Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50005627   

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))	BDBM50039010 ((S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-phenyl-p...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)c1nccs1 Show InChI InChI=1S/C32H49N7O4S/c1-21(2)18-25(29(42)38-24(19-22-10-5-3-6-11-22)28(41)31-35-16-17-44-31)39-30(43)26(20-23-12-7-4-8-13-23)37-27(40)14-9-15-36-32(33)34/h4,7-8,12-13,16-17,21-22,24-26,28,41H,3,5-6,9-11,14-15,18-20H2,1-2H3,(H,37,40)(H,38,42)(H,39,43)(H4,33,34,36)/t24-,25-,26-,28+/m0/s1	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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity for thrombin was reported				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C21H32N6O3/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25)/t16-,17+,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against trypsin was determined				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C21H32N6O3/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25)/t16-,17+,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against thrombin was determined				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50039010 ((S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-phenyl-p...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)c1nccs1 Show InChI InChI=1S/C32H49N7O4S/c1-21(2)18-25(29(42)38-24(19-22-10-5-3-6-11-22)28(41)31-35-16-17-44-31)39-30(43)26(20-23-12-7-4-8-13-23)37-27(40)14-9-15-36-32(33)34/h4,7-8,12-13,16-17,21-22,24-26,28,41H,3,5-6,9-11,14-15,18-20H2,1-2H3,(H,37,40)(H,38,42)(H,39,43)(H4,33,34,36)/t24-,25-,26-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against thrombin was determined				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C21H32N6O3/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25)/t16-,17+,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against plasmid was determined				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50039007 ((S)-2-{(S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-p...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(N)=N Show InChI InChI=1S/C30H42N6O5/c1-20(2)17-23(27(38)36-25(29(40)41-3)19-22-13-8-5-9-14-22)35-28(39)24(18-21-11-6-4-7-12-21)34-26(37)15-10-16-33-30(31)32/h4-9,11-14,20,23-25H,10,15-19H2,1-3H3,(H,34,37)(H,35,39)(H,36,38)(H4,31,32,33)/t23-,24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against thrombin with 10 uM substrate s-2238 (D-Phe-Pip-Arg-pNA)				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50039010 ((S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-phenyl-p...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)c1nccs1 Show InChI InChI=1S/C32H49N7O4S/c1-21(2)18-25(29(42)38-24(19-22-10-5-3-6-11-22)28(41)31-35-16-17-44-31)39-30(43)26(20-23-12-7-4-8-13-23)37-27(40)14-9-15-36-32(33)34/h4,7-8,12-13,16-17,21-22,24-26,28,41H,3,5-6,9-11,14-15,18-20H2,1-2H3,(H,37,40)(H,38,42)(H,39,43)(H4,33,34,36)/t24-,25-,26-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against trypsin was determined				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50039021 ((S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-phenyl-p...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(N)=N)C(=O)N[C@H](CO)Cc1ccccc1 Show InChI InChI=1S/C29H42N6O4/c1-20(2)16-24(27(38)33-23(19-36)17-21-10-5-3-6-11-21)35-28(39)25(18-22-12-7-4-8-13-22)34-26(37)14-9-15-32-29(30)31/h3-8,10-13,20,23-25,36H,9,14-19H2,1-2H3,(H,33,38)(H,34,37)(H,35,39)(H4,30,31,32)/t23-,24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against thrombin with 10 uM substrate s-2238 (D-Phe-Pip-Arg-pNA)				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C21H32N6O3/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25)/t16-,17+,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity of the compound against Factor Xa was determined				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50039010 ((S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-phenyl-p...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)c1nccs1 Show InChI InChI=1S/C32H49N7O4S/c1-21(2)18-25(29(42)38-24(19-22-10-5-3-6-11-22)28(41)31-35-16-17-44-31)39-30(43)26(20-23-12-7-4-8-13-23)37-27(40)14-9-15-36-32(33)34/h4,7-8,12-13,16-17,21-22,24-26,28,41H,3,5-6,9-11,14-15,18-20H2,1-2H3,(H,37,40)(H,38,42)(H,39,43)(H4,33,34,36)/t24-,25-,26-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against Factor Xa was determined				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50039018 (6-Amino-hexanoic acid {(S)-1-[(S)-1-((1S,2R)-1-cyc...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)c1nccs1 Show InChI InChI=1S/C33H51N5O4S/c1-23(2)20-27(31(41)37-26(21-24-12-6-3-7-13-24)30(40)33-35-18-19-43-33)38-32(42)28(22-25-14-8-4-9-15-25)36-29(39)16-10-5-11-17-34/h4,8-9,14-15,18-19,23-24,26-28,30,40H,3,5-7,10-13,16-17,20-22,34H2,1-2H3,(H,36,39)(H,37,41)(H,38,42)/t26-,27-,28-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against thrombin with 10 uM substrate s-2238 (D-Phe-Pip-Arg-pNA)				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50039020 ((S)-7-Amino-3-({(S)-1-[(R)-2-(6-amino-hexanoylamin...) Show SMILES COC(=O)C(O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCCN Show InChI InChI=1S/C28H45N5O6/c1-39-28(38)25(35)21(13-7-9-17-30)32-26(36)23-14-10-18-33(23)27(37)22(19-20-11-4-2-5-12-20)31-24(34)15-6-3-8-16-29/h2,4-5,11-12,21-23,25,35H,3,6-10,13-19,29-30H2,1H3,(H,31,34)(H,32,36)/t21-,22+,23-,25?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against thrombin with 10 uM substrate s-2238 (D-Phe-Pip-Arg-pNA)				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50039016 ((S)-7-Amino-3-{[(S)-1-((R)-2-amino-3-phenyl-propio...) Show SMILES COC(=O)C(O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1 Show InChI InChI=1S/C22H34N4O5/c1-31-22(30)19(27)17(10-5-6-12-23)25-20(28)18-11-7-13-26(18)21(29)16(24)14-15-8-3-2-4-9-15/h2-4,8-9,16-19,27H,5-7,10-14,23-24H2,1H3,(H,25,28)/t16-,17+,18+,19?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against thrombin was determined, using a 10 microM substrate s-2238 (D-Phe-Pip-Arg-pNA); 20-30				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50039011 ((S)-2-{(S)-2-[(S)-2-(5-Amino-pentanoylamino)-3-phe...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN Show InChI InChI=1S/C30H42N4O5/c1-21(2)18-24(28(36)34-26(30(38)39-3)20-23-14-8-5-9-15-23)33-29(37)25(19-22-12-6-4-7-13-22)32-27(35)16-10-11-17-31/h4-9,12-15,21,24-26H,10-11,16-20,31H2,1-3H3,(H,32,35)(H,33,37)(H,34,36)/t24-,25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against thrombin with 10 uM substrate s-2238 (D-Phe-Pip-Arg-pNA)				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50039014 ((S)-2-{(S)-2-[(S)-2-(6-Amino-hexanoylamino)-3-phen...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN Show InChI InChI=1S/C31H44N4O5/c1-22(2)19-25(29(37)35-27(31(39)40-3)21-24-15-9-5-10-16-24)34-30(38)26(20-23-13-7-4-8-14-23)33-28(36)17-11-6-12-18-32/h4-5,7-10,13-16,22,25-27H,6,11-12,17-21,32H2,1-3H3,(H,33,36)(H,34,38)(H,35,37)/t25-,26-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against thrombin with 10 uM substrate s-2238 (D-Phe-Pip-Arg-pNA)				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50039012 ((S)-2-[(S)-2-(5-Amino-pentanoylamino)-3-phenyl-pro...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(=O)N[C@H](CO)Cc1ccccc1 Show InChI InChI=1S/C29H42N4O4/c1-21(2)17-25(28(36)31-24(20-34)18-22-11-5-3-6-12-22)33-29(37)26(19-23-13-7-4-8-14-23)32-27(35)15-9-10-16-30/h3-8,11-14,21,24-26,34H,9-10,15-20,30H2,1-2H3,(H,31,36)(H,32,35)(H,33,37)/t24-,25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against thrombin with 10 uM substrate s-2238 (D-Phe-Pip-Arg-pNA)				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50039010 ((S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-phenyl-p...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)c1nccs1 Show InChI InChI=1S/C32H49N7O4S/c1-21(2)18-25(29(42)38-24(19-22-10-5-3-6-11-22)28(41)31-35-16-17-44-31)39-30(43)26(20-23-12-7-4-8-13-23)37-27(40)14-9-15-36-32(33)34/h4,7-8,12-13,16-17,21-22,24-26,28,41H,3,5-6,9-11,14-15,18-20H2,1-2H3,(H,37,40)(H,38,42)(H,39,43)(H4,33,34,36)/t24-,25-,26-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.43E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against plasmin was determined				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50039008 ((S)-2-{(S)-2-[(S)-2-(5-Guanidino-pentanoylamino)-3...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCNC(N)=N Show InChI InChI=1S/C31H44N6O5/c1-21(2)18-24(28(39)37-26(30(41)42-3)20-23-14-8-5-9-15-23)36-29(40)25(19-22-12-6-4-7-13-22)35-27(38)16-10-11-17-34-31(32)33/h4-9,12-15,21,24-26H,10-11,16-20H2,1-3H3,(H,35,38)(H,36,40)(H,37,39)(H4,32,33,34)/t24-,25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.54E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against thrombin with 10 uM substrate s-2238 (D-Phe-Pip-Arg-pNA)				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50039017 ((S)-2-{(S)-2-[(S)-2-(6-Guanidino-hexanoylamino)-3-...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(N)=N Show InChI InChI=1S/C32H46N6O5/c1-22(2)19-25(29(40)38-27(31(42)43-3)21-24-15-9-5-10-16-24)37-30(41)26(20-23-13-7-4-8-14-23)36-28(39)17-11-6-12-18-35-32(33)34/h4-5,7-10,13-16,22,25-27H,6,11-12,17-21H2,1-3H3,(H,36,39)(H,37,41)(H,38,40)(H4,33,34,35)/t25-,26-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against thrombin with 10 uM substrate s-2238 (D-Phe-Pip-Arg-pNA)				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50039015 ((S)-2-{(S)-2-[(S)-2-(4-Amino-butyrylamino)-3-pheny...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN Show InChI InChI=1S/C29H40N4O5/c1-20(2)17-23(27(35)33-25(29(37)38-3)19-22-13-8-5-9-14-22)32-28(36)24(31-26(34)15-10-16-30)18-21-11-6-4-7-12-21/h4-9,11-14,20,23-25H,10,15-19,30H2,1-3H3,(H,31,34)(H,32,36)(H,33,35)/t23-,24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against thrombin with 10 uM substrate s-2238 (D-Phe-Pip-Arg-pNA)				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50039019 ((S)-2-{(S)-2-[(S)-2-(7-Amino-heptanoylamino)-3-phe...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCCN Show InChI InChI=1S/C32H46N4O5/c1-23(2)20-26(30(38)36-28(32(40)41-3)22-25-16-10-7-11-17-25)35-31(39)27(21-24-14-8-6-9-15-24)34-29(37)18-12-4-5-13-19-33/h6-11,14-17,23,26-28H,4-5,12-13,18-22,33H2,1-3H3,(H,34,37)(H,35,39)(H,36,38)/t26-,27-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against thrombin with 10 uM substrate s-2238 (D-Phe-Pip-Arg-pNA)				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50039013 ((S)-2-[(S)-2-((S)-2-Amino-3-phenyl-propionylamino)...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1 Show InChI InChI=1S/C25H33N3O4/c1-17(2)14-21(27-23(29)20(26)15-18-10-6-4-7-11-18)24(30)28-22(25(31)32-3)16-19-12-8-5-9-13-19/h4-13,17,20-22H,14-16,26H2,1-3H3,(H,27,29)(H,28,30)/t20-,21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against thrombin with 10 uM substrate s-2238 (D-Phe-Pip-Arg-pNA)				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50039009 ((S)-2-((S)-2-Amino-3-phenyl-propionylamino)-4-meth...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)c1nccs1 Show InChI InChI=1S/C27H40N4O3S/c1-18(2)15-23(31-25(33)21(28)16-19-9-5-3-6-10-19)26(34)30-22(17-20-11-7-4-8-12-20)24(32)27-29-13-14-35-27/h3,5-6,9-10,13-14,18,20-24,32H,4,7-8,11-12,15-17,28H2,1-2H3,(H,30,34)(H,31,33)/t21-,22-,23-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against thrombin with 10 uM substrate s-2238 (D-Phe-Pip-Arg-pNA)				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair