Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'talbot' and Initial = 'md'   

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))	BDBM50082611 (3,3-Dimethyl-1,2,3,4-tetrahydro-quinoline-8-sulfon...) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C24H39FN6O3S/c1-24(2)15-18-5-3-7-20(21(18)29-16-24)35(33,34)30-19(6-4-12-28-23(26)27)22(32)31-13-9-17(8-11-25)10-14-31/h3,5,7,17,19,29-30H,4,6,8-16H2,1-2H3,(H4,26,27,28)	PDB UniProtKB/SwissProt 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
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090249 (3,3-Dimethyl-1,2,3,4-tetrahydro-quinoline-8-sulfon...) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C24H39FN6O3S/c1-24(2)15-18-5-3-7-20(21(18)29-16-24)35(33,34)30-19(6-4-12-28-23(26)27)22(32)31-13-9-17(8-11-25)10-14-31/h3,5,7,17,19,29-30H,4,6,8-16H2,1-2H3,(H4,26,27,28)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082575 (3,3-Dimethyl-1,2,3,4-tetrahydro-quinoline-8-sulfon...) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CC(F)F)CC1 Show InChI InChI=1S/C24H38F2N6O3S/c1-24(2)14-17-5-3-7-19(21(17)30-15-24)36(34,35)31-18(6-4-10-29-23(27)28)22(33)32-11-8-16(9-12-32)13-20(25)26/h3,5,7,16,18,20,30-31H,4,6,8-15H2,1-2H3,(H4,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082578 (6-Chloro-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline...) Show SMILES CC1(C)CNc2c(C1)cc(Cl)cc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C24H38ClFN6O3S/c1-24(2)14-17-12-18(25)13-20(21(17)30-15-24)36(34,35)31-19(4-3-9-29-23(27)28)22(33)32-10-6-16(5-8-26)7-11-32/h12-13,16,19,30-31H,3-11,14-15H2,1-2H3,(H4,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50082589 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCCl)CC1 Show InChI InChI=1S/C23H37ClN6O3S/c1-16-14-18-4-2-6-20(21(18)28-15-16)34(32,33)29-19(5-3-11-27-23(25)26)22(31)30-12-8-17(7-10-24)9-13-30/h2,4,6,16-17,19,28-29H,3,5,7-15H2,1H3,(H4,25,26,27)	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
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description The compound was evaluated for the inhibitory activity against human thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082579 (6-Chloro-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline...) Show SMILES CC1(C)CNc2c(C1)cc(Cl)cc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CC(F)F)CC1 Show InChI InChI=1S/C24H37ClF2N6O3S/c1-24(2)13-16-11-17(25)12-19(21(16)31-14-24)37(35,36)32-18(4-3-7-30-23(28)29)22(34)33-8-5-15(6-9-33)10-20(26)27/h11-12,15,18,20,31-32H,3-10,13-14H2,1-2H3,(H4,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082583 (Acetic acid 2-{1-[5-guanidino-2-(3-methyl-1,2,3,4-...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCOC(C)=O)CC1 Show InChI InChI=1S/C25H40N6O5S/c1-17-15-20-5-3-7-22(23(20)29-16-17)37(34,35)30-21(6-4-11-28-25(26)27)24(33)31-12-8-19(9-13-31)10-14-36-18(2)32/h3,5,7,17,19,21,29-30H,4,6,8-16H2,1-2H3,(H4,26,27,28)	PDB UniProtKB/SwissProt 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
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082589 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCCl)CC1 Show InChI InChI=1S/C23H37ClN6O3S/c1-16-14-18-4-2-6-20(21(18)28-15-16)34(32,33)29-19(5-3-11-27-23(25)26)22(31)30-12-8-17(7-10-24)9-13-30/h2,4,6,16-17,19,28-29H,3,5,7-15H2,1H3,(H4,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082577 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCCC[C@H]1CO Show InChI InChI=1S/C22H36N6O4S/c1-15-12-16-6-4-9-19(20(16)26-13-15)33(31,32)27-18(8-5-10-25-22(23)24)21(30)28-11-3-2-7-17(28)14-29/h4,6,9,15,17-18,26-27,29H,2-3,5,7-8,10-14H2,1H3,(H4,23,24,25)/t15?,17-,18?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082598 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C25H34N6O3S/c1-17-14-19-8-4-10-22(23(19)29-15-17)35(33,34)30-21(9-5-12-28-25(26)27)24(32)31-13-11-18-6-2-3-7-20(18)16-31/h2-4,6-8,10,17,21,29-30H,5,9,11-16H2,1H3,(H4,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090222 (CHEMBL39086 | MD805 Analogue) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)NC(Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C28H35FN4O3S2/c1-28(2)17-20-6-5-9-24(26(20)30-18-28)38(35,36)32-22(16-25-31-21-7-3-4-8-23(21)37-25)27(34)33-14-11-19(10-13-29)12-15-33/h3-9,19,22,30,32H,10-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082612 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CCC1CCN(CC1)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12 Show InChI InChI=1S/C23H38N6O3S/c1-3-17-9-12-29(13-10-17)22(30)19(7-5-11-26-23(24)25)28-33(31,32)20-8-4-6-18-14-16(2)15-27-21(18)20/h4,6,8,16-17,19,27-28H,3,5,7,9-15H2,1-2H3,(H4,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090222 (CHEMBL39086 | MD805 Analogue) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)NC(Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C28H35FN4O3S2/c1-28(2)17-20-6-5-9-24(26(20)30-18-28)38(35,36)32-22(16-25-31-21-7-3-4-8-23(21)37-25)27(34)33-14-11-19(10-13-29)12-15-33/h3-9,19,22,30,32H,10-18H2,1-2H3	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
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082580 (3,3-Dimethyl-1,2,3,4-tetrahydro-quinoline-8-sulfon...) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C24H40N6O4S/c1-24(2)15-18-5-3-7-20(21(18)28-16-24)35(33,34)29-19(6-4-11-27-23(25)26)22(32)30-12-8-17(9-13-30)10-14-31/h3,5,7,17,19,28-29,31H,4,6,8-16H2,1-2H3,(H4,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description The compound was evaluated for the inhibitory activity against human thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082608 (CHEMBL139718 | Succinic acid mono-(2-{1-[5-guanidi...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCOC(=O)CCC(O)=O)CC1 Show InChI InChI=1S/C27H42N6O7S/c1-18-16-20-4-2-6-22(25(20)31-17-18)41(38,39)32-21(5-3-12-30-27(28)29)26(37)33-13-9-19(10-14-33)11-15-40-24(36)8-7-23(34)35/h2,4,6,18-19,21,31-32H,3,5,7-17H2,1H3,(H,34,35)(H4,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082581 (CHEMBL143203 | N-(2-{1-[2-(3,3-Dimethyl-1,2,3,4-te...) Show SMILES CC(=O)NCCC1CCN(CC1)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)(C)CNc12 Show InChI InChI=1S/C26H43N7O4S/c1-18(34)29-13-9-19-10-14-33(15-11-19)24(35)21(7-5-12-30-25(27)28)32-38(36,37)22-8-4-6-20-16-26(2,3)17-31-23(20)22/h4,6,8,19,21,31-32H,5,7,9-17H2,1-3H3,(H,29,34)(H4,27,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082573 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C23H38N6O4S/c1-16-14-18-4-2-6-20(21(18)27-15-16)34(32,33)28-19(5-3-10-26-23(24)25)22(31)29-11-7-17(8-12-29)9-13-30/h2,4,6,16-17,19,27-28,30H,3,5,7-15H2,1H3,(H4,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description The compound was evaluated for the inhibitory activity against human thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082591 (CHEMBL139606 | N-(2-{1-[5-Guanidino-2-(3-methyl-1,...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCNC(C)=O)CC1 Show InChI InChI=1S/C25H41N7O4S/c1-17-15-20-5-3-7-22(23(20)30-16-17)37(35,36)31-21(6-4-11-29-25(26)27)24(34)32-13-9-19(10-14-32)8-12-28-18(2)33/h3,5,7,17,19,21,30-31H,4,6,8-16H2,1-2H3,(H,28,33)(H4,26,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082603 ((R)-3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfon...) Show SMILES C[C@H]1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C23H38N6O4S/c1-16-14-18-4-2-6-20(21(18)27-15-16)34(32,33)28-19(5-3-10-26-23(24)25)22(31)29-11-7-17(8-12-29)9-13-30/h2,4,6,16-17,19,27-28,30H,3,5,7-15H2,1H3,(H4,24,25,26)/t16-,19?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082580 (3,3-Dimethyl-1,2,3,4-tetrahydro-quinoline-8-sulfon...) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C24H40N6O4S/c1-24(2)15-18-5-3-7-20(21(18)28-16-24)35(33,34)29-19(6-4-11-27-23(25)26)22(32)30-12-8-17(9-13-30)10-14-31/h3,5,7,17,19,28-29,31H,4,6,8-16H2,1-2H3,(H4,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082594 (CHEMBL356067 | N-[1-(3,4-Dihydro-1H-isoquinoline-2...) Show SMILES CC(C)(c1ccccc1)c1cccc(c1)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C30H37N5O3S/c1-30(2,24-12-4-3-5-13-24)25-14-8-15-26(20-25)39(37,38)34-27(16-9-18-33-29(31)32)28(36)35-19-17-22-10-6-7-11-23(22)21-35/h3-8,10-15,20,27,34H,9,16-19,21H2,1-2H3,(H4,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082573 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C23H38N6O4S/c1-16-14-18-4-2-6-20(21(18)27-15-16)34(32,33)28-19(5-3-10-26-23(24)25)22(31)29-11-7-17(8-12-29)9-13-30/h2,4,6,16-17,19,27-28,30H,3,5,7-15H2,1H3,(H4,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082597 (2,2-Dimethyl-propionic acid 2-{1-[2-(6-chloro-3,3-...) Show SMILES CC(C)(C)C(=O)OCCC1CCN(CC1)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cc(Cl)cc2CC(C)(C)CNc12 Show InChI InChI=1S/C29H47ClN6O5S/c1-28(2,3)26(38)41-14-10-19-8-12-36(13-9-19)25(37)22(7-6-11-33-27(31)32)35-42(39,40)23-16-21(30)15-20-17-29(4,5)18-34-24(20)23/h15-16,19,22,34-35H,6-14,17-18H2,1-5H3,(H4,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50038001 ((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...) Show SMILES C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12 Show InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50038001 ((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...) Show SMILES C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12 Show InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082602 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CO)CC1 Show InChI InChI=1S/C22H36N6O4S/c1-15-12-17-4-2-6-19(20(17)26-13-15)33(31,32)27-18(5-3-9-25-22(23)24)21(30)28-10-7-16(14-29)8-11-28/h2,4,6,15-16,18,26-27,29H,3,5,7-14H2,1H3,(H4,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082610 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCCCC1CO Show InChI InChI=1S/C22H36N6O4S/c1-15-12-16-6-4-9-19(20(16)26-13-15)33(31,32)27-18(8-5-10-25-22(23)24)21(30)28-11-3-2-7-17(28)14-29/h4,6,9,15,17-18,26-27,29H,2-3,5,7-8,10-14H2,1H3,(H4,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50082591 (CHEMBL139606 | N-(2-{1-[5-Guanidino-2-(3-methyl-1,...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCNC(C)=O)CC1 Show InChI InChI=1S/C25H41N7O4S/c1-17-15-20-5-3-7-22(23(20)30-16-17)37(35,36)31-21(6-4-11-29-25(26)27)24(34)32-13-9-19(10-14-32)8-12-28-18(2)33/h3,5,7,17,19,21,30-31H,4,6,8-16H2,1-2H3,(H,28,33)(H4,26,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description The compound was evaluated for the inhibitory activity against human thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082592 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC[C@H]1CO Show InChI InChI=1S/C21H34N6O4S/c1-14-11-15-5-2-8-18(19(15)25-12-14)32(30,31)26-17(7-3-9-24-21(22)23)20(29)27-10-4-6-16(27)13-28/h2,5,8,14,16-17,25-26,28H,3-4,6-7,9-13H2,1H3,(H4,22,23,24)/t14?,16-,17?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082595 (CHEMBL140469 | N-[4-Guanidino-1-(pyrrolidine-1-car...) Show SMILES CC(C)(c1ccccc1)c1cccc(c1)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCCC1 Show InChI InChI=1S/C25H35N5O3S/c1-25(2,19-10-4-3-5-11-19)20-12-8-13-21(18-20)34(32,33)29-22(14-9-15-28-24(26)27)23(31)30-16-6-7-17-30/h3-5,8,10-13,18,22,29H,6-7,9,14-17H2,1-2H3,(H4,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090226 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C27H34N4O4S2/c1-18-15-20-5-4-8-24(26(20)28-17-18)37(34,35)30-22(16-25-29-21-6-2-3-7-23(21)36-25)27(33)31-12-9-19(10-13-31)11-14-32/h2-8,18-19,22,28,30,32H,9-17H2,1H3/t18?,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090226 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C27H34N4O4S2/c1-18-15-20-5-4-8-24(26(20)28-17-18)37(34,35)30-22(16-25-29-21-6-2-3-7-23(21)36-25)27(33)31-12-9-19(10-13-31)11-14-32/h2-8,18-19,22,28,30,32H,9-17H2,1H3/t18?,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50366643 (CHEMBL1907778) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N1CCC(CCF)CC1 |r| Show InChI InChI=1S/C24H39FN4O3S2/c1-24(2)15-19-5-3-6-21(22(19)27-17-24)34(31,32)28-20(16-33-14-4-11-26)23(30)29-12-8-18(7-10-25)9-13-29/h3,5-6,18,20,27-28H,4,7-17,26H2,1-2H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082572 (CHEMBL337532 | Pentanedioic acid mono-(2-{1-[5-gua...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCOC(=O)CCCC(O)=O)CC1 Show InChI InChI=1S/C28H44N6O7S/c1-19-17-21-5-2-7-23(26(21)32-18-19)42(39,40)33-22(6-4-13-31-28(29)30)27(38)34-14-10-20(11-15-34)12-16-41-25(37)9-3-8-24(35)36/h2,5,7,19-20,22,32-33H,3-4,6,8-18H2,1H3,(H,35,36)(H4,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082587 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCCO)CC1 Show InChI InChI=1S/C24H40N6O4S/c1-17-15-19-6-2-8-21(22(19)28-16-17)35(33,34)29-20(7-3-11-27-24(25)26)23(32)30-12-9-18(10-13-30)5-4-14-31/h2,6,8,17-18,20,28-29,31H,3-5,7,9-16H2,1H3,(H4,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	185	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090231 (CHEMBL39375 | MD805 Analogue) Show SMILES CCC1CCN(CC1)C(=O)C(Cc1nc2ccccc2s1)NS(=O)(=O)c1cccc2CC(C)(C)CNc12 Show InChI InChI=1S/C28H36N4O3S2/c1-4-19-12-14-32(15-13-19)27(33)22(16-25-30-21-9-5-6-10-23(21)36-25)31-37(34,35)24-11-7-8-20-17-28(2,3)18-29-26(20)24/h5-11,19,22,29,31H,4,12-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	248	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50366642 (CHEMBL1907779) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N1CCC(CCO)CC1 |r| Show InChI InChI=1S/C24H40N4O4S2/c1-24(2)15-19-5-3-6-21(22(19)26-17-24)34(31,32)27-20(16-33-14-4-10-25)23(30)28-11-7-18(8-12-28)9-13-29/h3,5-6,18,20,26-27,29H,4,7-17,25H2,1-2H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50082606 (3-(3-{1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydr...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCC(=O)NCCC(O)=O)CC1 Show InChI InChI=1S/C27H43N7O6S/c1-18-16-20-4-2-6-22(25(20)32-17-18)41(39,40)33-21(5-3-12-31-27(28)29)26(38)34-14-10-19(11-15-34)7-8-23(35)30-13-9-24(36)37/h2,4,6,18-19,21,32-33H,3,5,7-17H2,1H3,(H,30,35)(H,36,37)(H4,28,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description The compound was evaluated for the inhibitory activity against human thrombin.				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082606 (3-(3-{1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydr...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCC(=O)NCCC(O)=O)CC1 Show InChI InChI=1S/C27H43N7O6S/c1-18-16-20-4-2-6-22(25(20)32-17-18)41(39,40)33-21(5-3-12-31-27(28)29)26(38)34-14-10-19(11-15-34)7-8-23(35)30-13-9-24(36)37/h2,4,6,18-19,21,32-33H,3,5,7-17H2,1H3,(H,30,35)(H,36,37)(H4,28,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082584 (CHEMBL435785 | Malonic acid mono-(2-{1-[5-guanidin...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCOC(=O)CC(O)=O)CC1 Show InChI InChI=1S/C26H40N6O7S/c1-17-14-19-4-2-6-21(24(19)30-16-17)40(37,38)31-20(5-3-10-29-26(27)28)25(36)32-11-7-18(8-12-32)9-13-39-23(35)15-22(33)34/h2,4,6,17-18,20,30-31H,3,5,7-16H2,1H3,(H,33,34)(H4,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082605 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCCC(O)C1 Show InChI InChI=1S/C21H34N6O4S/c1-14-11-15-5-2-8-18(19(15)25-12-14)32(30,31)26-17(7-3-9-24-21(22)23)20(29)27-10-4-6-16(28)13-27/h2,5,8,14,16-17,25-26,28H,3-4,6-7,9-13H2,1H3,(H4,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090236 (CHEMBL418248 | MD805 Analogue) Show SMILES CC(=O)OCCC1CCN(CC1)C(=O)C(Cc1nc2ccccc2[nH]1)NS(=O)(=O)c1cccc2CC(C)(C)CNc12 Show InChI InChI=1S/C30H39N5O5S/c1-20(36)40-16-13-21-11-14-35(15-12-21)29(37)25(17-27-32-23-8-4-5-9-24(23)33-27)34-41(38,39)26-10-6-7-22-18-30(2,3)19-31-28(22)26/h4-10,21,25,31,34H,11-19H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	452	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082600 (1,2,3,4-Tetrahydro-quinoline-8-sulfonic acid {4-gu...) Show SMILES NC(=N)NCCCC(NS(=O)(=O)c1cccc2CCCNc12)C(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C22H36N6O4S/c23-22(24)26-12-3-6-18(21(30)28-13-8-16(9-14-28)10-15-29)27-33(31,32)19-7-1-4-17-5-2-11-25-20(17)19/h1,4,7,16,18,25,27,29H,2-3,5-6,8-15H2,(H4,23,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082604 (CHEMBL140686 | N-(2-{1-[5-Guanidino-2-(3-methyl-1,...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCNC(=O)CCC(O)=O)CC1 Show InChI InChI=1S/C27H43N7O6S/c1-18-16-20-4-2-6-22(25(20)32-17-18)41(39,40)33-21(5-3-12-31-27(28)29)26(38)34-14-10-19(11-15-34)9-13-30-23(35)7-8-24(36)37/h2,4,6,18-19,21,32-33H,3,5,7-17H2,1H3,(H,30,35)(H,36,37)(H4,28,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090235 (CHEMBL38907 | MD805 Analogue) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)NC(Cc1nc(CN)cs1)C(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C25H37N5O4S2/c1-25(2)13-18-4-3-5-21(23(18)27-16-25)36(33,34)29-20(12-22-28-19(14-26)15-35-22)24(32)30-9-6-17(7-10-30)8-11-31/h3-5,15,17,20,27,29,31H,6-14,16,26H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090237 (CHEMBL43074 | MD805 Analogue) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)NC(Cc1nc2ccccc2s1)C(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C28H36N4O4S2/c1-28(2)17-20-6-5-9-24(26(20)29-18-28)38(35,36)31-22(16-25-30-21-7-3-4-8-23(21)37-25)27(34)32-13-10-19(11-14-32)12-15-33/h3-9,19,22,29,31,33H,10-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082574 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCCC1 Show InChI InChI=1S/C20H32N6O3S/c1-14-12-15-6-4-8-17(18(15)24-13-14)30(28,29)25-16(7-5-9-23-20(21)22)19(27)26-10-2-3-11-26/h4,6,8,14,16,24-25H,2-3,5,7,9-13H2,1H3,(H4,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	795	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50090220 (CHEMBL289623 | MD805 Analogue) Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)NC(Cc1nc2ccncc2s1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C27H34FN5O3S2/c1-27(2)15-19-4-3-5-23(25(19)30-17-27)38(35,36)32-21(14-24-31-20-7-11-29-16-22(20)37-24)26(34)33-12-8-18(6-10-28)9-13-33/h3-5,7,11,16,18,21,30,32H,6,8-10,12-15,17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Thrombin				Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082596 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1Cc2ccccc2CC1CO Show InChI InChI=1S/C26H36N6O4S/c1-17-12-19-8-4-10-23(24(19)30-14-17)37(35,36)31-22(9-5-11-29-26(27)28)25(34)32-15-20-7-3-2-6-18(20)13-21(32)16-33/h2-4,6-8,10,17,21-22,30-31,33H,5,9,11-16H2,1H3,(H4,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50082607 (4-(2-{1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydr...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCOCCCC(O)=O)CC1 Show InChI InChI=1S/C27H44N6O6S/c1-19-17-21-5-2-7-23(25(21)31-18-19)40(37,38)32-22(6-3-12-30-27(28)29)26(36)33-13-9-20(10-14-33)11-16-39-15-4-8-24(34)35/h2,5,7,19-20,22,31-32H,3-4,6,8-18H2,1H3,(H,34,35)(H4,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair

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