Compile Data Set for Download or QSAR

Found 1192 hits with Last Name = 'kikelj' and Initial = 'd'   

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
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50408204 (CHEMBL4165664) Show SMILES [H][C@]12CCN[C@@]1([H])CN(C2)c1nc(Oc2cnc(C)nc2)nc2[nH]c3c(NC)cc(F)cc3c12 |r| Show InChI InChI=1S/C22H23FN8O/c1-11-26-7-14(8-27-11)32-22-29-20-18(15-5-13(23)6-16(24-2)19(15)28-20)21(30-22)31-9-12-3-4-25-17(12)10-31/h5-8,12,17,24-25H,3-4,9-10H2,1-2H3,(H,28,29,30)/t12-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase B				Eur J Med Chem 154: 117-132 (2018) Article DOI: 10.1016/j.ejmech.2018.05.011 BindingDB Entry DOI: 10.7270/Q2CV4M9N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM7840 (RIVAROXABAN | US8822458, 44 | US8822458, 97) Show SMILES Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...				Eur J Med Chem 64: 302-13 (2013) Article DOI: 10.1016/j.ejmech.2013.03.056 BindingDB Entry DOI: 10.7270/Q2Q241N8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50261591 (3-(Benzyl(2-(4-carbamimidoylbenzyl)-4-methyl-3-oxo...) Show SMILES CN1C(=O)C(Cc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccccc1)C(=O)CC(O)=O Show InChI InChI=1S/C27H26N4O5/c1-30-21-12-11-20(31(24(32)15-25(33)34)16-18-5-3-2-4-6-18)14-22(21)36-23(27(30)35)13-17-7-9-19(10-8-17)26(28)29/h2-12,14,23H,13,15-16H2,1H3,(H3,28,29)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				J Med Chem 51: 2863-7 (2008) Article DOI: 10.1021/jm701622y BindingDB Entry DOI: 10.7270/Q23B5ZW4
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50261568 (CHEMBL468812 | Methyl 3-(benzyl(2-(4-carbamimidoyl...) Show SMILES COC(=O)CC(=O)N(Cc1ccccc1)c1ccc2N(C)C(=O)C(Cc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C28H28N4O5/c1-31-22-13-12-21(32(25(33)16-26(34)36-2)17-19-6-4-3-5-7-19)15-23(22)37-24(28(31)35)14-18-8-10-20(11-9-18)27(29)30/h3-13,15,24H,14,16-17H2,1-2H3,(H3,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				J Med Chem 51: 2863-7 (2008) Article DOI: 10.1021/jm701622y BindingDB Entry DOI: 10.7270/Q23B5ZW4
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50261566 (CHEMBL468642 | Ethyl 2-(Benzyl(2-(4-carbamimidoylb...) Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2N(C)C(=O)C(Cc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C28H28N4O5/c1-3-36-28(35)27(34)32(17-19-7-5-4-6-8-19)21-13-14-22-23(16-21)37-24(26(33)31(22)2)15-18-9-11-20(12-10-18)25(29)30/h4-14,16,24H,3,15,17H2,1-2H3,(H3,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				J Med Chem 51: 2863-7 (2008) Article DOI: 10.1021/jm701622y BindingDB Entry DOI: 10.7270/Q23B5ZW4
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50261592 (CHEMBL468340 | Ethyl 4-(benzyl(2-(4-carbamimidoylb...) Show SMILES CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2N(C)C(=O)C(Cc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C30H32N4O5/c1-3-38-28(36)16-15-27(35)34(19-21-7-5-4-6-8-21)23-13-14-24-25(18-23)39-26(30(37)33(24)2)17-20-9-11-22(12-10-20)29(31)32/h4-14,18,26H,3,15-17,19H2,1-2H3,(H3,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				J Med Chem 51: 2863-7 (2008) Article DOI: 10.1021/jm701622y BindingDB Entry DOI: 10.7270/Q23B5ZW4
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50112086 (3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50261593 (4-(Benzyl(2-(4-carbamimidoylbenzyl)-4-methyl-3-oxo...) Show SMILES CN1C(=O)C(Cc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccccc1)C(=O)CCC(O)=O Show InChI InChI=1S/C28H28N4O5/c1-31-22-12-11-21(32(25(33)13-14-26(34)35)17-19-5-3-2-4-6-19)16-23(22)37-24(28(31)36)15-18-7-9-20(10-8-18)27(29)30/h2-12,16,24H,13-15,17H2,1H3,(H3,29,30)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				J Med Chem 51: 2863-7 (2008) Article DOI: 10.1021/jm701622y BindingDB Entry DOI: 10.7270/Q23B5ZW4
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50261567 (2-(Benzyl(2-(4-carbamimidoylbenzyl)-4-methyl-3-oxo...) Show SMILES CN1C(=O)C(Cc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccccc1)C(=O)C(O)=O Show InChI InChI=1S/C26H24N4O5/c1-29-20-12-11-19(30(25(32)26(33)34)15-17-5-3-2-4-6-17)14-21(20)35-22(24(29)31)13-16-7-9-18(10-8-16)23(27)28/h2-12,14,22H,13,15H2,1H3,(H3,27,28)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				J Med Chem 51: 2863-7 (2008) Article DOI: 10.1021/jm701622y BindingDB Entry DOI: 10.7270/Q23B5ZW4
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50403106 (CHEMBL2216916) Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2O[C@@H](COc3ccc(cc3)C(N)=N)COc2c1 |r| Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)35-17-22(36-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin				Eur J Med Chem 58: 160-70 (2012) Article DOI: 10.1016/j.ejmech.2012.10.001 BindingDB Entry DOI: 10.7270/Q2J38TRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50365131 (CHEMBL1949838) Show SMILES CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H30F2N4O5/c1-4-38-28(37)27(36)35(15-18-11-20(30)13-21(31)12-18)22-7-10-24-25(14-22)40-29(2,16-34(24)3)17-39-23-8-5-19(6-9-23)26(32)33/h5-14H,4,15-17H2,1-3H3,(H3,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50365121 (CHEMBL1952405) Show SMILES CCOC(=O)C(=O)N(Cc1cccc(F)c1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H31FN4O5/c1-4-37-28(36)27(35)34(16-19-6-5-7-21(30)14-19)22-10-13-24-25(15-22)39-29(2,17-33(24)3)18-38-23-11-8-20(9-12-23)26(31)32/h5-15H,4,16-18H2,1-3H3,(H3,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50147480 (CHEMBL109999 | N-(3-Amino-2-imino-2,3,4,5,6,7-hexa...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)NC1CCc2c(C1)sc(=N)n2N Show InChI InChI=1S/C22H25FN6O4S2/c1-13-2-8-17(27-35(32,33)12-14-3-5-15(23)6-4-14)21(31)28(13)11-20(30)26-16-7-9-18-19(10-16)34-22(24)29(18)25/h2-6,8,16,24,27H,7,9-12,25H2,1H3,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				Bioorg Med Chem Lett 14: 3251-6 (2004) Article DOI: 10.1016/j.bmcl.2004.03.085 BindingDB Entry DOI: 10.7270/Q2RN3792
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50365116 (CHEMBL1952401) Show SMILES CCOC(=O)C(=O)N(Cc1ccc(F)cc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H31FN4O5/c1-4-37-28(36)27(35)34(16-19-5-9-21(30)10-6-19)22-11-14-24-25(15-22)39-29(2,17-33(24)3)18-38-23-12-7-20(8-13-23)26(31)32/h5-15H,4,16-18H2,1-3H3,(H3,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50253900 (CHEMBL468464 | Ethyl 4-({2-[(4-carbamimidoylphenox...) Show SMILES CCOC(=O)CCC(=O)N(Cc1ccccn1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C30H35N5O5/c1-4-38-28(37)15-14-27(36)35(18-22-7-5-6-16-33-22)23-10-13-25-26(17-23)40-30(2,19-34(25)3)20-39-24-11-8-21(9-12-24)29(31)32/h5-13,16-17H,4,14-15,18-20H2,1-3H3,(H3,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				J Med Chem 51: 5617-29 (2008) Article DOI: 10.1021/jm8003448 BindingDB Entry DOI: 10.7270/Q2JQ10TZ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50365126 (CHEMBL1952410) Show SMILES CCOC(=O)C(=O)N(Cc1ccc(F)c(F)c1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H30F2N4O5/c1-4-38-28(37)27(36)35(15-18-5-11-22(30)23(31)13-18)20-8-12-24-25(14-20)40-29(2,16-34(24)3)17-39-21-9-6-19(7-10-21)26(32)33/h5-14H,4,15-17H2,1-3H3,(H3,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50147477 (CHEMBL111122 | N-(3-Amino-2-imino-2,3,4,5,6,7-hexa...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2c(C1)sc(=N)n2N Show InChI InChI=1S/C22H26N6O4S2/c1-14-7-9-17(26-34(31,32)13-15-5-3-2-4-6-15)21(30)27(14)12-20(29)25-16-8-10-18-19(11-16)33-22(23)28(18)24/h2-7,9,16,23,26H,8,10-13,24H2,1H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				Bioorg Med Chem Lett 14: 3251-6 (2004) Article DOI: 10.1016/j.bmcl.2004.03.085 BindingDB Entry DOI: 10.7270/Q2RN3792
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50253817 (CHEMBL460144 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...) Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H32N4O5/c1-4-36-28(35)27(34)33(17-20-8-6-5-7-9-20)22-12-15-24-25(16-22)38-29(2,18-32(24)3)19-37-23-13-10-21(11-14-23)26(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50253860 (CHEMBL513670 | Ethyl 4-(Benzyl{2-[(4-carbamimidoyl...) Show SMILES CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C31H36N4O5/c1-4-38-29(37)17-16-28(36)35(19-22-8-6-5-7-9-22)24-12-15-26-27(18-24)40-31(2,20-34(26)3)21-39-25-13-10-23(11-14-25)30(32)33/h5-15,18H,4,16-17,19-21H2,1-3H3,(H3,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				J Med Chem 51: 5617-29 (2008) Article DOI: 10.1021/jm8003448 BindingDB Entry DOI: 10.7270/Q2JQ10TZ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50147489 (CHEMBL109696 | N-((R)-2-Amino-4,5,6,7-tetrahydro-b...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)N[C@@H]1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H25N5O4S2/c1-14-7-9-18(26-33(30,31)13-15-5-3-2-4-6-15)21(29)27(14)12-20(28)24-16-8-10-17-19(11-16)32-22(23)25-17/h2-7,9,16,26H,8,10-13H2,1H3,(H2,23,25)(H,24,28)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				Bioorg Med Chem Lett 14: 3251-6 (2004) Article DOI: 10.1016/j.bmcl.2004.03.085 BindingDB Entry DOI: 10.7270/Q2RN3792
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50147475 (CHEMBL419008 | N-((R)-2-Amino-4,5,6,7-tetrahydro-b...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)N[C@@H]1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H24FN5O4S2/c1-13-2-8-18(27-34(31,32)12-14-3-5-15(23)6-4-14)21(30)28(13)11-20(29)25-16-7-9-17-19(10-16)33-22(24)26-17/h2-6,8,16,27H,7,9-12H2,1H3,(H2,24,26)(H,25,29)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				Bioorg Med Chem Lett 14: 3251-6 (2004) Article DOI: 10.1016/j.bmcl.2004.03.085 BindingDB Entry DOI: 10.7270/Q2RN3792
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50429811 (CHEMBL2337670) Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC[C@H](COc3ccc(cc3)C(N)=[NH2+])Oc2c1 |r| Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)36-22(17-35-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/p+1/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) using S-2238 as substrate preincubated with enzyme for 15 mins prior to substrate addition measured every 10 ...				Eur J Med Chem 62: 329-40 (2013) Article DOI: 10.1016/j.ejmech.2013.01.002 BindingDB Entry DOI: 10.7270/Q2445NTR
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50147488 (CHEMBL110201 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H24FN5O4S2/c1-13-2-8-18(27-34(31,32)12-14-3-5-15(23)6-4-14)21(30)28(13)11-20(29)25-16-7-9-17-19(10-16)33-22(24)26-17/h2-6,8,16,27H,7,9-12H2,1H3,(H2,24,26)(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				Bioorg Med Chem Lett 14: 3251-6 (2004) Article DOI: 10.1016/j.bmcl.2004.03.085 BindingDB Entry DOI: 10.7270/Q2RN3792
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50147487 (CHEMBL111160 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...) Show SMILES Cc1ccc(CS(=O)(=O)Nc2ccc(C)n(CC(=O)NC3CCc4nc(N)sc4C3)c2=O)cc1 Show InChI InChI=1S/C23H27N5O4S2/c1-14-3-6-16(7-4-14)13-34(31,32)27-19-9-5-15(2)28(22(19)30)12-21(29)25-17-8-10-18-20(11-17)33-23(24)26-18/h3-7,9,17,27H,8,10-13H2,1-2H3,(H2,24,26)(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				Bioorg Med Chem Lett 14: 3251-6 (2004) Article DOI: 10.1016/j.bmcl.2004.03.085 BindingDB Entry DOI: 10.7270/Q2RN3792
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50147485 (2-(6-Methyl-2-oxo-3-p-tolylmethanesulfonylamino-2H...) Show SMILES Cc1ccc(CS(=O)(=O)Nc2ccc(C)n(CC(=O)NCC3CCc4[nH]ncc4C3)c2=O)cc1 Show InChI InChI=1S/C24H29N5O4S/c1-16-3-6-18(7-4-16)15-34(32,33)28-22-9-5-17(2)29(24(22)31)14-23(30)25-12-19-8-10-21-20(11-19)13-26-27-21/h3-7,9,13,19,28H,8,10-12,14-15H2,1-2H3,(H,25,30)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				Bioorg Med Chem Lett 14: 3251-6 (2004) Article DOI: 10.1016/j.bmcl.2004.03.085 BindingDB Entry DOI: 10.7270/Q2RN3792
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50253817 (CHEMBL460144 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...) Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H32N4O5/c1-4-36-28(35)27(34)33(17-20-8-6-5-7-9-20)22-12-15-24-25(16-22)38-29(2,18-32(24)3)19-37-23-13-10-21(11-14-23)26(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				J Med Chem 51: 5617-29 (2008) Article DOI: 10.1021/jm8003448 BindingDB Entry DOI: 10.7270/Q2JQ10TZ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50132526 (CHEMBL320542 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2sc(N)nc2C1 Show InChI InChI=1S/C22H25N5O4S2/c1-14-7-9-17(26-33(30,31)13-15-5-3-2-4-6-15)21(29)27(14)12-20(28)24-16-8-10-19-18(11-16)25-22(23)32-19/h2-7,9,16,26H,8,10-13H2,1H3,(H2,23,25)(H,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 13: 3171-6 (2003) BindingDB Entry DOI: 10.7270/Q2M9082H
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50147483 (CHEMBL327136 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H25N5O4S2/c1-14-7-9-18(26-33(30,31)13-15-5-3-2-4-6-15)21(29)27(14)12-20(28)24-16-8-10-17-19(11-16)32-22(23)25-17/h2-7,9,16,26H,8,10-13H2,1H3,(H2,23,25)(H,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				Bioorg Med Chem Lett 14: 3251-6 (2004) Article DOI: 10.1016/j.bmcl.2004.03.085 BindingDB Entry DOI: 10.7270/Q2RN3792
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50124076 ((S)-1-((R)-3-Cyclohexyl-1-oxo-2-phenylmethanesulfo...) Show SMILES O=C(NCC1CCc2[nH]ncc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H41N5O4S/c35-28(30-18-23-13-14-25-24(16-23)19-31-32-25)27-12-7-15-34(27)29(36)26(17-21-8-3-1-4-9-21)33-39(37,38)20-22-10-5-2-6-11-22/h2,5-6,10-11,19,21,23,26-27,33H,1,3-4,7-9,12-18,20H2,(H,30,35)(H,31,32)/t23?,26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibitory activity against Thrombin				Bioorg Med Chem Lett 13: 789-94 (2003) BindingDB Entry DOI: 10.7270/Q2F47NH8
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50147476 (2-[3-(4-Fluoro-phenylmethanesulfonylamino)-6-methy...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C23H26FN5O4S/c1-15-2-8-21(28-34(32,33)14-16-3-6-19(24)7-4-16)23(31)29(15)13-22(30)25-11-17-5-9-20-18(10-17)12-26-27-20/h2-4,6-8,12,17,28H,5,9-11,13-14H2,1H3,(H,25,30)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				Bioorg Med Chem Lett 14: 3251-6 (2004) Article DOI: 10.1016/j.bmcl.2004.03.085 BindingDB Entry DOI: 10.7270/Q2RN3792
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50365132 (CHEMBL1949839) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1cc(F)cc(F)c1)C(=O)C(O)=O Show InChI InChI=1S/C27H26F2N4O5/c1-27(15-37-21-6-3-17(4-7-21)24(30)31)14-32(2)22-8-5-20(12-23(22)38-27)33(25(34)26(35)36)13-16-9-18(28)11-19(29)10-16/h3-12H,13-15H2,1-2H3,(H3,30,31)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50253932 (CHEMBL459318 | Ethyl 2-(N-{2-[(4-carbamimidoylphen...) Show SMILES CCOC(=O)CN(C(=O)c1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H32N4O5/c1-4-36-26(34)17-33(28(35)21-8-6-5-7-9-21)22-12-15-24-25(16-22)38-29(2,18-32(24)3)19-37-23-13-10-20(11-14-23)27(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				J Med Chem 51: 5617-29 (2008) Article DOI: 10.1021/jm8003448 BindingDB Entry DOI: 10.7270/Q2JQ10TZ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50147486 (2-[3-(2-Chloro-4-fluoro-phenylmethanesulfonylamino...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2Cl)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C23H25ClFN5O4S/c1-14-2-6-21(29-35(33,34)13-16-4-5-18(25)9-19(16)24)23(32)30(14)12-22(31)26-10-15-3-7-20-17(8-15)11-27-28-20/h2,4-6,9,11,15,29H,3,7-8,10,12-13H2,1H3,(H,26,31)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				Bioorg Med Chem Lett 14: 3251-6 (2004) Article DOI: 10.1016/j.bmcl.2004.03.085 BindingDB Entry DOI: 10.7270/Q2RN3792
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50147490 (CHEMBL111468 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2Cl)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H23ClFN5O4S2/c1-12-2-6-18(28-35(32,33)11-13-3-4-14(24)8-16(13)23)21(31)29(12)10-20(30)26-15-5-7-17-19(9-15)34-22(25)27-17/h2-4,6,8,15,28H,5,7,9-11H2,1H3,(H2,25,27)(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				Bioorg Med Chem Lett 14: 3251-6 (2004) Article DOI: 10.1016/j.bmcl.2004.03.085 BindingDB Entry DOI: 10.7270/Q2RN3792
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50132525 (2-(6-Methyl-2-oxo-3-phenylmethanesulfonylamino-2H-...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C23H27N5O4S/c1-16-7-9-21(27-33(31,32)15-17-5-3-2-4-6-17)23(30)28(16)14-22(29)24-12-18-8-10-20-19(11-18)13-25-26-20/h2-7,9,13,18,27H,8,10-12,14-15H2,1H3,(H,24,29)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 13: 3171-6 (2003) BindingDB Entry DOI: 10.7270/Q2M9082H
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50132525 (2-(6-Methyl-2-oxo-3-phenylmethanesulfonylamino-2H-...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C23H27N5O4S/c1-16-7-9-21(27-33(31,32)15-17-5-3-2-4-6-17)23(30)28(16)14-22(29)24-12-18-8-10-20-19(11-18)13-25-26-20/h2-7,9,13,18,27H,8,10-12,14-15H2,1H3,(H,24,29)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				Bioorg Med Chem Lett 14: 3251-6 (2004) Article DOI: 10.1016/j.bmcl.2004.03.085 BindingDB Entry DOI: 10.7270/Q2RN3792
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50403105 (CHEMBL2216917) Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC(COc3ccc(cc3)C(N)=N)COc2c1 Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)35-17-22(36-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin				Eur J Med Chem 58: 160-70 (2012) Article DOI: 10.1016/j.ejmech.2012.10.001 BindingDB Entry DOI: 10.7270/Q2J38TRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50253818 (2-(Benzyl{2-[(4-carbamimidoylphenoxy)methyl]-2,4-d...) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccccc1)C(=O)C(O)=O Show InChI InChI=1S/C27H28N4O5/c1-27(17-35-21-11-8-19(9-12-21)24(28)29)16-30(2)22-13-10-20(14-23(22)36-27)31(25(32)26(33)34)15-18-6-4-3-5-7-18/h3-14H,15-17H2,1-2H3,(H3,28,29)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50365129 (CHEMBL1949836) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(CC(O)=O)Cc1cc(F)cc(F)c1 Show InChI InChI=1S/C27H28F2N4O4/c1-27(16-36-22-6-3-18(4-7-22)26(30)31)15-32(2)23-8-5-21(12-24(23)37-27)33(14-25(34)35)13-17-9-19(28)11-20(29)10-17/h3-12H,13-16H2,1-2H3,(H3,30,31)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50165956 ((S)-2-{2-[4-(4-Carbamimidoyl-benzyl)-3-oxo-3,4-dih...) Show SMILES NC(=N)c1ccc(CN2C(=O)COc3cc(NC(=O)C(Cc4ccccc4)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc23)cc1 Show InChI InChI=1S/C31H31N5O8/c32-28(33)20-8-6-19(7-9-20)16-36-24-12-10-21(15-25(24)44-17-26(36)37)34-29(40)22(14-18-4-2-1-3-5-18)30(41)35-23(31(42)43)11-13-27(38)39/h1-10,12,15,22-23H,11,13-14,16-17H2,(H3,32,33)(H,34,40)(H,35,41)(H,38,39)(H,42,43)/t22?,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	206	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibitory activity against binding of Fibrinogen to thrombocyte alpha IIb beta-3 integrin				J Med Chem 48: 3110-3 (2005) Article DOI: 10.1021/jm048984g BindingDB Entry DOI: 10.7270/Q2K0752H
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50253858 (CHEMBL461210 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...) Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C29H32N4O5/c1-4-36-28(35)27(34)33(17-20-8-6-5-7-9-20)22-12-15-25-24(16-22)32(3)18-29(2,38-25)19-37-23-13-10-21(11-14-23)26(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50365114 (CHEMBL1952399) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(CC(O)=O)Cc1ccc(F)cc1 Show InChI InChI=1S/C27H29FN4O4/c1-27(17-35-22-10-5-19(6-11-22)26(29)30)16-31(2)23-12-9-21(13-24(23)36-27)32(15-25(33)34)14-18-3-7-20(28)8-4-18/h3-13H,14-17H2,1-2H3,(H3,29,30)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50365122 (CHEMBL1952406) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1cccc(F)c1)C(=O)C(O)=O Show InChI InChI=1S/C27H27FN4O5/c1-27(16-36-21-9-6-18(7-10-21)24(29)30)15-31(2)22-11-8-20(13-23(22)37-27)32(25(33)26(34)35)14-17-4-3-5-19(28)12-17/h3-13H,14-16H2,1-2H3,(H3,29,30)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50365117 (CHEMBL1952402) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccc(F)cc1)C(=O)C(O)=O Show InChI InChI=1S/C27H27FN4O5/c1-27(16-36-21-10-5-18(6-11-21)24(29)30)15-31(2)22-12-9-20(13-23(22)37-27)32(25(33)26(34)35)14-17-3-7-19(28)8-4-17/h3-13H,14-16H2,1-2H3,(H3,29,30)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50429807 (CHEMBL2337674) Show SMILES NC(=N)c1ccc(OC[C@H]2COc3ccc(cc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r| Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-21-11-8-18(12-22(21)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	266	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) using S-2238 as substrate preincubated with enzyme for 15 mins prior to substrate addition measured every 10 ...				Eur J Med Chem 62: 329-40 (2013) Article DOI: 10.1016/j.ejmech.2013.01.002 BindingDB Entry DOI: 10.7270/Q2445NTR
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50124071 (((R)-1-Cyclohexylmethyl-2-oxo-2-{(S)-2-[(4,5,6,7-t...) Show SMILES OC(=O)CN[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C24H37N5O4/c30-22(31)15-25-20(12-16-5-2-1-3-6-16)24(33)29-10-4-7-21(29)23(32)26-13-17-8-9-19-18(11-17)14-27-28-19/h14,16-17,20-21,25H,1-13,15H2,(H,26,32)(H,27,28)(H,30,31)/t17?,20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibitory activity against Thrombin				Bioorg Med Chem Lett 13: 789-94 (2003) BindingDB Entry DOI: 10.7270/Q2F47NH8
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50349614 (CHEMBL1808954) Show SMILES CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C29H30F2N4O5/c1-4-38-28(37)27(36)35(15-18-11-20(30)13-21(31)12-18)22-7-10-25-24(14-22)34(3)16-29(2,40-25)17-39-23-8-5-19(6-9-23)26(32)33/h5-14H,4,15-17H2,1-3H3,(H3,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 4705-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.089 BindingDB Entry DOI: 10.7270/Q2445MTB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50365127 (CHEMBL1952411) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccc(F)c(F)c1)C(=O)C(O)=O Show InChI InChI=1S/C27H26F2N4O5/c1-27(15-37-19-7-4-17(5-8-19)24(30)31)14-32(2)22-10-6-18(12-23(22)38-27)33(25(34)26(35)36)13-16-3-9-20(28)21(29)11-16/h3-12H,13-15H2,1-2H3,(H3,30,31)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50349614 (CHEMBL1808954) Show SMILES CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C29H30F2N4O5/c1-4-38-28(37)27(36)35(15-18-11-20(30)13-21(31)12-18)22-7-10-25-24(14-22)34(3)16-29(2,40-25)17-39-23-8-5-19(6-9-23)26(32)33/h5-14H,4,15-17H2,1-3H3,(H3,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50349611 (CHEMBL1808951 | CHEMBL2216905) Show SMILES CCOC(=O)C(=O)N(Cc1cccc(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C29H31FN4O5/c1-4-37-28(36)27(35)34(16-19-6-5-7-21(30)14-19)22-10-13-25-24(15-22)33(3)17-29(2,39-25)18-38-23-11-8-20(9-12-23)26(31)32/h5-15H,4,16-18H2,1-3H3,(H3,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair

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