Compile Data Set for Download or QSAR

Found 41 hits of ki data for polymerid = 5525   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prothrombin (Rattus norvegicus)	BDBM50072740 ((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)C(=O)CCc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C26H33N7O4S/c27-26(28)30-12-4-7-19(23(36)25-29-13-14-38-25)31-24(37)20-10-9-18-15-32(16-22(35)33(18)20)21(34)11-8-17-5-2-1-3-6-17/h1-3,5-6,13-14,18-20H,4,7-12,15-16H2,(H,31,37)(H4,27,28,30)/t18-,19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire BioChem Inc. Curated by ChEMBL					Assay Description In vitro ability of the compound to inhibit the amidolytic activity of thrombin				Bioorg Med Chem Lett 11: 3161-4 (2001) BindingDB Entry DOI: 10.7270/Q2JM28XZ
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM50107062 ((6S,8aS)-4-Oxo-2-phenylmethanesulfonyl-octahydro-p...) Show SMILES Cc1cc(ccc1CNC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)C(N)=N Show InChI InChI=1S/C24H29N5O4S/c1-16-11-18(23(25)26)7-8-19(16)12-27-24(31)21-10-9-20-13-28(14-22(30)29(20)21)34(32,33)15-17-5-3-2-4-6-17/h2-8,11,20-21H,9-10,12-15H2,1H3,(H3,25,26)(H,27,31)/t20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire BioChem Inc. Curated by ChEMBL					Assay Description In vitro ability of the compound to inhibit the amidolytic activity of thrombin				Bioorg Med Chem Lett 11: 3161-4 (2001) BindingDB Entry DOI: 10.7270/Q2JM28XZ
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM50107060 ((6S,8aS)-4-Oxo-2-phenylmethanesulfonyl-octahydro-p...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CC[C@H]3CN(CC(=O)N23)S(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C23H27N5O4S/c24-22(25)18-8-6-16(7-9-18)12-26-23(30)20-11-10-19-13-27(14-21(29)28(19)20)33(31,32)15-17-4-2-1-3-5-17/h1-9,19-20H,10-15H2,(H3,24,25)(H,26,30)/t19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire BioChem Inc. Curated by ChEMBL					Assay Description In vitro ability of the compound to inhibit the amidolytic activity of thrombin				Bioorg Med Chem Lett 11: 3161-4 (2001) BindingDB Entry DOI: 10.7270/Q2JM28XZ
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM50107064 ((6S,8aS)-4-Oxo-2-phenylmethanesulfonyl-octahydro-p...) Show SMILES ONC(=N)N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(CC(=O)N23)S(=O)(=O)Cc2ccccc2)CC1 Show InChI InChI=1S/C22H32N6O5S/c23-22(25-31)26-10-8-16(9-11-26)12-24-21(30)19-7-6-18-13-27(14-20(29)28(18)19)34(32,33)15-17-4-2-1-3-5-17/h1-5,16,18-19,31H,6-15H2,(H2,23,25)(H,24,30)/t18-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire BioChem Inc. Curated by ChEMBL					Assay Description In vitro ability of the compound to inhibit the amidolytic activity of thrombin				Bioorg Med Chem Lett 11: 3161-4 (2001) BindingDB Entry DOI: 10.7270/Q2JM28XZ
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM50107063 ((6S,8aS)-4-Oxo-2-phenylmethanesulfonyl-octahydro-p...) Show SMILES NC(=N)N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(CC(=O)N23)S(=O)(=O)Cc2ccccc2)CC1 Show InChI InChI=1S/C22H32N6O4S/c23-22(24)26-10-8-16(9-11-26)12-25-21(30)19-7-6-18-13-27(14-20(29)28(18)19)33(31,32)15-17-4-2-1-3-5-17/h1-5,16,18-19H,6-15H2,(H3,23,24)(H,25,30)/t18-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire BioChem Inc. Curated by ChEMBL					Assay Description In vitro ability of the compound to inhibit the amidolytic activity of thrombin				Bioorg Med Chem Lett 11: 3161-4 (2001) BindingDB Entry DOI: 10.7270/Q2JM28XZ
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM50107067 ((S)-4-Oxo-2-phenylmethanesulfonyl-octahydro-pyrrol...) Show SMILES N[C@H]1CC[C@H](CNC(=O)C2CC[C@H]3CN(CC(=O)N23)S(=O)(=O)Cc2ccccc2)CC1 |wU:1.0,wD:12.19,4.4,(11.82,-10.59,;12.85,-9.45,;12.38,-7.98,;13.41,-6.84,;14.9,-7.16,;15.93,-5.99,;15.44,-4.54,;13.94,-4.22,;12.92,-5.38,;13.45,-2.76,;14.34,-1.5,;13.43,-.27,;11.98,-.75,;10.65,.02,;9.31,-.76,;9.31,-2.3,;10.65,-3.06,;10.65,-4.61,;11.98,-2.29,;7.98,,;8.73,1.35,;7.19,-1.33,;6.63,.77,;5.29,,;5.29,-1.52,;3.98,-2.3,;2.63,-1.53,;2.63,.02,;3.96,.8,;15.39,-8.61,;14.37,-9.77,)| Show InChI InChI=1S/C22H32N4O4S/c23-18-8-6-16(7-9-18)12-24-22(28)20-11-10-19-13-25(14-21(27)26(19)20)31(29,30)15-17-4-2-1-3-5-17/h1-5,16,18-20H,6-15,23H2,(H,24,28)/t16-,18-,19-,20?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire BioChem Inc. Curated by ChEMBL					Assay Description In vitro ability of the compound to inhibit the amidolytic activity of thrombin				Bioorg Med Chem Lett 11: 3161-4 (2001) BindingDB Entry DOI: 10.7270/Q2JM28XZ
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98590 ((2S)-3-benzyloxy-2-[[(2R)-2-(benzylsulfonylamino)-...) Show SMILES CC(OCc1ccccc1)[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C29H35N5O6S/c1-20(40-18-22-8-4-2-5-9-22)26(29(37)32-16-21-12-14-24(15-13-21)27(30)31)33-28(36)25(17-35)34-41(38,39)19-23-10-6-3-7-11-23/h2-15,20,25-26,34-35H,16-19H2,1H3,(H3,30,31)(H,32,37)(H,33,36)/t20?,25-,26+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	100	-9.51	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM50107066 ((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...) Show SMILES NC(=N)N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(CC(=O)N23)C(=O)CCc2ccccc2)CC1 Show InChI InChI=1S/C24H34N6O3/c25-24(26)28-12-10-18(11-13-28)14-27-23(33)20-8-7-19-15-29(16-22(32)30(19)20)21(31)9-6-17-4-2-1-3-5-17/h1-5,18-20H,6-16H2,(H3,25,26)(H,27,33)/t19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire BioChem Inc. Curated by ChEMBL					Assay Description In vitro ability of the compound to inhibit the amidolytic activity of thrombin				Bioorg Med Chem Lett 11: 3161-4 (2001) BindingDB Entry DOI: 10.7270/Q2JM28XZ
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98587 ((2R)-N-[(1S)-1-(benzyloxymethyl)-2-[(4-carbamimido...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](COCc2ccccc2)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C28H33N5O6S/c29-26(30)23-13-11-20(12-14-23)15-31-27(35)25(18-39-17-21-7-3-1-4-8-21)32-28(36)24(16-34)33-40(37,38)19-22-9-5-2-6-10-22/h1-14,24-25,33-34H,15-19H2,(H3,29,30)(H,31,35)(H,32,36)/t24-,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	US Patent	480	-8.59	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98588 ((2S)-3-amino-2-[[(2R)-2-(benzylsulfonylamino)-3-hy...) Show SMILES NC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H28N6O5S/c22-10-17(20(29)25-11-14-6-8-16(9-7-14)19(23)24)26-21(30)18(12-28)27-33(31,32)13-15-4-2-1-3-5-15/h1-9,17-18,27-28H,10-13,22H2,(H3,23,24)(H,25,29)(H,26,30)/t17-,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	780	-8.30	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM50107065 ((S)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo...) Show SMILES NC(=N)NCCCCNC(=O)C1CC[C@H]2CN(CC(=O)N12)C(=O)CCc1ccccc1 Show InChI InChI=1S/C22H32N6O3/c23-22(24)26-13-5-4-12-25-21(31)18-10-9-17-14-27(15-20(30)28(17)18)19(29)11-8-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,25,31)(H4,23,24,26)/t17-,18?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire BioChem Inc. Curated by ChEMBL					Assay Description In vitro ability of the compound to inhibit the amidolytic activity of thrombin				Bioorg Med Chem Lett 11: 3161-4 (2001) BindingDB Entry DOI: 10.7270/Q2JM28XZ
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM50107061 ((6S,8aS)-4-Oxo-2-phenylmethanesulfonyl-octahydro-p...) Show SMILES O=C(NCc1ccc2nc[nH]c2c1)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C23H25N5O4S/c29-22-13-27(33(31,32)14-16-4-2-1-3-5-16)12-18-7-9-21(28(18)22)23(30)24-11-17-6-8-19-20(10-17)26-15-25-19/h1-6,8,10,15,18,21H,7,9,11-14H2,(H,24,30)(H,25,26)/t18-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire BioChem Inc. Curated by ChEMBL					Assay Description In vitro ability of the compound to inhibit the amidolytic activity of thrombin				Bioorg Med Chem Lett 11: 3161-4 (2001) BindingDB Entry DOI: 10.7270/Q2JM28XZ
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM50107059 ((6S,8aS)-4-Oxo-2-phenylmethanesulfonyl-octahydro-p...) Show SMILES ON[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3CN(CC(=O)N23)S(=O)(=O)Cc2ccccc2)CC1 |wU:10.9,2.1,wD:13.20,5.5,(12.31,-11.49,;11.82,-10.02,;12.85,-8.87,;12.38,-7.41,;13.41,-6.27,;14.9,-6.57,;15.93,-5.43,;15.44,-3.95,;13.94,-3.65,;12.92,-4.79,;13.45,-2.17,;14.34,-.94,;13.43,.3,;11.98,-.17,;10.65,.6,;9.31,-.17,;9.31,-1.73,;10.65,-2.49,;10.65,-4.03,;11.98,-1.71,;7.98,.58,;8.73,1.92,;7.19,-.75,;6.63,1.36,;5.29,.58,;3.96,1.36,;2.63,.58,;2.63,-.96,;3.98,-1.73,;5.29,-.94,;15.39,-8.04,;14.37,-9.19,)| Show InChI InChI=1S/C22H32N4O5S/c27-21-14-25(32(30,31)15-17-4-2-1-3-5-17)13-19-10-11-20(26(19)21)22(28)23-12-16-6-8-18(24-29)9-7-16/h1-5,16,18-20,24,29H,6-15H2,(H,23,28)/t16-,18-,19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire BioChem Inc. Curated by ChEMBL					Assay Description In vitro ability of the compound to inhibit the amidolytic activity of thrombin				Bioorg Med Chem Lett 11: 3161-4 (2001) BindingDB Entry DOI: 10.7270/Q2JM28XZ
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98601 ((2S)-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)...) Show SMILES NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)NCCCC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C44H72N8O15S/c45-13-16-60-18-20-62-22-24-64-26-28-66-29-27-65-25-23-63-21-19-61-17-15-49-41(55)33-67-32-40(54)48-14-5-4-8-38(43(56)50-30-35-9-11-37(12-10-35)42(46)47)51-44(57)39(31-53)52-68(58,59)34-36-6-2-1-3-7-36/h1-3,6-7,9-12,38-39,52-53H,4-5,8,13-34,45H2,(H3,46,47)(H,48,54)(H,49,55)(H,50,56)(H,51,57)/t38-,39+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40E+3	-7.95	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98598 ((2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-o...) Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccncc2)cc1 Show InChI InChI=1S/C19H24N6O5S/c20-18(21)15-3-1-13(2-4-15)9-23-17(27)10-24-19(28)16(11-26)25-31(29,30)12-14-5-7-22-8-6-14/h1-8,16,25-26H,9-12H2,(H3,20,21)(H,23,27)(H,24,28)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.60E+3	-7.87	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98583 (4-[[(1R)-2-[[(1S)-2-[(4-carbamimidoylphenyl)methyl...) Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccc(cc1)C(O)=O)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C22H27N5O7S/c1-13(20(29)25-10-14-2-6-16(7-3-14)19(23)24)26-21(30)18(11-28)27-35(33,34)12-15-4-8-17(9-5-15)22(31)32/h2-9,13,18,27-28H,10-12H2,1H3,(H3,23,24)(H,25,29)(H,26,30)(H,31,32)/t13-,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.30E+3	-7.66	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98589 ((2S)-2-[[(2R)-2-(benzylsulfonylamino)-3-hydroxy-pr...) Show SMILES CC(O)[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C22H29N5O6S/c1-14(29)19(22(31)25-11-15-7-9-17(10-8-15)20(23)24)26-21(30)18(12-28)27-34(32,33)13-16-5-3-2-4-6-16/h2-10,14,18-19,27-29H,11-13H2,1H3,(H3,23,24)(H,25,31)(H,26,30)/t14?,18-,19+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.00E+3	-7.33	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98581 (US8476306, 6.6 | methyl 2-[[(1R)-2-[[2-[(4-carbami...) Show SMILES COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C22H27N5O7S/c1-34-22(31)17-5-3-2-4-16(17)13-35(32,33)27-18(12-28)21(30)26-11-19(29)25-10-14-6-8-15(9-7-14)20(23)24/h2-9,18,27-28H,10-13H2,1H3,(H3,23,24)(H,25,29)(H,26,30)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.00E+3	-7.33	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98593 (US8476306, 6.19 | methyl 4-[[(1R)-2-[[(1S)-2-[(4-c...) Show SMILES COC(=O)c1ccc(CS(=O)(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)NCc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C23H29N5O8S/c1-36-23(33)17-8-4-15(5-9-17)13-37(34,35)28-19(12-30)22(32)27-18(11-29)21(31)26-10-14-2-6-16(7-3-14)20(24)25/h2-9,18-19,28-30H,10-13H2,1H3,(H3,24,25)(H,26,31)(H,27,32)/t18-,19+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.20E+3	-7.31	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98599 ((2S)-6-amino-2-[[(2R)-2-(benzylsulfonylamino)-3-hy...) Show SMILES NCCCC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C24H34N6O5S/c25-13-5-4-8-20(23(32)28-14-17-9-11-19(12-10-17)22(26)27)29-24(33)21(15-31)30-36(34,35)16-18-6-2-1-3-7-18/h1-3,6-7,9-12,20-21,30-31H,4-5,8,13-16,25H2,(H3,26,27)(H,28,32)(H,29,33)/t20-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.30E+3	-7.29	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98600 ((2S)-2-[[(2R)-2-(benzylsulfonylamino)-3-hydroxy-pr...) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C24H34N8O5S/c25-21(26)18-10-8-16(9-11-18)13-30-22(34)19(7-4-12-29-24(27)28)31-23(35)20(14-33)32-38(36,37)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19-20,32-33H,4,7,12-15H2,(H3,25,26)(H,30,34)(H,31,35)(H4,27,28,29)/t19-,20+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.70E+3	-7.24	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98596 ((2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-o...) Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H24FN5O5S/c21-16-7-3-14(4-8-16)12-32(30,31)26-17(11-27)20(29)25-10-18(28)24-9-13-1-5-15(6-2-13)19(22)23/h1-8,17,26-27H,9-12H2,(H3,22,23)(H,24,28)(H,25,29)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.90E+3	-6.93	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98594 ((2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-o...) Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H24ClN5O5S/c21-16-7-3-14(4-8-16)12-32(30,31)26-17(11-27)20(29)25-10-18(28)24-9-13-1-5-15(6-2-13)19(22)23/h1-8,17,26-27H,9-12H2,(H3,22,23)(H,24,28)(H,25,29)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.90E+3	-6.93	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98586 ((2R)-2-[[4-(aminomethyl)phenyl]methylsulfonylamino...) Show SMILES NCc1ccc(CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C21H28N6O5S/c22-9-14-1-3-16(4-2-14)13-33(31,32)27-18(12-28)21(30)26-11-19(29)25-10-15-5-7-17(8-6-15)20(23)24/h1-8,18,27-28H,9-13,22H2,(H3,23,24)(H,25,29)(H,26,30)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.00E+3	-6.93	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98595 ((2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-o...) Show SMILES Cc1ccc(CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C21H27N5O5S/c1-14-2-4-16(5-3-14)13-32(30,31)26-18(12-27)21(29)25-11-19(28)24-10-15-6-8-17(9-7-15)20(22)23/h2-9,18,26-27H,10-13H2,1H3,(H3,22,23)(H,24,28)(H,25,29)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.00E+3	-6.93	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98597 ((2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-o...) Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C20H23Cl2N5O5S/c21-15-6-3-13(7-16(15)22)11-33(31,32)27-17(10-28)20(30)26-9-18(29)25-8-12-1-4-14(5-2-12)19(23)24/h1-7,17,27-28H,8-11H2,(H3,23,24)(H,25,29)(H,26,30)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.30E+3	-6.90	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98584 (3-[[(1R)-2-[[(1S)-2-[(4-carbamimidoylphenyl)methyl...) Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1cccc(c1)C(O)=O)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C22H27N5O7S/c1-13(20(29)25-10-14-5-7-16(8-6-14)19(23)24)26-21(30)18(11-28)27-35(33,34)12-15-3-2-4-17(9-15)22(31)32/h2-9,13,18,27-28H,10-12H2,1H3,(H3,23,24)(H,25,29)(H,26,30)(H,31,32)/t13-,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.30E+3	-6.90	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98603 (3-amino-N-[4-[[(2S)-2-[[(2R)-2-(benzylsulfonylamin...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C24H29N7O5S/c25-22(26)18-8-6-16(7-9-18)11-28-23(33)20(10-19-12-27-15-29-19)30-24(34)21(13-32)31-37(35,36)14-17-4-2-1-3-5-17/h1-9,12,15,20-21,31-32H,10-11,13-14H2,(H3,25,26)(H,27,29)(H,28,33)(H,30,34)/t20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.50E+3	-6.89	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98585 ((2R)-N-[(1S)-2-[(4-carbamimidoylphenyl)methylamino...) Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccc(cc1)C#N)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C22H26N6O5S/c1-14(21(30)26-11-16-6-8-18(9-7-16)20(24)25)27-22(31)19(12-29)28-34(32,33)13-17-4-2-15(10-23)3-5-17/h2-9,14,19,28-29H,11-13H2,1H3,(H3,24,25)(H,26,30)(H,27,31)/t14-,19+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.50E+3	-6.89	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98579 (US8476306, 6.4 | methyl 4-[[(1R)-2-[[2-[(4-carbami...) Show SMILES COC(=O)c1ccc(CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C22H27N5O7S/c1-34-22(31)17-8-4-15(5-9-17)13-35(32,33)27-18(12-28)21(30)26-11-19(29)25-10-14-2-6-16(7-3-14)20(23)24/h2-9,18,27-28H,10-13H2,1H3,(H3,23,24)(H,25,29)(H,26,30)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9.40E+3	-6.83	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98602 (3-amino-N-[4-[[2-[[(2R)-3-amino-2-(benzylsulfonyla...) Show SMILES NC(CNS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C20H26N6O4S/c21-17(11-26-31(29,30)13-15-4-2-1-3-5-15)20(28)25-12-18(27)24-10-14-6-8-16(9-7-14)19(22)23/h1-9,17,26H,10-13,21H2,(H3,22,23)(H,24,27)(H,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.00E+4	-6.79	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM50107058 ((6S,8aS)-4-Oxo-2-phenylmethanesulfonyl-octahydro-p...) Show SMILES ONC(=N)c1ccc(CNC(=O)[C@@H]2CC[C@H]3CN(CC(=O)N23)S(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C23H27N5O5S/c24-22(26-31)18-8-6-16(7-9-18)12-25-23(30)20-11-10-19-13-27(14-21(29)28(19)20)34(32,33)15-17-4-2-1-3-5-17/h1-9,19-20,31H,10-15H2,(H2,24,26)(H,25,30)/t19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire BioChem Inc. Curated by ChEMBL					Assay Description In vitro ability of the compound to inhibit the amidolytic activity of thrombin				Bioorg Med Chem Lett 11: 3161-4 (2001) BindingDB Entry DOI: 10.7270/Q2JM28XZ
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM50110015 (CHEMBL158936 | N-(BENZYLSULFONYL)SERYL-N~1~-{4-[AM...) Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C20H25N5O5S/c21-19(22)16-8-6-14(7-9-16)10-23-18(27)11-24-20(28)17(12-26)25-31(29,30)13-15-4-2-1-3-5-15/h1-9,17,25-26H,10-13H2,(H3,21,22)(H,23,27)(H,24,28)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	US Patent	1.30E+4	-6.64	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM50231520 ((R)-N-[(S)-1-(4-carbamimidoyl-benzylcarbamoyl)-2-h...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CO)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C21H27N5O6S/c22-19(23)16-8-6-14(7-9-16)10-24-20(29)17(11-27)25-21(30)18(12-28)26-33(31,32)13-15-4-2-1-3-5-15/h1-9,17-18,26-28H,10-13H2,(H3,22,23)(H,24,29)(H,25,30)/t17-,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	1.40E+4	-6.59	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM50110015 (CHEMBL158936 | N-(BENZYLSULFONYL)SERYL-N~1~-{4-[AM...) Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C20H25N5O5S/c21-19(22)16-8-6-14(7-9-16)10-23-18(27)11-24-20(28)17(12-26)25-31(29,30)13-15-4-2-1-3-5-15/h1-9,17,25-26H,10-13H2,(H3,21,22)(H,23,27)(H,24,28)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	US Patent	4.20E+4	-5.95	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98582 (2-[[(1R)-2-[[2-[(4-carbamimidoylphenyl)methylamino...) Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C21H25N5O7S/c22-19(23)14-7-5-13(6-8-14)9-24-18(28)10-25-20(29)17(11-27)26-34(32,33)12-15-3-1-2-4-16(15)21(30)31/h1-8,17,26-27H,9-12H2,(H3,22,23)(H,24,28)(H,25,29)(H,30,31)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.60E+4	-5.78	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98604 (2-[4-[[(1R)-2-[[2-[4-[(3-amino-4-methoxy-benzoyl)a...) Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@H](CO)NS(=O)(=O)Cc2ccc(CC(O)=O)cc2)cc1 Show InChI InChI=1S/C22H27N5O7S/c23-21(24)17-7-5-15(6-8-17)10-25-19(29)11-26-22(32)18(12-28)27-35(33,34)13-16-3-1-14(2-4-16)9-20(30)31/h1-8,18,27-28H,9-13H2,(H3,23,24)(H,25,29)(H,26,32)(H,30,31)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	6.00E+4	-5.74	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98592 (4-[[(1R)-2-[[(1S)-2-[(4-carbamimidoylphenyl)methyl...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CO)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C22H27N5O8S/c23-19(24)15-5-1-13(2-6-15)9-25-20(30)17(10-28)26-21(31)18(11-29)27-36(34,35)12-14-3-7-16(8-4-14)22(32)33/h1-8,17-18,27-29H,9-12H2,(H3,23,24)(H,25,30)(H,26,31)(H,32,33)/t17-,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20E+5	-5.33	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98578 (3-[[(1R)-2-[[2-[(4-carbamimidoylphenyl)methylamino...) Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C21H25N5O7S/c22-19(23)15-6-4-13(5-7-15)9-24-18(28)10-25-20(29)17(11-27)26-34(32,33)12-14-2-1-3-16(8-14)21(30)31/h1-8,17,26-27H,9-12H2,(H3,22,23)(H,24,28)(H,25,29)(H,30,31)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.50E+5	-5.20	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98580 (4-[[(1R)-2-[[2-[(4-carbamimidoylphenyl)methylamino...) Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C21H25N5O7S/c22-19(23)15-5-1-13(2-6-15)9-24-18(28)10-25-20(29)17(11-27)26-34(32,33)12-14-3-7-16(8-4-14)21(30)31/h1-8,17,26-27H,9-12H2,(H3,22,23)(H,24,28)(H,25,29)(H,30,31)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70E+5	-5.12	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Prothrombin (Rattus norvegicus)	BDBM98591 (3-[[(1R)-2-[[(1S)-2-[(4-carbamimidoylphenyl)methyl...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CO)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C22H27N5O8S/c23-19(24)15-6-4-13(5-7-15)9-25-20(30)17(10-28)26-21(31)18(11-29)27-36(34,35)12-14-2-1-3-16(8-14)22(32)33/h1-8,17-18,27-29H,9-12H2,(H3,23,24)(H,25,30)(H,26,31)(H,32,33)/t17-,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.00E+5	-5.03	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair