-dioxo-2,3,5,8-tetrahydr...) Show SMILES NCCCCC(NC(=O)C1C=CCn2n1c(=O)n(CC(c1ccccc1)c1ccccc1)c2=O)C(=O)C(=O)NCCc1ccc(cc1)C(N)=O |c:10| Show InChI InChI=1S/C37H41N7O6/c38-21-8-7-14-30(32(45)35(48)40-22-20-25-16-18-28(19-17-25)33(39)46)41-34(47)31-15-9-23-43-36(49)42(37(50)44(31)43)24-29(26-10-3-1-4-11-26)27-12-5-2-6-13-27/h1-6,9-13,15-19,29-31H,7-8,14,20-24,38H2,(H2,39,46)(H,40,48)(H,41,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076223 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCCc1ccc(Cl)cc1 Show InChI InChI=1S/C30H41ClN8O3/c31-23-10-8-21(9-11-23)12-16-35-28(42)26(40)24(7-4-15-36-29(32)33)37-27(41)25-13-17-38-18-14-30(34,20-39(25)38)19-22-5-2-1-3-6-22/h1-3,5-6,8-11,24-25H,4,7,12-20,34H2,(H,35,42)(H,37,41)(H4,32,33,36)/t24-,25-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against thrombin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126526 (2-{5-[(4-Amino-cyclohexylmethyl)-carbamoyl]-1,3-di...) Show SMILES COC(=O)C(CSc1ccc(Cl)cc1)n1c(=O)n2CC=CC(C(=O)NC[C@H]3CC[C@H](N)CC3)n2c1=O |wU:26.26,wD:29.30,c:20,(-3.63,5.15,;-2.86,3.82,;-1.32,3.82,;-.55,5.15,;-.55,2.47,;-1.32,1.14,;-2.86,1.14,;-3.64,-.17,;-2.86,-1.52,;-3.63,-2.85,;-5.18,-2.85,;-5.95,-4.18,;-5.94,-1.52,;-5.17,-.17,;.99,2.47,;1.9,3.73,;1.42,5.2,;3.37,3.24,;4.7,4.01,;6.03,3.24,;6.03,1.7,;4.7,.93,;4.7,-.61,;3.37,-1.38,;6.03,-1.38,;7.37,-.61,;8.71,-1.38,;10.04,-.61,;11.37,-1.4,;11.36,-2.94,;12.7,-3.69,;10.02,-3.69,;8.7,-2.92,;3.37,1.7,;1.9,1.23,;1.41,-.24,)| Show InChI InChI=1S/C24H30ClN5O5S/c1-35-22(32)20(14-36-18-10-6-16(25)7-11-18)29-23(33)28-12-2-3-19(30(28)24(29)34)21(31)27-13-15-4-8-17(26)9-5-15/h2-3,6-7,10-11,15,17,19-20H,4-5,8-9,12-14,26H2,1H3,(H,27,31)/t15-,17-,19?,20?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50071571 (8-Isobutyl-2-(3-methyl-butyl)-1,3-dioxo-2,3,5,8-te...) Show SMILES CC(C)CCn1c(=O)n2C(CC(C)C)C=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc3ccc(cc3)C(N)=O)n2c1=O |c:14| Show InChI InChI=1S/C32H47N7O6/c1-20(2)15-18-37-31(44)38-24(19-21(3)4)12-13-26(39(38)32(37)45)29(42)36-25(7-5-6-16-33)27(40)30(43)35-17-14-22-8-10-23(11-9-22)28(34)41/h8-13,20-21,24-26H,5-7,14-19,33H2,1-4H3,(H2,34,41)(H,35,43)(H,36,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the trypsin enzyme				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076225 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) Show SMILES COc1ccc(CCNC(=O)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCN3CC[C@@](N)(Cc4ccccc4)CN23)cc1 Show InChI InChI=1S/C31H44N8O4/c1-43-24-11-9-22(10-12-24)13-17-35-29(42)27(40)25(8-5-16-36-30(32)33)37-28(41)26-14-18-38-19-15-31(34,21-39(26)38)20-23-6-3-2-4-7-23/h2-4,6-7,9-12,25-26H,5,8,13-21,34H2,1H3,(H,35,42)(H,37,41)(H4,32,33,36)/t25-,26-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against thrombin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50076222 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C28H36N8O2S/c29-27(30)32-14-6-10-21(24(37)26-34-20-9-4-5-11-23(20)39-26)33-25(38)22-12-15-35-16-13-28(31,18-36(22)35)17-19-7-2-1-3-8-19/h1-5,7-9,11,21-22H,6,10,12-18,31H2,(H,33,38)(H4,29,30,32)/t21-,22-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against trypsin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076222 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C28H36N8O2S/c29-27(30)32-14-6-10-21(24(37)26-34-20-9-4-5-11-23(20)39-26)33-25(38)22-12-15-35-16-13-28(31,18-36(22)35)17-19-7-2-1-3-8-19/h1-5,7-9,11,21-22H,6,10,12-18,31H2,(H,33,38)(H4,29,30,32)/t21-,22-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against thrombin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126500 (2-{5-[(4-Amino-cyclohexylmethyl)-carbamoyl]-1,3-di...) Show SMILES COC(=O)C(CSc1ccc(OC)cc1)n1c(=O)n2CC=CC(C(=O)NC[C@H]3CC[C@H](N)CC3)n2c1=O |wU:27.27,wD:30.31,c:21,(-2.09,4.45,;-1.32,3.1,;.22,3.1,;.99,4.43,;.99,1.77,;.22,.44,;-1.32,.44,;-2.09,-.89,;-3.63,-.89,;-4.4,-2.22,;-3.63,-3.55,;-4.4,-4.88,;-3.63,-6.21,;-2.09,-3.55,;-1.32,-2.22,;2.53,1.77,;3.44,3.03,;2.97,4.48,;4.91,2.54,;6.24,3.31,;7.58,2.54,;7.58,1,;6.24,.23,;6.24,-1.31,;4.91,-2.08,;7.58,-2.08,;8.92,-1.31,;10.25,-2.08,;11.58,-1.31,;12.91,-2.11,;12.91,-3.65,;14.24,-4.41,;11.57,-4.41,;10.25,-3.64,;4.91,1,;3.44,.51,;2.96,-.94,)| Show InChI InChI=1S/C25H33N5O6S/c1-35-18-9-11-19(12-10-18)37-15-21(23(32)36-2)29-24(33)28-13-3-4-20(30(28)25(29)34)22(31)27-14-16-5-7-17(26)8-6-16/h3-4,9-12,16-17,20-21H,5-8,13-15,26H2,1-2H3,(H,27,31)/t16-,17-,20?,21?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076219 ((3S,6R)-6-Amino-6-benzyl-octahydro-indolizine-3-ca...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCC2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C29H37N7O2S/c30-28(31)33-16-6-10-22(25(37)27-35-21-9-4-5-11-24(21)39-27)34-26(38)23-13-12-20-14-15-29(32,18-36(20)23)17-19-7-2-1-3-8-19/h1-5,7-9,11,20,22-23H,6,10,12-18,32H2,(H,34,38)(H4,30,31,33)/t20?,22-,23-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against thrombin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076219 ((3S,6R)-6-Amino-6-benzyl-octahydro-indolizine-3-ca...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCC2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C29H37N7O2S/c30-28(31)33-16-6-10-22(25(37)27-35-21-9-4-5-11-24(21)39-27)34-26(38)23-13-12-20-14-15-29(32,18-36(20)23)17-19-7-2-1-3-8-19/h1-5,7-9,11,20,22-23H,6,10,12-18,32H2,(H,34,38)(H4,30,31,33)/t20?,22-,23-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against thrombin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Prostacyclin receptor (RAT)	BDBM23954 (5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...) Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]-iloprost from recombinant rat IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation count...				J Med Chem 60: 913-927 (2017) Article DOI: 10.1021/acs.jmedchem.6b00871 BindingDB Entry DOI: 10.7270/Q2VX0JSM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126514 (2-{5-[(6-Amino-2-methyl-pyridin-3-ylmethyl)-carbam...) Show SMILES Cc1nc(N)ccc1CNC(=O)C1C=CCn2n1c(=O)n(C(CSc1ccc(Br)cc1)C(=O)OC1CCCCC1)c2=O |c:14| Show InChI InChI=1S/C29H33BrN6O5S/c1-18-19(9-14-25(31)33-18)16-32-26(37)23-8-5-15-34-28(39)35(29(40)36(23)34)24(17-42-22-12-10-20(30)11-13-22)27(38)41-21-6-3-2-4-7-21/h5,8-14,21,23-24H,2-4,6-7,15-17H2,1H3,(H2,31,33)(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126523 (2-{5-[(6-Amino-2-methyl-pyridin-3-ylmethyl)-carbam...) Show SMILES CC(C)OC(=O)C(CSc1ccc(Cl)cc1)n1c(=O)n2CC=CC(C(=O)NCc3ccc(N)nc3C)n2c1=O |c:22| Show InChI InChI=1S/C26H29ClN6O5S/c1-15(2)38-24(35)21(14-39-19-9-7-18(27)8-10-19)32-25(36)31-12-4-5-20(33(31)26(32)37)23(34)29-13-17-6-11-22(28)30-16(17)3/h4-11,15,20-21H,12-14H2,1-3H3,(H2,28,30)(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071568 (2-Amino-2-benzyl-7-methyl-1,3-dioxo-2,3,5,8-tetrah...) Show SMILES CC1=CC(N2N(C1)C(=O)C(N)(Cc1ccccc1)C2=O)C(=O)NC(CCCCN)C(=O)C(=O)NCc1ccc(cc1)C(N)=O |t:1| Show InChI InChI=1S/C31H37N7O6/c1-19-15-24(38-30(44)31(34,29(43)37(38)18-19)16-20-7-3-2-4-8-20)27(41)36-23(9-5-6-14-32)25(39)28(42)35-17-21-10-12-22(13-11-21)26(33)40/h2-4,7-8,10-13,15,23-24H,5-6,9,14,16-18,32,34H2,1H3,(H2,33,40)(H,35,42)(H,36,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071567 (2,2-Dibenzyl-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro...) Show SMILES CC1=CC(N2N(C1)C(=O)C(Cc1ccccc1)(Cc1ccccc1)C2=O)C(=O)NC(CCCCN)C(=O)C(=O)NCCc1ccc(cc1)C(N)=O |t:1| Show InChI InChI=1S/C39H44N6O6/c1-26-22-32(35(48)43-31(14-8-9-20-40)33(46)36(49)42-21-19-27-15-17-30(18-16-27)34(41)47)45-38(51)39(37(50)44(45)25-26,23-28-10-4-2-5-11-28)24-29-12-6-3-7-13-29/h2-7,10-13,15-18,22,31-32H,8-9,14,19-21,23-25,40H2,1H3,(H2,41,47)(H,42,49)(H,43,48)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076228 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nccs1 Show InChI InChI=1S/C24H34N8O2S/c25-23(26)29-10-4-7-18(20(33)22-28-11-14-35-22)30-21(34)19-8-12-31-13-9-24(27,16-32(19)31)15-17-5-2-1-3-6-17/h1-3,5-6,11,14,18-19H,4,7-10,12-13,15-16,27H2,(H,30,34)(H4,25,26,29)/t18-,19-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against thrombin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126529 (2-{5-[(4-Amino-cyclohexylmethyl)-carbamoyl]-1,3-di...) Show SMILES N[C@H]1CC[C@H](CNC(=O)C2C=CCn3n2c(=O)n(C(CSc2ccc(Br)cc2)C(O)=O)c3=O)CC1 |wU:4.4,wD:1.0,c:10,(11.71,-3.97,;10.37,-3.2,;10.38,-1.66,;9.05,-.89,;7.72,-1.66,;6.38,-.89,;5.05,-1.66,;3.71,-.89,;2.38,-1.66,;3.71,.65,;5.05,1.42,;5.05,2.98,;3.71,3.75,;2.38,2.98,;2.38,1.42,;.91,.95,;.43,-.51,;,2.21,;-1.54,2.21,;-2.31,.88,;-3.85,.88,;-4.64,-.45,;-3.85,-1.78,;-4.62,-3.11,;-6.18,-3.11,;-6.95,-4.46,;-6.93,-1.78,;-6.16,-.45,;-2.31,3.54,;-3.85,3.54,;-1.54,4.87,;.91,3.45,;.43,4.92,;7.71,-3.2,;9.04,-3.97,)| Show InChI InChI=1S/C23H28BrN5O5S/c24-15-5-9-17(10-6-15)35-13-19(21(31)32)28-22(33)27-11-1-2-18(29(27)23(28)34)20(30)26-12-14-3-7-16(25)8-4-14/h1-2,5-6,9-10,14,16,18-19H,3-4,7-8,11-13,25H2,(H,26,30)(H,31,32)/t14-,16-,18?,19?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126532 (2-{5-[(4-Amino-cyclohexylmethyl)-carbamoyl]-1,3-di...) Show SMILES COC(=O)C(CSc1ccccc1)n1c(=O)n2CC=CC(C(=O)NC[C@H]3CC[C@H](N)CC3)n2c1=O |wU:25.25,wD:28.29,c:19,(-3.56,4.94,;-2.79,3.59,;-1.25,3.59,;-.48,4.92,;-.48,2.26,;-1.25,.93,;-2.79,.93,;-3.57,-.4,;-5.1,-.4,;-5.87,-1.73,;-5.11,-3.06,;-3.56,-3.06,;-2.79,-1.73,;1.06,2.26,;1.97,3.5,;1.49,4.96,;3.44,3.03,;4.77,3.8,;6.1,3.03,;6.1,1.47,;4.77,.7,;4.77,-.84,;3.44,-1.61,;6.1,-1.61,;7.44,-.84,;8.78,-1.61,;10.11,-.84,;11.44,-1.62,;11.43,-3.16,;12.77,-3.93,;10.09,-3.93,;8.77,-3.16,;3.44,1.47,;1.97,1,;1.48,-.47,)| Show InChI InChI=1S/C24H31N5O5S/c1-34-22(31)20(15-35-18-6-3-2-4-7-18)28-23(32)27-13-5-8-19(29(27)24(28)33)21(30)26-14-16-9-11-17(25)12-10-16/h2-8,16-17,19-20H,9-15,25H2,1H3,(H,26,30)/t16-,17-,19?,20?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50235385 (APD-811 | Ralinepag) Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |r,wU:6.5,wD:9.9,(-11.29,-9.03,;-9.96,-9.8,;-9.96,-11.34,;-8.62,-9.03,;-7.29,-9.8,;-5.96,-9.03,;-4.62,-9.8,;-3.29,-9.03,;-1.96,-9.8,;-1.96,-11.34,;-.62,-12.11,;.71,-11.34,;2.04,-12.11,;2.04,-13.65,;3.38,-11.34,;3.38,-9.8,;2.04,-9.03,;2.04,-7.49,;3.38,-6.72,;4.71,-7.49,;4.71,-9.03,;4.71,-12.11,;6.05,-11.34,;7.38,-12.11,;7.38,-13.65,;8.71,-14.42,;6.05,-14.42,;4.71,-13.65,;-3.29,-12.11,;-4.62,-11.34,)| Show InChI InChI=1S/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]-iloprost from recombinant human IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation cou...				J Med Chem 60: 913-927 (2017) Article DOI: 10.1021/acs.jmedchem.6b00871 BindingDB Entry DOI: 10.7270/Q2VX0JSM
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM23954 (5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...) Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]-iloprost from recombinant human IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation cou...				J Med Chem 60: 913-927 (2017) Article DOI: 10.1021/acs.jmedchem.6b00871 BindingDB Entry DOI: 10.7270/Q2VX0JSM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071566 (2-Amino-8-benzyl-2-ethyl-1,3-dioxo-2,3,5,8-tetrahy...) Show SMILES CCC1(N)C(=O)N2C(Cc3ccccc3)C=CC(N2C1=O)C(=O)NC(CCCCN)C(=O)C(N)=O |c:16| Show InChI InChI=1S/C24H32N6O5/c1-2-24(27)22(34)29-16(14-15-8-4-3-5-9-15)11-12-18(30(29)23(24)35)21(33)28-17(10-6-7-13-25)19(31)20(26)32/h3-5,8-9,11-12,16-18H,2,6-7,10,13-14,25,27H2,1H3,(H2,26,32)(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126534 (2-{5-[(4-Amino-cyclohexylmethyl)-carbamoyl]-1,3-di...) Show SMILES COc1ccc(SCC(C(O)=O)n2c(=O)n3CC=CC(C(=O)NC[C@H]4CC[C@H](N)CC4)n3c2=O)cc1 |wU:24.23,wD:27.27,c:17,(-4.22,-7.16,;-4.99,-5.83,;-4.22,-4.49,;-4.99,-3.16,;-4.22,-1.83,;-2.68,-1.83,;-1.91,-.5,;-.37,-.5,;.4,.83,;-.37,2.16,;-1.91,2.16,;.4,3.49,;1.94,.83,;2.85,2.08,;2.38,3.54,;4.32,1.6,;5.65,2.37,;6.98,1.6,;6.98,.05,;5.65,-.72,;5.65,-2.26,;4.32,-3.03,;6.98,-3.03,;8.33,-2.26,;9.67,-3.03,;11,-2.26,;12.33,-3.04,;12.32,-4.58,;13.66,-5.35,;10.97,-5.35,;9.66,-4.58,;4.32,.05,;2.85,-.43,;2.36,-1.89,;-1.91,-3.16,;-2.68,-4.49,)| Show InChI InChI=1S/C24H31N5O6S/c1-35-17-8-10-18(11-9-17)36-14-20(22(31)32)28-23(33)27-12-2-3-19(29(27)24(28)34)21(30)26-13-15-4-6-16(25)7-5-15/h2-3,8-11,15-16,19-20H,4-7,12-14,25H2,1H3,(H,26,30)(H,31,32)/t15-,16-,19?,20?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071574 (2,2-Diisobutyl-7-methyl-1,3-dioxo-2,3,5,8-tetrahyd...) Show SMILES CC(C)CC1(CC(C)C)C(=O)N2CC(C)=CC(N2C1=O)C(=O)NC(CCCCN)C(=O)C(=O)NCCc1ccc(cc1)C(N)=O |c:14| Show InChI InChI=1S/C33H48N6O6/c1-20(2)17-33(18-21(3)4)31(44)38-19-22(5)16-26(39(38)32(33)45)29(42)37-25(8-6-7-14-34)27(40)30(43)36-15-13-23-9-11-24(12-10-23)28(35)41/h9-12,16,20-21,25-26H,6-8,13-15,17-19,34H2,1-5H3,(H2,35,41)(H,36,43)(H,37,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126505 (2-{5-[(4-Amino-cyclohexylmethyl)-carbamoyl]-1,3-di...) Show SMILES N[C@H]1CC[C@H](CNC(=O)C2C=CCn3n2c(=O)n(C(CSc2ccc(Cl)cc2)C(O)=O)c3=O)CC1 |wU:4.4,wD:1.0,c:10,(12.7,-3.69,;11.36,-2.94,;11.37,-1.4,;10.04,-.61,;8.71,-1.38,;7.37,-.61,;6.03,-1.38,;4.7,-.61,;3.37,-1.38,;4.7,.93,;6.03,1.7,;6.03,3.24,;4.7,4.01,;3.37,3.24,;3.37,1.7,;1.9,1.23,;1.41,-.24,;.99,2.47,;-.55,2.47,;-1.32,1.14,;-2.86,1.14,;-3.64,-.17,;-2.86,-1.52,;-3.63,-2.85,;-5.18,-2.85,;-5.95,-4.18,;-5.94,-1.52,;-5.17,-.17,;-1.32,3.82,;-2.86,3.82,;-.55,5.15,;1.9,3.73,;1.42,5.2,;8.7,-2.92,;10.02,-3.69,)| Show InChI InChI=1S/C23H28ClN5O5S/c24-15-5-9-17(10-6-15)35-13-19(21(31)32)28-22(33)27-11-1-2-18(29(27)23(28)34)20(30)26-12-14-3-7-16(25)8-4-14/h1-2,5-6,9-10,14,16,18-19H,3-4,7-8,11-13,25H2,(H,26,30)(H,31,32)/t14-,16-,18?,19?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Tryptase beta-2/delta/gamma (Homo sapiens (Human))	BDBM50216213 (CHEMBL306744) Show SMILES CC1=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc2ccc(cc2)C(N)=O)n2n(C1)c(=O)n(C(c1ccccc1)c1ccccc1)c2=O |t:1| Show InChI InChI=1S/C37H41N7O6/c1-24-22-30(44-37(50)43(36(49)42(44)23-24)31(26-10-4-2-5-11-26)27-12-6-3-7-13-27)34(47)41-29(14-8-9-20-38)32(45)35(48)40-21-19-25-15-17-28(18-16-25)33(39)46/h2-7,10-13,15-18,22,29-31H,8-9,14,19-21,23,38H2,1H3,(H2,39,46)(H,40,48)(H,41,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the tryptase				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50235370 (CHEMBL3933704) Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 |r,wU:6.5,wD:9.9,(14.03,-33.02,;15.36,-32.25,;15.36,-30.71,;16.69,-33.02,;16.69,-34.56,;18.03,-35.33,;19.36,-34.56,;19.36,-33.02,;20.7,-32.25,;22.03,-33.02,;23.36,-32.25,;24.7,-33.02,;26.03,-32.25,;26.03,-30.71,;27.36,-33.02,;27.36,-34.56,;28.7,-35.33,;28.7,-36.87,;27.36,-37.64,;26.03,-36.87,;26.03,-35.33,;28.7,-32.25,;30.03,-33.02,;31.37,-32.25,;31.37,-30.71,;30.03,-29.94,;30.03,-28.4,;28.7,-30.71,;22.03,-34.56,;20.7,-35.33,)| Show InChI InChI=1S/C23H26FNO5/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27/h1-8,13,17-18H,9-12,14-16H2,(H,26,27)/t17-,18-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]-iloprost from recombinant human IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation cou...				J Med Chem 60: 913-927 (2017) Article DOI: 10.1021/acs.jmedchem.6b00871 BindingDB Entry DOI: 10.7270/Q2VX0JSM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126519 (2-[1-(4-Chloro-phenylsulfanylmethyl)-2-morpholin-4...) Show SMILES Cc1nc(N)ccc1CNC(=O)C1C=CCn2n1c(=O)n(C(CSc1ccc(Cl)cc1)C(=O)N1CCOCC1)c2=O |c:14| Show InChI InChI=1S/C27H30ClN7O5S/c1-17-18(4-9-23(29)31-17)15-30-24(36)21-3-2-10-33-26(38)34(27(39)35(21)33)22(25(37)32-11-13-40-14-12-32)16-41-20-7-5-19(28)6-8-20/h2-9,21-22H,10-16H2,1H3,(H2,29,31)(H,30,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126513 (2-{5-[(6-Amino-2-methyl-pyridin-3-ylmethyl)-carbam...) Show SMILES Cc1nc(N)ccc1CNC(=O)C1C=CCn2n1c(=O)n(C(CSC1CCCCC1)C(O)=O)c2=O |c:14| Show InChI InChI=1S/C23H30N6O5S/c1-14-15(9-10-19(24)26-14)12-25-20(30)17-8-5-11-27-22(33)28(23(34)29(17)27)18(21(31)32)13-35-16-6-3-2-4-7-16/h5,8-10,16-18H,2-4,6-7,11-13H2,1H3,(H2,24,26)(H,25,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126506 (2-{5-[(4-Amino-cyclohexylmethyl)-carbamoyl]-1,3-di...) Show SMILES N[C@H]1CC[C@H](CNC(=O)C2C=CCn3n2c(=O)n(C(CSc2ccc(Cl)c(Cl)c2)C(O)=O)c3=O)CC1 |wU:4.4,wD:1.0,c:10,(12.79,-3.95,;11.44,-3.18,;11.46,-1.64,;10.13,-.86,;8.8,-1.63,;7.45,-.86,;6.12,-1.63,;4.78,-.86,;3.45,-1.63,;4.78,.68,;6.12,1.45,;6.12,3,;4.78,3.77,;3.45,3,;3.45,1.45,;1.98,.97,;1.5,-.49,;1.07,2.23,;-.47,2.23,;-1.24,.9,;-2.78,.9,;-3.56,-.43,;-2.78,-1.76,;-3.56,-3.09,;-5.1,-3.09,;-5.87,-4.43,;-5.86,-1.76,;-7.4,-1.76,;-5.09,-.43,;-1.24,3.56,;-2.78,3.56,;-.47,4.89,;1.98,3.48,;1.5,4.94,;8.78,-3.18,;10.11,-3.95,)| Show InChI InChI=1S/C23H27Cl2N5O5S/c24-16-8-7-15(10-17(16)25)36-12-19(21(32)33)29-22(34)28-9-1-2-18(30(28)23(29)35)20(31)27-11-13-3-5-14(26)6-4-13/h1-2,7-8,10,13-14,18-19H,3-6,9,11-12,26H2,(H,27,31)(H,32,33)/t13-,14-,18?,19?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126510 (2-{5-[(6-Amino-2-methyl-pyridin-3-ylmethyl)-carbam...) Show SMILES Cc1nc(N)ccc1CNC(=O)C1C=CCn2n1c(=O)n(C(CSc1ccccc1)C(O)=O)c2=O |c:14| Show InChI InChI=1S/C23H24N6O5S/c1-14-15(9-10-19(24)26-14)12-25-20(30)17-8-5-11-27-22(33)28(23(34)29(17)27)18(21(31)32)13-35-16-6-3-2-4-7-16/h2-10,17-18H,11-13H2,1H3,(H2,24,26)(H,25,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071564 (2,2-Diallyl-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-...) Show SMILES CC1=CC(N2N(C1)C(=O)C(CC=C)(CC=C)C2=O)C(=O)NC(CCCCN)C(=O)C(=O)NCCc1ccc(cc1)C(N)=O |t:1| Show InChI InChI=1S/C31H40N6O6/c1-4-14-31(15-5-2)29(42)36-19-20(3)18-24(37(36)30(31)43)27(40)35-23(8-6-7-16-32)25(38)28(41)34-17-13-21-9-11-22(12-10-21)26(33)39/h4-5,9-12,18,23-24H,1-2,6-8,13-17,19,32H2,3H3,(H2,33,39)(H,34,41)(H,35,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126501 (2-[1-(3,4-Dichloro-phenylsulfanylmethyl)-2-oxo-2-p...) Show SMILES Cc1nc(N)ccc1CNC(=O)C1C=CCn2n1c(=O)n(C(CSc1ccc(Cl)c(Cl)c1)C(=O)N1CCCC1)c2=O |c:14| Show InChI InChI=1S/C27H29Cl2N7O4S/c1-16-17(6-9-23(30)32-16)14-31-24(37)21-5-4-12-34-26(39)35(27(40)36(21)34)22(25(38)33-10-2-3-11-33)15-41-18-7-8-19(28)20(29)13-18/h4-9,13,21-22H,2-3,10-12,14-15H2,1H3,(H2,30,32)(H,31,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM50071572 (8-{5-Amino-1-[2-(4-carbamoyl-phenyl)-ethylaminooxa...) Show SMILES COC(=O)C1C(CCc2ccccc2)=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc2ccc(cc2)C(N)=O)n2n1c(=O)n(Cc1cc(F)ccc1F)c2=O |c:14| Show InChI InChI=1S/C40H43F2N7O8/c1-57-38(54)33-27(15-12-24-7-3-2-4-8-24)22-32(48-39(55)47(40(56)49(33)48)23-28-21-29(41)16-17-30(28)42)36(52)46-31(9-5-6-19-43)34(50)37(53)45-20-18-25-10-13-26(14-11-25)35(44)51/h2-4,7-8,10-11,13-14,16-17,21-22,31-33H,5-6,9,12,15,18-20,23,43H2,1H3,(H2,44,51)(H,45,53)(H,46,52)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Kallikrein				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126503 (2-{5-[(6-Amino-2-methyl-pyridin-3-ylmethyl)-carbam...) Show SMILES Cc1nc(N)ccc1CNC(=O)C1C=CCn2n1c(=O)n(C(CSc1ccc(Cl)c(Cl)c1)C(O)=O)c2=O |c:14| Show InChI InChI=1S/C23H22Cl2N6O5S/c1-12-13(4-7-19(26)28-12)10-27-20(32)17-3-2-8-29-22(35)30(23(36)31(17)29)18(21(33)34)11-37-14-5-6-15(24)16(25)9-14/h2-7,9,17-18H,8,10-11H2,1H3,(H2,26,28)(H,27,32)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126516 (2-[1-(4-Chloro-phenylsulfanylmethyl)-2-oxo-2-pyrro...) Show SMILES Cc1nc(N)ccc1CNC(=O)C1C=CCn2n1c(=O)n(C(CSc1ccc(Cl)cc1)C(=O)N1CCCC1)c2=O |c:14| Show InChI InChI=1S/C27H30ClN7O4S/c1-17-18(6-11-23(29)31-17)15-30-24(36)21-5-4-14-33-26(38)34(27(39)35(21)33)22(25(37)32-12-2-3-13-32)16-40-20-9-7-19(28)8-10-20/h4-11,21-22H,2-3,12-16H2,1H3,(H2,29,31)(H,30,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126522 (2-{5-[(6-Amino-2-methyl-pyridin-3-ylmethyl)-carbam...) Show SMILES CCOC(=O)C(CSc1ccc(Cl)c(Cl)c1)n1c(=O)n2CC=CC(C(=O)NCc3ccc(N)nc3C)n2c1=O |c:22| Show InChI InChI=1S/C25H26Cl2N6O5S/c1-3-38-23(35)20(13-39-16-7-8-17(26)18(27)11-16)32-24(36)31-10-4-5-19(33(31)25(32)37)22(34)29-12-15-6-9-21(28)30-14(15)2/h4-9,11,19-20H,3,10,12-13H2,1-2H3,(H2,28,30)(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126511 (2-{5-[(6-Amino-2-methyl-pyridin-3-ylmethyl)-carbam...) Show SMILES COC(=O)C(CSC1CCCCC1)n1c(=O)n2CC=CC(C(=O)NCc3ccc(N)nc3C)n2c1=O |c:19| Show InChI InChI=1S/C24H32N6O5S/c1-15-16(10-11-20(25)27-15)13-26-21(31)18-9-6-12-28-23(33)29(24(34)30(18)28)19(22(32)35-2)14-36-17-7-4-3-5-8-17/h6,9-11,17-19H,3-5,7-8,12-14H2,1-2H3,(H2,25,27)(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair

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