Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50041086   

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 (Bos taurus (Bovine))	BDBM50404531 (CHEMBL166822) Show SMILES C\C=C\COC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C22H31N5O4S/c1-4-5-15-31-21(28)18(11-8-14-25-22(23)24)26-32(29,30)20-13-7-9-16-17(20)10-6-12-19(16)27(2)3/h4-7,9-10,12-13,18,26H,8,11,14-15H2,1-3H3,(H4,23,24,25)/b5-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404530 (CHEMBL166995) Show SMILES CCCCOC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C22H33N5O4S/c1-4-5-15-31-21(28)18(11-8-14-25-22(23)24)26-32(29,30)20-13-7-9-16-17(20)10-6-12-19(16)27(2)3/h6-7,9-10,12-13,18,26H,4-5,8,11,14-15H2,1-3H3,(H4,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404506 (CHEMBL355622) Show SMILES CCCOC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C21H31N5O4S/c1-4-14-30-20(27)17(10-7-13-24-21(22)23)25-31(28,29)19-12-6-8-15-16(19)9-5-11-18(15)26(2)3/h5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1-3H3,(H4,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404522 (CHEMBL168689) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(CCCNC(N)=N)C(=O)OCCC#C Show InChI InChI=1S/C22H29N5O4S/c1-4-5-15-31-21(28)18(11-8-14-25-22(23)24)26-32(29,30)20-13-7-9-16-17(20)10-6-12-19(16)27(2)3/h1,6-7,9-10,12-13,18,26H,5,8,11,14-15H2,2-3H3,(H4,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404520 (CHEMBL167053) Show SMILES COCCOC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C21H31N5O5S/c1-26(2)18-10-4-8-16-15(18)7-5-11-19(16)32(28,29)25-17(9-6-12-24-21(22)23)20(27)31-14-13-30-3/h4-5,7-8,10-11,17,25H,6,9,12-14H2,1-3H3,(H4,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404516 (CHEMBL166790) Show SMILES CCOC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C20H29N5O4S/c1-4-29-19(26)16(10-7-13-23-20(21)22)24-30(27,28)18-12-6-8-14-15(18)9-5-11-17(14)25(2)3/h5-6,8-9,11-12,16,24H,4,7,10,13H2,1-3H3,(H4,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404511 (CHEMBL166334) Show SMILES CCCCCCOC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C24H37N5O4S/c1-4-5-6-7-17-33-23(30)20(13-10-16-27-24(25)26)28-34(31,32)22-15-9-11-18-19(22)12-8-14-21(18)29(2)3/h8-9,11-12,14-15,20,28H,4-7,10,13,16-17H2,1-3H3,(H4,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404518 (CHEMBL351664) Show SMILES CC(C)COC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C22H33N5O4S/c1-15(2)14-31-21(28)18(10-7-13-25-22(23)24)26-32(29,30)20-12-6-8-16-17(20)9-5-11-19(16)27(3)4/h5-6,8-9,11-12,15,18,26H,7,10,13-14H2,1-4H3,(H4,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404513 (CHEMBL166674) Show SMILES COC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C19H27N5O4S/c1-24(2)16-10-4-8-14-13(16)7-5-11-17(14)29(26,27)23-15(18(25)28-3)9-6-12-22-19(20)21/h4-5,7-8,10-11,15,23H,6,9,12H2,1-3H3,(H4,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404526 (CHEMBL350065) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(CCCNC(N)=N)C(=O)OCC1CCCO1 Show InChI InChI=1S/C23H33N5O5S/c1-28(2)20-11-3-9-18-17(20)8-4-12-21(18)34(30,31)27-19(10-5-13-26-23(24)25)22(29)33-15-16-7-6-14-32-16/h3-4,8-9,11-12,16,19,27H,5-7,10,13-15H2,1-2H3,(H4,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404523 (CHEMBL165880) Show SMILES CC(C)OC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C21H31N5O4S/c1-14(2)30-20(27)17(10-7-13-24-21(22)23)25-31(28,29)19-12-6-8-15-16(19)9-5-11-18(15)26(3)4/h5-6,8-9,11-12,14,17,25H,7,10,13H2,1-4H3,(H4,22,23,24)	PDB UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404527 (CHEMBL353733) Show SMILES CCCCCOC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C23H35N5O4S/c1-4-5-6-16-32-22(29)19(12-9-15-26-23(24)25)27-33(30,31)21-14-8-10-17-18(21)11-7-13-20(17)28(2)3/h7-8,10-11,13-14,19,27H,4-6,9,12,15-16H2,1-3H3,(H4,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404515 (CHEMBL353241) Show SMILES CCCCC(CC)COC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C26H41N5O4S/c1-5-7-11-19(6-2)18-35-25(32)22(14-10-17-29-26(27)28)30-36(33,34)24-16-9-12-20-21(24)13-8-15-23(20)31(3)4/h8-9,12-13,15-16,19,22,30H,5-7,10-11,14,17-18H2,1-4H3,(H4,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404505 (CHEMBL434874) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(CCCNC(N)=N)C(=O)OC1CCCCC1 Show InChI InChI=1S/C24H35N5O4S/c1-29(2)21-14-6-12-19-18(21)11-7-15-22(19)34(31,32)28-20(13-8-16-27-24(25)26)23(30)33-17-9-4-3-5-10-17/h6-7,11-12,14-15,17,20,28H,3-5,8-10,13,16H2,1-2H3,(H4,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404517 (CHEMBL354949) Show SMILES COC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2cc(ccc12)N(C)C Show InChI InChI=1S/C19H27N5O4S/c1-24(2)14-9-10-15-13(12-14)6-4-8-17(15)29(26,27)23-16(18(25)28-3)7-5-11-22-19(20)21/h4,6,8-10,12,16,23H,5,7,11H2,1-3H3,(H4,20,21,22)	PDB UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404529 (CHEMBL354968) Show SMILES COC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C14H22N4O5S/c1-22-10-5-7-11(8-6-10)24(20,21)18-12(13(19)23-2)4-3-9-17-14(15)16/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17)	PDB UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404519 (CHEMBL349867) Show SMILES COC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C17H22N4O4S/c1-25-16(22)15(7-4-10-20-17(18)19)21-26(23,24)14-9-8-12-5-2-3-6-13(12)11-14/h2-3,5-6,8-9,11,15,21H,4,7,10H2,1H3,(H4,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404509 (CHEMBL170274) Show SMILES CCC(COC(=O)C(CCC[N-]C(N)=[NH2+])NS(=O)(=O)c1cccc2c(cccc12)N(C)C)[N+]([O-])=O Show InChI InChI=1S/C22H31N6O6S/c1-4-15(28(30)31)14-34-21(29)18(10-7-13-25-22(23)24)26-35(32,33)20-12-6-8-16-17(20)9-5-11-19(16)27(2)3/h5-6,8-9,11-12,15,18,26H,4,7,10,13-14H2,1-3H3,(H3-,23,24,25)/q-1/p+1	PDB UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50070707 ((S)-5-Guanidino-2-(toluene-4-sulfonylamino)-pentan...) Show SMILES COC(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C14H22N4O4S/c1-10-5-7-11(8-6-10)23(20,21)18-12(13(19)22-2)4-3-9-17-14(15)16/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404507 (CHEMBL423263) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C18H25N5O4S/c1-23(2)15-9-3-7-13-12(15)6-4-10-16(13)28(26,27)22-14(17(24)25)8-5-11-21-18(19)20/h3-4,6-7,9-10,14,22H,5,8,11H2,1-2H3,(H,24,25)(H4,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404512 (CHEMBL168250) Show SMILES CCC(C)OC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C22H33N5O4S/c1-5-15(2)31-21(28)18(11-8-14-25-22(23)24)26-32(29,30)20-13-7-9-16-17(20)10-6-12-19(16)27(3)4/h6-7,9-10,12-13,15,18,26H,5,8,11,14H2,1-4H3,(H4,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404521 (CHEMBL353107) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(CCCNC(N)=N)C(=O)OCc1ccccc1 Show InChI InChI=1S/C25H31N5O4S/c1-30(2)22-14-6-12-20-19(22)11-7-15-23(20)35(32,33)29-21(13-8-16-28-25(26)27)24(31)34-17-18-9-4-3-5-10-18/h3-7,9-12,14-15,21,29H,8,13,16-17H2,1-2H3,(H4,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404513 (CHEMBL166674) Show SMILES COC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C19H27N5O4S/c1-24(2)16-10-4-8-14-13(16)7-5-11-17(14)29(26,27)23-15(18(25)28-3)9-6-12-22-19(20)21/h4-5,7-8,10-11,15,23H,6,9,12H2,1-3H3,(H4,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using commercial topical bovine thrombin.				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404525 (CHEMBL167794) Show SMILES COC(=O)C(CCC[N-]C(N)=[NH2+])NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C13H18N5O6S/c1-24-12(19)11(3-2-8-16-13(14)15)17-25(22,23)10-6-4-9(5-7-10)18(20)21/h4-7,11,17H,2-3,8H2,1H3,(H3-,14,15,16)/q-1/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404524 (CHEMBL168759) Show SMILES COC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C13H19ClN4O4S/c1-22-12(19)11(3-2-8-17-13(15)16)18-23(20,21)10-6-4-9(14)5-7-10/h4-7,11,18H,2-3,8H2,1H3,(H4,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404528 (CHEMBL422559) Show SMILES COC(=O)C(CCC[N-]C(N)=[NH2+])NS(=O)(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C13H18N5O6S/c1-24-12(19)11(6-3-7-16-13(14)15)17-25(22,23)10-5-2-4-9(8-10)18(20)21/h2,4-5,8,11,17H,3,6-7H2,1H3,(H3-,14,15,16)/q-1/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404503 (CHEMBL352969) Show SMILES COC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C13H21N5O4S/c1-22-12(19)11(3-2-8-17-13(15)16)18-23(20,21)10-6-4-9(14)5-7-10/h4-7,11,18H,2-3,8,14H2,1H3,(H4,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404510 (CHEMBL355542) Show SMILES COC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C17H22N4O4S/c1-25-16(22)14(9-5-11-20-17(18)19)21-26(23,24)15-10-4-7-12-6-2-3-8-13(12)15/h2-4,6-8,10,14,21H,5,9,11H2,1H3,(H4,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404532 (CHEMBL349989) Show SMILES COC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C13H19FN4O4S/c1-22-12(19)11(3-2-8-17-13(15)16)18-23(20,21)10-6-4-9(14)5-7-10/h4-7,11,18H,2-3,8H2,1H3,(H4,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404514 (CHEMBL168837) Show SMILES CCCCSC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C22H33N5O3S2/c1-4-5-15-31-21(28)18(11-8-14-25-22(23)24)26-32(29,30)20-13-7-9-16-17(20)10-6-12-19(16)27(2)3/h6-7,9-10,12-13,18,26H,4-5,8,11,14-15H2,1-3H3,(H4,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.00E+9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description concentration at which the clotting time was prolonged by twice the control was determined using commercial topical bovine thrombin.				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404504 (CHEMBL355047) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(CCCNC(N)=N)C(=O)OCCCCl Show InChI InChI=1S/C21H30ClN5O4S/c1-27(2)18-10-3-8-16-15(18)7-4-11-19(16)32(29,30)26-17(9-5-13-25-21(23)24)20(28)31-14-6-12-22/h3-4,7-8,10-11,17,26H,5-6,9,12-14H2,1-2H3,(H4,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description concentration at which the clotting time was prolonged by twice the control was determined using commercial topical bovine thrombin.				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50404508 (CHEMBL168292) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(CCCNC(N)=N)C(=O)OCCCCCl Show InChI InChI=1S/C22H32ClN5O4S/c1-28(2)19-11-5-9-17-16(19)8-6-12-20(17)33(30,31)27-18(10-7-14-26-22(24)25)21(29)32-15-4-3-13-23/h5-6,8-9,11-12,18,27H,3-4,7,10,13-15H2,1-2H3,(H4,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.30E+9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair