Compile Data Set for Download or QSAR

Found 92 hits with Last Name = 'coote' and Initial = 'sj'   

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
Serine protease 1 (Homo sapiens (Human))	BDBM50072292 ((3S,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...) Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@@H]1Sc1ccccc1 Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50072285 ((3R,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...) Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@H]1Sc1ccccc1 Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50072289 ((3S,3aR,6aS)-3-(4-Methyl-2-oxo-pent-3-enyl)-hexahy...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6@H]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6@@H]-2-[#8]-[#6]-1=O Show InChI InChI=1S/C13H18O3/c1-8(2)6-9(14)7-11-10-4-3-5-12(10)16-13(11)15/h6,10-12H,3-5,7H2,1-2H3/t10-,11+,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50072283 ((3S,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan...) Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C14H16O2/c15-14-12(9-10-5-2-1-3-6-10)11-7-4-8-13(11)16-14/h1-3,5-6,11-13H,4,7-9H2/t11-,12+,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50072286 ((3R,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan...) Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@H]1Cc1ccccc1 Show InChI InChI=1S/C14H16O2/c15-14-12(9-10-5-2-1-3-6-10)11-7-4-8-13(11)16-14/h1-3,5-6,11-13H,4,7-9H2/t11-,12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50072284 ((1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,...) Show SMILES [H][C@@]12[#6]-[#6][C@]3([#6])[C@@]4([H])[#6]-[#6][C@@]5([#6])[C@]6([H])[#6@@H](-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8][C@@]6([H])[#6][C@]5([#6])[#6]4=[#6]-[#6][C@@]3([H])[C@]1([#6])[#6](=O)-[#8]2 |r,c:33| Show InChI InChI=1S/C30H40O5/c1-16(2)13-17(31)14-18-24-21(34-25(18)32)15-29(5)20-7-8-22-27(3,19(20)9-12-28(24,29)4)11-10-23-30(22,6)26(33)35-23/h7,13,18-19,21-24H,8-12,14-15H2,1-6H3/t18-,19+,21+,22-,23-,24-,27-,28+,29-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50072285 ((3R,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...) Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@H]1Sc1ccccc1 Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50072290 ((3S,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-...) Show SMILES C=CC[C@H]1[C@H]2CCC[C@@H]2OC1=O Show InChI InChI=1S/C10H14O2/c1-2-4-8-7-5-3-6-9(7)12-10(8)11/h2,7-9H,1,3-6H2/t7-,8+,9+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Chymotrypsinogen				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075121 (5-[(3aS,8aS)-5-(4-Hydroxy-phenyl)-2-oxo-3,3a,8,8a-...) Show SMILES NC(=N)CCCCC1[C@@H]2[C@H](Cc3ccc(cc23)-c2ccc(O)cc2)OC1=O Show InChI InChI=1S/C22H24N2O3/c23-20(24)4-2-1-3-17-21-18-11-14(13-7-9-16(25)10-8-13)5-6-15(18)12-19(21)27-22(17)26/h5-11,17,19,21,25H,1-4,12H2,(H3,23,24)/t17?,19-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin was determined				Bioorg Med Chem Lett 9: 431-6 (1999) BindingDB Entry DOI: 10.7270/Q26T0KS3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50072292 ((3S,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...) Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@@H]1Sc1ccccc1 Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50078554 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-6-(3-diethy...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2[C@H]3[C@H](Cc2c1)N(C(=O)OC)C(=O)[C@@H]3CCCCC(N)=N Show InChI InChI=1S/C29H36N4O4/c1-4-32(5-2)27(34)20-10-8-9-18(15-20)19-13-14-22-21(16-19)17-24-26(22)23(11-6-7-12-25(30)31)28(35)33(24)29(36)37-3/h8-10,13-16,23-24,26H,4-7,11-12,17H2,1-3H3,(H3,30,31)/t23-,24+,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50078544 (3-[(3R,3aS,8aS)-1-Benzenesulfonyl-3-(4-carbamimido...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3S(=O)(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C33H38N4O4S/c1-3-36(4-2)32(38)25-12-10-11-22(19-25)23-17-18-24-21-29-31(28(24)20-23)27(15-8-9-16-30(34)35)33(39)37(29)42(40,41)26-13-6-5-7-14-26/h5-7,10-14,17-20,27,29,31H,3-4,8-9,15-16,21H2,1-2H3,(H3,34,35)/t27-,29+,31+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50072287 ((3S,6aS)-3-(4-Methyl-2-oxo-pent-3-enyl)-hexahydro-...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6@H]-1-[#6]-2-[#6]-[#6]-[#6]-[#6@@H]-2-[#8]-[#6]-1=O Show InChI InChI=1S/C13H18O3/c1-8(2)6-9(14)7-11-10-4-3-5-12(10)16-13(11)15/h6,10-12H,3-5,7H2,1-2H3/t10?,11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50072289 ((3S,3aR,6aS)-3-(4-Methyl-2-oxo-pent-3-enyl)-hexahy...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6@H]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6@@H]-2-[#8]-[#6]-1=O Show InChI InChI=1S/C13H18O3/c1-8(2)6-9(14)7-11-10-4-3-5-12(10)16-13(11)15/h6,10-12H,3-5,7H2,1-2H3/t10-,11+,12+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50072290 ((3S,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-...) Show SMILES C=CC[C@H]1[C@H]2CCC[C@@H]2OC1=O Show InChI InChI=1S/C10H14O2/c1-2-4-8-7-5-3-6-9(7)12-10(8)11/h2,7-9H,1,3-6H2/t7-,8+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50078554 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-6-(3-diethy...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2[C@H]3[C@H](Cc2c1)N(C(=O)OC)C(=O)[C@@H]3CCCCC(N)=N Show InChI InChI=1S/C29H36N4O4/c1-4-32(5-2)27(34)20-10-8-9-18(15-20)19-13-14-22-21(16-19)17-24-26(22)23(11-6-7-12-25(30)31)28(35)33(24)29(36)37-3/h8-10,13-16,23-24,26H,4-7,11-12,17H2,1-3H3,(H3,30,31)/t23-,24+,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50072287 ((3S,6aS)-3-(4-Methyl-2-oxo-pent-3-enyl)-hexahydro-...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6@H]-1-[#6]-2-[#6]-[#6]-[#6]-[#6@@H]-2-[#8]-[#6]-1=O Show InChI InChI=1S/C13H18O3/c1-8(2)6-9(14)7-11-10-4-3-5-12(10)16-13(11)15/h6,10-12H,3-5,7H2,1-2H3/t10?,11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50072282 ((3R,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-...) Show SMILES C=CC[C@@H]1[C@H]2CCC[C@@H]2OC1=O Show InChI InChI=1S/C10H14O2/c1-2-4-8-7-5-3-6-9(7)12-10(8)11/h2,7-9H,1,3-6H2/t7-,8-,9+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Chymotrypsinogen				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50072293 (5-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...) Show SMILES NC(=N)CCCC[C@@H]1[C@H]2CCC[C@@H]2OC1=O Show InChI InChI=1S/C12H20N2O2/c13-11(14)7-2-1-4-9-8-5-3-6-10(8)16-12(9)15/h8-10H,1-7H2,(H3,13,14)/t8-,9-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50072282 ((3R,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-...) Show SMILES C=CC[C@@H]1[C@H]2CCC[C@@H]2OC1=O Show InChI InChI=1S/C10H14O2/c1-2-4-8-7-5-3-6-9(7)12-10(8)11/h2,7-9H,1,3-6H2/t7-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50072282 ((3R,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-...) Show SMILES C=CC[C@@H]1[C@H]2CCC[C@@H]2OC1=O Show InChI InChI=1S/C10H14O2/c1-2-4-8-7-5-3-6-9(7)12-10(8)11/h2,7-9H,1,3-6H2/t7-,8-,9+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50078553 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-5-(3-diethy...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3C(=O)OC)c2c1 Show InChI InChI=1S/C29H36N4O4/c1-4-32(5-2)27(34)21-10-8-9-18(15-21)19-13-14-20-17-24-26(23(20)16-19)22(11-6-7-12-25(30)31)28(35)33(24)29(36)37-3/h8-10,13-16,22,24,26H,4-7,11-12,17H2,1-3H3,(H3,30,31)/t22-,24+,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50078544 (3-[(3R,3aS,8aS)-1-Benzenesulfonyl-3-(4-carbamimido...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3S(=O)(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C33H38N4O4S/c1-3-36(4-2)32(38)25-12-10-11-22(19-25)23-17-18-24-21-29-31(28(24)20-23)27(15-8-9-16-30(34)35)33(39)37(29)42(40,41)26-13-6-5-7-14-26/h5-7,10-14,17-20,27,29,31H,3-4,8-9,15-16,21H2,1-2H3,(H3,34,35)/t27-,29+,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50072284 ((1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,...) Show SMILES [H][C@@]12[#6]-[#6][C@]3([#6])[C@@]4([H])[#6]-[#6][C@@]5([#6])[C@]6([H])[#6@@H](-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8][C@@]6([H])[#6][C@]5([#6])[#6]4=[#6]-[#6][C@@]3([H])[C@]1([#6])[#6](=O)-[#8]2 |r,c:33| Show InChI InChI=1S/C30H40O5/c1-16(2)13-17(31)14-18-24-21(34-25(18)32)15-29(5)20-7-8-22-27(3,19(20)9-12-28(24,29)4)11-10-23-30(22,6)26(33)35-23/h7,13,18-19,21-24H,8-12,14-15H2,1-6H3/t18-,19+,21+,22-,23-,24-,27-,28+,29-,30+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Chymotrypsinogen				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50072284 ((1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,...) Show SMILES [H][C@@]12[#6]-[#6][C@]3([#6])[C@@]4([H])[#6]-[#6][C@@]5([#6])[C@]6([H])[#6@@H](-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8][C@@]6([H])[#6][C@]5([#6])[#6]4=[#6]-[#6][C@@]3([H])[C@]1([#6])[#6](=O)-[#8]2 |r,c:33| Show InChI InChI=1S/C30H40O5/c1-16(2)13-17(31)14-18-24-21(34-25(18)32)15-29(5)20-7-8-22-27(3,19(20)9-12-28(24,29)4)11-10-23-30(22,6)26(33)35-23/h7,13,18-19,21-24H,8-12,14-15H2,1-6H3/t18-,19+,21+,22-,23-,24-,27-,28+,29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Coagulation factor X				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50072283 ((3S,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan...) Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C14H16O2/c15-14-12(9-10-5-2-1-3-6-10)11-7-4-8-13(11)16-14/h1-3,5-6,11-13H,4,7-9H2/t11-,12+,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50078544 (3-[(3R,3aS,8aS)-1-Benzenesulfonyl-3-(4-carbamimido...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3S(=O)(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C33H38N4O4S/c1-3-36(4-2)32(38)25-12-10-11-22(19-25)23-17-18-24-21-29-31(28(24)20-23)27(15-8-9-16-30(34)35)33(39)37(29)42(40,41)26-13-6-5-7-14-26/h5-7,10-14,17-20,27,29,31H,3-4,8-9,15-16,21H2,1-2H3,(H3,34,35)/t27-,29+,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of activated Coagulation factor X				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075122 (5-((3aS,8aS)-2-Oxo-3,3a,8,8a-tetrahydro-2H-indeno[...) Show SMILES NC(=N)CCCCC1[C@@H]2[C@H](Cc3ccccc23)OC1=O Show InChI InChI=1S/C16H20N2O2/c17-14(18)8-4-3-7-12-15-11-6-2-1-5-10(11)9-13(15)20-16(12)19/h1-2,5-6,12-13,15H,3-4,7-9H2,(H3,17,18)/t12?,13-,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin was determined				Bioorg Med Chem Lett 9: 431-6 (1999) BindingDB Entry DOI: 10.7270/Q26T0KS3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50072286 ((3R,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan...) Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@H]1Cc1ccccc1 Show InChI InChI=1S/C14H16O2/c15-14-12(9-10-5-2-1-3-6-10)11-7-4-8-13(11)16-14/h1-3,5-6,11-13H,4,7-9H2/t11-,12-,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50072290 ((3S,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-...) Show SMILES C=CC[C@H]1[C@H]2CCC[C@@H]2OC1=O Show InChI InChI=1S/C10H14O2/c1-2-4-8-7-5-3-6-9(7)12-10(8)11/h2,7-9H,1,3-6H2/t7-,8+,9+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50072289 ((3S,3aR,6aS)-3-(4-Methyl-2-oxo-pent-3-enyl)-hexahy...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6@H]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6@@H]-2-[#8]-[#6]-1=O Show InChI InChI=1S/C13H18O3/c1-8(2)6-9(14)7-11-10-4-3-5-12(10)16-13(11)15/h6,10-12H,3-5,7H2,1-2H3/t10-,11+,12+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Chymotrypsinogen				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50072285 ((3R,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...) Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@H]1Sc1ccccc1 Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Chymotrypsinogen				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50072283 ((3S,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan...) Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C14H16O2/c15-14-12(9-10-5-2-1-3-6-10)11-7-4-8-13(11)16-14/h1-3,5-6,11-13H,4,7-9H2/t11-,12+,13+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Chymotrypsinogen				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50072292 ((3S,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...) Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@@H]1Sc1ccccc1 Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Chymotrypsinogen				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50072286 ((3R,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan...) Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@H]1Cc1ccccc1 Show InChI InChI=1S/C14H16O2/c15-14-12(9-10-5-2-1-3-6-10)11-7-4-8-13(11)16-14/h1-3,5-6,11-13H,4,7-9H2/t11-,12-,13+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Chymotrypsinogen				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50078554 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-6-(3-diethy...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2[C@H]3[C@H](Cc2c1)N(C(=O)OC)C(=O)[C@@H]3CCCCC(N)=N Show InChI InChI=1S/C29H36N4O4/c1-4-32(5-2)27(34)20-10-8-9-18(15-20)19-13-14-22-21(16-19)17-24-26(22)23(11-6-7-12-25(30)31)28(35)33(24)29(36)37-3/h8-10,13-16,23-24,26H,4-7,11-12,17H2,1-3H3,(H3,30,31)/t23-,24+,26-/m1/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	120	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of activated Coagulation factor X				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50078552 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-5-(3-diethy...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3C(=O)OCCCc3ccccc3)c2c1 Show InChI InChI=1S/C37H44N4O4/c1-3-40(4-2)35(42)29-16-10-15-26(22-29)27-19-20-28-24-32-34(31(28)23-27)30(17-8-9-18-33(38)39)36(43)41(32)37(44)45-21-11-14-25-12-6-5-7-13-25/h5-7,10,12-13,15-16,19-20,22-23,30,32,34H,3-4,8-9,11,14,17-18,21,24H2,1-2H3,(H3,38,39)/t30-,32+,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50072293 (5-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...) Show SMILES NC(=N)CCCC[C@@H]1[C@H]2CCC[C@@H]2OC1=O Show InChI InChI=1S/C12H20N2O2/c13-11(14)7-2-1-4-9-8-5-3-6-10(8)16-12(9)15/h8-10H,1-7H2,(H3,13,14)/t8-,9-,10+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin was determined				Bioorg Med Chem Lett 9: 431-6 (1999) BindingDB Entry DOI: 10.7270/Q26T0KS3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50072293 (5-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...) Show SMILES NC(=N)CCCC[C@@H]1[C@H]2CCC[C@@H]2OC1=O Show InChI InChI=1S/C12H20N2O2/c13-11(14)7-2-1-4-9-8-5-3-6-10(8)16-12(9)15/h8-10H,1-7H2,(H3,13,14)/t8-,9-,10+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50072291 (4-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...) Show SMILES NC(=N)c1ccc(C[C@@H]2[C@H]3CCC[C@@H]3OC2=O)cc1 Show InChI InChI=1S/C15H18N2O2/c16-14(17)10-6-4-9(5-7-10)8-12-11-2-1-3-13(11)19-15(12)18/h4-7,11-13H,1-3,8H2,(H3,16,17)/t11-,12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50078556 (3-[(3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-2-oxo-1-...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3C(=O)CC)c2c1 Show InChI InChI=1S/C30H38N4O3/c1-4-27(35)34-25-18-21-15-14-20(19-10-9-11-22(16-19)29(36)33(5-2)6-3)17-24(21)28(25)23(30(34)37)12-7-8-13-26(31)32/h9-11,14-17,23,25,28H,4-8,12-13,18H2,1-3H3,(H3,31,32)/t23-,25+,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075123 (4-((3R,3aS,8aS)-2-Oxo-3,3a,8,8a-tetrahydro-2H-inde...) Show SMILES NC(=N)CCC[C@@H]1[C@@H]2[C@H](Cc3ccccc23)OC1=O Show InChI InChI=1S/C15H18N2O2/c16-13(17)7-3-6-11-14-10-5-2-1-4-9(10)8-12(14)19-15(11)18/h1-2,4-5,11-12,14H,3,6-8H2,(H3,16,17)/t11-,12+,14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin was determined				Bioorg Med Chem Lett 9: 431-6 (1999) BindingDB Entry DOI: 10.7270/Q26T0KS3
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50078557 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-6-(3-diethy...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2[C@H]3[C@H](Cc2c1)N(C(=O)OCCCc1ccccc1)C(=O)[C@@H]3CCCCC(N)=N Show InChI InChI=1S/C37H44N4O4/c1-3-40(4-2)35(42)28-16-10-15-26(22-28)27-19-20-30-29(23-27)24-32-34(30)31(17-8-9-18-33(38)39)36(43)41(32)37(44)45-21-11-14-25-12-6-5-7-13-25/h5-7,10,12-13,15-16,19-20,22-23,31-32,34H,3-4,8-9,11,14,17-18,21,24H2,1-2H3,(H3,38,39)/t31-,32+,34-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50078557 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-6-(3-diethy...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2[C@H]3[C@H](Cc2c1)N(C(=O)OCCCc1ccccc1)C(=O)[C@@H]3CCCCC(N)=N Show InChI InChI=1S/C37H44N4O4/c1-3-40(4-2)35(42)28-16-10-15-26(22-28)27-19-20-30-29(23-27)24-32-34(30)31(17-8-9-18-33(38)39)36(43)41(32)37(44)45-21-11-14-25-12-6-5-7-13-25/h5-7,10,12-13,15-16,19-20,22-23,31-32,34H,3-4,8-9,11,14,17-18,21,24H2,1-2H3,(H3,38,39)/t31-,32+,34-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075120 (5-[(3R,3aS,8aS)-5-(4-Hydroxy-phenyl)-2-oxo-3,3a,8,...) Show SMILES CNC(=N)CCCC[C@@H]1[C@@H]2[C@H](Cc3ccc(cc23)-c2ccc(O)cc2)OC1=O Show InChI InChI=1S/C23H26N2O3/c1-25-21(24)5-3-2-4-18-22-19-12-15(14-8-10-17(26)11-9-14)6-7-16(19)13-20(22)28-23(18)27/h6-12,18,20,22,26H,2-5,13H2,1H3,(H2,24,25)/t18-,20+,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin was determined				Bioorg Med Chem Lett 9: 431-6 (1999) BindingDB Entry DOI: 10.7270/Q26T0KS3
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50078551 (CHEMBL46365 | [(3R,3aS,8aS)-3-(4-Carbamimidoyl-but...) Show SMILES CCOP(=O)(OCC)N1[C@H]2Cc3cc(ccc3[C@@H]2[C@@H](CCCCC(N)=N)C1=O)-c1cccc(c1)C(=O)N(CC)CC Show InChI InChI=1S/C31H43N4O5P/c1-5-34(6-2)30(36)23-13-11-12-21(18-23)22-16-17-25-24(19-22)20-27-29(25)26(14-9-10-15-28(32)33)31(37)35(27)41(38,39-7-3)40-8-4/h11-13,16-19,26-27,29H,5-10,14-15,20H2,1-4H3,(H3,32,33)/t26-,27+,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50078549 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-6-(3-diethy...) Show SMILES CCNC(=O)N1[C@H]2Cc3cc(ccc3[C@@H]2[C@@H](CCCCC(N)=N)C1=O)-c1cccc(c1)C(=O)N(CC)CC Show InChI InChI=1S/C30H39N5O3/c1-4-33-30(38)35-25-18-22-17-20(19-10-9-11-21(16-19)28(36)34(5-2)6-3)14-15-23(22)27(25)24(29(35)37)12-7-8-13-26(31)32/h9-11,14-17,24-25,27H,4-8,12-13,18H2,1-3H3,(H3,31,32)(H,33,38)/t24-,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075119 (5-[(3aR,8aS)-6-(3-Methoxy-phenyl)-3-methyl-2-oxo-3...) Show SMILES COc1cccc(c1)-c1ccc2[C@H]3[C@H](Cc2c1)OC(=O)C3(C)CCCCC(N)=N Show InChI InChI=1S/C24H28N2O3/c1-24(11-4-3-8-21(25)26)22-19-10-9-16(15-6-5-7-18(13-15)28-2)12-17(19)14-20(22)29-23(24)27/h5-7,9-10,12-13,20,22H,3-4,8,11,14H2,1-2H3,(H3,25,26)/t20-,22-,24?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin was determined				Bioorg Med Chem Lett 9: 431-6 (1999) BindingDB Entry DOI: 10.7270/Q26T0KS3
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50078553 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-5-(3-diethy...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3C(=O)OC)c2c1 Show InChI InChI=1S/C29H36N4O4/c1-4-32(5-2)27(34)21-10-8-9-18(15-21)19-13-14-20-17-24-26(23(20)16-19)22(11-6-7-12-25(30)31)28(35)33(24)29(36)37-3/h8-10,13-16,22,24,26H,4-7,11-12,17H2,1-3H3,(H3,30,31)/t22-,24+,26+/m1/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	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of activated Coagulation factor X				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50078553 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-5-(3-diethy...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3C(=O)OC)c2c1 Show InChI InChI=1S/C29H36N4O4/c1-4-32(5-2)27(34)21-10-8-9-18(15-21)19-13-14-20-17-24-26(23(20)16-19)22(11-6-7-12-25(30)31)28(35)33(24)29(36)37-3/h8-10,13-16,22,24,26H,4-7,11-12,17H2,1-3H3,(H3,30,31)/t22-,24+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair

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