Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'ramjit' and Initial = 'hg'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50454822 (CHEMBL2062141 | L-370518) Show SMILES [H][C@@](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC)(C(=O)C(=O)NC)[C@@]1([H])CC[C@H](N)CC1 |wU:1.0,wD:12.13,5.4,32.34,28.30,(9.54,-15.25,;8.45,-16.34,;7.42,-17.49,;5.92,-17.17,;5.44,-15.7,;4.89,-18.31,;5.21,-19.82,;3.87,-20.59,;2.73,-19.56,;3.35,-18.15,;2.58,-16.82,;3.35,-15.48,;1.04,-16.82,;.27,-15.48,;1.04,-14.15,;2.58,-14.15,;3.35,-12.82,;2.58,-11.48,;1.04,-11.48,;.27,-12.82,;.27,-18.15,;-1.27,-18.15,;7.98,-14.88,;6.47,-14.56,;9.01,-13.73,;10.51,-14.05,;8.53,-12.27,;9.56,-11.12,;9.96,-16.66,;8.87,-17.75,;10.99,-15.52,;12.5,-15.84,;12.97,-17.3,;14.48,-17.62,;11.94,-18.45,;10.44,-18.13,)| Show InChI InChI=1S/C25H37N5O4/c1-27-19(15-16-7-4-3-5-8-16)25(34)30-14-6-9-20(30)23(32)29-21(22(31)24(33)28-2)17-10-12-18(26)13-11-17/h3-5,7-8,17-21,27H,6,9-15,26H2,1-2H3,(H,28,33)(H,29,32)/t17-,18-,19-,20+,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards thrombin was determined				J Med Chem 41: 401-6 (1998) Article DOI: 10.1021/jm9705014 BindingDB Entry DOI: 10.7270/Q2H995V2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50057828 ((S)-1-((R)-2-Amino-3,3-diphenyl-propionyl)-pyrroli...) Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1 |wU:21.24,wD:1.0,(8.37,-6.36,;9.7,-5.59,;9.7,-4.05,;11.04,-3.28,;12.58,-3.28,;13.35,-1.94,;12.56,-.61,;11.02,-.62,;10.27,-1.96,;8.35,-3.28,;8.35,-1.74,;7.03,-.97,;5.69,-1.74,;5.69,-3.28,;7.03,-4.05,;11.05,-6.36,;11.05,-7.9,;12.36,-5.59,;12.52,-4.05,;14.03,-3.73,;14.8,-5.05,;13.77,-6.2,;14.1,-7.71,;12.96,-8.74,;15.57,-8.18,;16.72,-7.15,;18.17,-7.61,;18.09,-8.95,;19.1,-10.37,;17.98,-11.46,;19.06,-12.54,;18.09,-10.21,;17.07,-8.71,)| Show InChI InChI=1S/C27H36N4O2/c28-22-15-13-19(14-16-22)18-30-26(32)23-12-7-17-31(23)27(33)25(29)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,19,22-25H,7,12-18,28-29H2,(H,30,32)/t19?,22?,23-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards thrombin was determined				J Med Chem 41: 401-6 (1998) Article DOI: 10.1021/jm9705014 BindingDB Entry DOI: 10.7270/Q2H995V2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060760 ((S)-1-((R)-2-Amino-3,3-dicyclohexyl-propionyl)-pyr...) Show SMILES N[C@H](C(C1CCCCC1)C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)nc1 Show InChI InChI=1S/C26H41N5O2/c27-22-14-13-18(16-29-22)17-30-25(32)21-12-7-15-31(21)26(33)24(28)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h13-14,16,19-21,23-24H,1-12,15,17,28H2,(H2,27,29)(H,30,32)/t21-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50164268 ((S)-1-(9-Hydroxy-9H-fluorene-9-carbonyl)-pyrrolidi...) Show SMILES N[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C2(O)c3ccccc3-c3ccccc23)CC1 |wU:9.8,4.4,wD:1.0,(9.04,3.54,;7.74,2.72,;6.37,3.44,;5.07,2.63,;5.13,1.09,;3.83,.27,;2.46,.99,;1.17,.16,;1.22,-1.38,;-.2,.88,;.28,2.35,;-.97,3.26,;-2.21,2.35,;-1.74,.88,;-2.49,-.45,;-1.72,-1.78,;-4.03,-.45,;-3.28,-1.78,;-4.41,1.06,;-3.65,2.42,;-4.44,3.73,;-5.98,3.71,;-6.74,2.35,;-5.96,1.04,;-6.48,-.54,;-7.82,-1.31,;-7.85,-2.85,;-6.52,-3.64,;-5.17,-2.88,;-5.15,-1.34,;6.49,.37,;7.79,1.18,)| Show InChI InChI=1S/C26H31N3O3/c27-18-13-11-17(12-14-18)16-28-24(30)23-10-5-15-29(23)25(31)26(32)21-8-3-1-6-19(21)20-7-2-4-9-22(20)26/h1-4,6-9,17-18,23,32H,5,10-16,27H2,(H,28,30)/t17-,18-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards thrombin was determined				J Med Chem 41: 401-6 (1998) Article DOI: 10.1021/jm9705014 BindingDB Entry DOI: 10.7270/Q2H995V2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060746 (((R)-2-{(S)-2-[(6-Amino-2,4-dimethyl-pyridin-3-ylm...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C(C1CCCCC1)C1CCCCC1 Show InChI InChI=1S/C33H53N5O4/c1-21-19-27(34)36-22(2)25(21)20-35-30(39)26-17-12-18-38(26)31(40)29(37-32(41)42-33(3,4)5)28(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h19,23-24,26,28-29H,6-18,20H2,1-5H3,(H2,34,36)(H,35,39)(H,37,41)/t26-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50062623 ((S)-1-[2-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-ac...) Show SMILES COc1cc(ccc1O)C(O)C(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1 |wU:17.19,(10.89,-2.92,;9.36,-2.86,;8.54,-4.14,;9.45,-5.36,;8.84,-6.78,;7.33,-6.96,;6.4,-5.72,;7.03,-4.3,;6.1,-3.05,;9.77,-8.01,;8.86,-9.24,;11.28,-8.17,;11.91,-9.57,;12.19,-6.93,;11.72,-5.47,;12.95,-4.57,;14.21,-5.47,;13.72,-6.93,;14.63,-8.17,;14,-9.57,;16.16,-8.01,;16.77,-6.61,;16.37,-5.12,;17.56,-3.8,;16.26,-2.15,;16.28,-.71,;16.84,.74,;15.09,-2.03,;16.37,-3.59,)| Show InChI InChI=1S/C21H31N3O5/c1-29-18-11-14(6-9-17(18)25)19(26)21(28)24-10-2-3-16(24)20(27)23-12-13-4-7-15(22)8-5-13/h6,9,11,13,15-16,19,25-26H,2-5,7-8,10,12,22H2,1H3,(H,23,27)/t13?,15?,16-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards thrombin was determined				J Med Chem 41: 401-6 (1998) Article DOI: 10.1021/jm9705014 BindingDB Entry DOI: 10.7270/Q2H995V2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50062634 ((S)-1-[3-(4-Hydroxy-phenyl)-2-phenyl-propionyl]-py...) Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C(Cc2ccc(O)cc2)c2ccccc2)CC1 |wU:9.8,(13.42,-3.24,;12.86,-4.67,;11.67,-6,;12.95,-7.56,;12.95,-9.1,;13.36,-10.6,;12.74,-11.99,;11.2,-12.16,;10.57,-13.57,;10.31,-10.92,;10.78,-9.45,;9.54,-8.54,;8.29,-9.45,;8.77,-10.92,;7.86,-12.16,;8.47,-13.57,;6.33,-11.99,;5.7,-10.6,;4.16,-10.43,;3.27,-11.68,;1.73,-11.52,;1.1,-10.11,;-.42,-9.94,;2.01,-8.87,;3.54,-9.03,;5.42,-13.25,;3.89,-13.08,;2.99,-14.33,;3.61,-15.73,;5.14,-15.89,;6.05,-14.65,;14.14,-7.77,;12.83,-6.12,)| Show InChI InChI=1S/C27H35N3O3/c28-22-12-8-20(9-13-22)18-29-26(32)25-7-4-16-30(25)27(33)24(21-5-2-1-3-6-21)17-19-10-14-23(31)15-11-19/h1-3,5-6,10-11,14-15,20,22,24-25,31H,4,7-9,12-13,16-18,28H2,(H,29,32)/t20?,22?,24?,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards thrombin was determined				J Med Chem 41: 401-6 (1998) Article DOI: 10.1021/jm9705014 BindingDB Entry DOI: 10.7270/Q2H995V2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50062628 ((S)-1-((S)-2-Amino-2-cyclohexyl-acetyl)-pyrrolidin...) Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1 |wU:14.16,wD:1.0,(3.03,-10.18,;3.66,-11.59,;2.76,-12.82,;1.22,-12.66,;.33,-13.91,;.94,-15.32,;2.48,-15.48,;3.39,-14.24,;5.18,-11.75,;5.81,-13.15,;6.09,-10.51,;5.62,-9.04,;6.86,-8.14,;8.11,-9.04,;7.63,-10.51,;8.54,-11.75,;7.91,-13.15,;10.07,-11.59,;10.68,-10.19,;10.27,-8.7,;10.27,-7.16,;8.99,-5.6,;10.18,-4.27,;10.75,-2.83,;10.16,-5.72,;11.47,-7.37,)| Show InChI InChI=1S/C20H36N4O2/c21-16-10-8-14(9-11-16)13-23-19(25)17-7-4-12-24(17)20(26)18(22)15-5-2-1-3-6-15/h14-18H,1-13,21-22H2,(H,23,25)/t14?,16?,17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards thrombin was determined				J Med Chem 41: 401-6 (1998) Article DOI: 10.1021/jm9705014 BindingDB Entry DOI: 10.7270/Q2H995V2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060739 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethane...) Show SMILES Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NS(=O)(=O)Cc2ccccc2)cn1 Show InChI InChI=1S/C27H29Cl2N5O4S/c28-21-10-8-19(13-22(21)29)14-23(33-39(37,38)17-18-5-2-1-3-6-18)27(36)34-12-4-7-24(34)26(35)32-16-20-9-11-25(30)31-15-20/h1-3,5-6,8-11,13,15,23-24,33H,4,7,12,14,16-17H2,(H2,30,31)(H,32,35)/t23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060741 (((R)-2-{(S)-2-[(6-Amino-pyridin-3-ylmethyl)-carbam...) Show SMILES CC(C)(C)OC(=O)N[C@H](C(C1CCCCC1)C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)nc1 Show InChI InChI=1S/C31H49N5O4/c1-31(2,3)40-30(39)35-27(26(22-11-6-4-7-12-22)23-13-8-5-9-14-23)29(38)36-18-10-15-24(36)28(37)34-20-21-16-17-25(32)33-19-21/h16-17,19,22-24,26-27H,4-15,18,20H2,1-3H3,(H2,32,33)(H,34,37)(H,35,39)/t24-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060755 (((R)-2-{(S)-2-[(6-Amino-2,4-dimethyl-pyridin-3-ylm...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H41N5O4/c1-21-19-27(34)36-22(2)25(21)20-35-30(39)26-17-12-18-38(26)31(40)29(37-32(41)42-33(3,4)5)28(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h6-11,13-16,19,26,28-29H,12,17-18,20H2,1-5H3,(H2,34,36)(H,35,39)(H,37,41)/t26-,29+/m0/s1	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
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060752 ((S)-1-((R)-2-Amino-3,3-dicyclohexyl-propionyl)-pyr...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(C1CCCCC1)C1CCCCC1 Show InChI InChI=1S/C28H45N5O2/c1-18-16-24(29)32-19(2)22(18)17-31-27(34)23-14-9-15-33(23)28(35)26(30)25(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h16,20-21,23,25-26H,3-15,17,30H2,1-2H3,(H2,29,32)(H,31,34)/t23-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50366827 (CHEMBL125181 | L-371912) Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](N)CC1 |wU:16.18,21.22,wD:2.1,24.26,(.43,-4.06,;1.52,-5.16,;3.02,-4.76,;3.15,-3.22,;1.89,-2.34,;2.88,-1.15,;2.33,.28,;.82,.53,;-.16,-.66,;.38,-2.08,;4.42,-5.41,;4.55,-6.95,;5.68,-4.53,;5.69,-2.99,;7.17,-2.53,;8.05,-3.8,;7.12,-5.02,;7.89,-6.35,;7.87,-7.89,;9.38,-5.96,;10.46,-7.04,;11.78,-6.27,;13.32,-6.27,;14.89,-4.99,;16.21,-6.19,;17.54,-5.41,;14.77,-6.16,;13.11,-7.46,)| Show InChI InChI=1S/C22H34N4O2/c1-24-19(14-16-6-3-2-4-7-16)22(28)26-13-5-8-20(26)21(27)25-15-17-9-11-18(23)12-10-17/h2-4,6-7,17-20,24H,5,8-15,23H2,1H3,(H,25,27)/t17-,18-,19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards thrombin was determined				J Med Chem 41: 401-6 (1998) Article DOI: 10.1021/jm9705014 BindingDB Entry DOI: 10.7270/Q2H995V2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50056771 ((2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R)-2-(meth...) Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCC(N)CC1 |wU:16.18,21.22,wD:2.1,(5.43,-11.22,;5.29,-9.68,;6.56,-8.79,;6.43,-7.27,;5.03,-6.59,;3.77,-7.5,;2.37,-6.83,;2.25,-5.29,;3.51,-4.42,;4.91,-5.07,;7.95,-9.44,;8.08,-10.98,;9.21,-8.58,;9.21,-7.04,;10.73,-6.57,;11.61,-7.83,;10.67,-9.07,;11.12,-10.54,;10.07,-11.66,;12.62,-10.89,;13.67,-9.77,;13.22,-8.3,;13.39,-6.83,;12.84,-5.45,;13.92,-4.35,;13.15,-3.02,;13.92,-6.01,;14.44,-7.48,)| Show InChI InChI=1S/C22H34N4O2/c1-24-19(14-16-6-3-2-4-7-16)22(28)26-13-5-8-20(26)21(27)25-15-17-9-11-18(23)12-10-17/h2-4,6-7,17-20,24H,5,8-15,23H2,1H3,(H,25,27)/t17-,18?,19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50060759 (((R)-2-{(S)-2-[(6-Amino-pyridin-3-ylmethyl)-carbam...) Show SMILES CC(C)(C)OC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)nc1 Show InChI InChI=1S/C31H37N5O4/c1-31(2,3)40-30(39)35-27(26(22-11-6-4-7-12-22)23-13-8-5-9-14-23)29(38)36-18-10-15-24(36)28(37)34-20-21-16-17-25(32)33-19-21/h4-9,11-14,16-17,19,24,26-27H,10,15,18,20H2,1-3H3,(H2,32,33)(H,34,37)(H,35,39)/t24-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060745 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethane...) Show SMILES Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NS(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C28H30Cl2N4O4S/c29-23-13-10-21(15-24(23)30)16-25(33-39(37,38)18-20-5-2-1-3-6-20)28(36)34-14-4-7-26(34)27(35)32-17-19-8-11-22(31)12-9-19/h1-3,5-6,8-13,15,25-26,33H,4,7,14,16-18,31H2,(H,32,35)/t25-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060748 ((S)-1-((R)-2-Amino-3,3-diphenyl-propionyl)-pyrroli...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H33N5O2/c1-18-16-24(29)32-19(2)22(18)17-31-27(34)23-14-9-15-33(23)28(35)26(30)25(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,16,23,25-26H,9,14-15,17,30H2,1-2H3,(H2,29,32)(H,31,34)/t23-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060747 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethane...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H33Cl2N5O4S/c1-18-13-27(32)34-19(2)22(18)16-33-28(37)26-9-6-12-36(26)29(38)25(15-21-10-11-23(30)24(31)14-21)35-41(39,40)17-20-7-4-3-5-8-20/h3-5,7-8,10-11,13-14,25-26,35H,6,9,12,15-17H2,1-2H3,(H2,32,34)(H,33,37)/t25-,26+/m1/s1	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
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060751 ((S)-1-((R)-2-Amino-3,3-diphenyl-propionyl)-pyrroli...) Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)nc1 Show InChI InChI=1S/C26H29N5O2/c27-22-14-13-18(16-29-22)17-30-25(32)21-12-7-15-31(21)26(33)24(28)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,13-14,16,21,23-24H,7,12,15,17,28H2,(H2,27,29)(H,30,32)/t21-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060740 ((S)-1-((R)-2-Amino-3,3-dicyclohexyl-propionyl)-pyr...) Show SMILES N[C@H](C(C1CCCCC1)C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1csc(N)n1 Show InChI InChI=1S/C24H39N5O2S/c25-21(20(16-8-3-1-4-9-16)17-10-5-2-6-11-17)23(31)29-13-7-12-19(29)22(30)27-14-18-15-32-24(26)28-18/h15-17,19-21H,1-14,25H2,(H2,26,28)(H,27,30)/t19-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50062624 ((S)-1-(2,3-Dihydro-benzo[1,4]dioxine-2-carbonyl)-p...) Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C2COc3ccccc3O2)CC1 |wU:9.8,(15.05,-.52,;14.47,-1.96,;14.44,-3.4,;15.77,-5.05,;14.58,-6.38,;14.98,-7.87,;14.35,-9.26,;12.84,-9.43,;12.21,-10.82,;11.93,-8.19,;12.4,-6.73,;11.16,-5.82,;9.93,-6.73,;10.4,-8.19,;9.49,-9.43,;10.12,-10.82,;7.95,-9.26,;7.33,-7.85,;5.81,-7.68,;4.91,-8.91,;3.4,-8.75,;2.47,-9.98,;3.09,-11.4,;4.63,-11.57,;5.51,-10.33,;7.05,-10.5,;14.56,-4.85,;13.28,-3.29,)| Show InChI InChI=1S/C21H29N3O4/c22-15-9-7-14(8-10-15)12-23-20(25)16-4-3-11-24(16)21(26)19-13-27-17-5-1-2-6-18(17)28-19/h1-2,5-6,14-16,19H,3-4,7-13,22H2,(H,23,25)/t14?,15?,16-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards thrombin was determined				J Med Chem 41: 401-6 (1998) Article DOI: 10.1021/jm9705014 BindingDB Entry DOI: 10.7270/Q2H995V2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060754 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethane...) Show SMILES Clc1ccc(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)NCc2ccccc2)cc1Cl Show InChI InChI=1S/C28H29Cl2N3O4S/c29-23-14-13-22(16-24(23)30)17-25(32-38(36,37)19-21-10-5-2-6-11-21)28(35)33-15-7-12-26(33)27(34)31-18-20-8-3-1-4-9-20/h1-6,8-11,13-14,16,25-26,32H,7,12,15,17-19H2,(H,31,34)/t25-,26+/m1/s1	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
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060744 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethane...) Show SMILES Nc1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NS(=O)(=O)Cc2ccccc2)cs1 Show InChI InChI=1S/C26H28Cl2N4O4S2/c27-20-9-8-18(11-21(20)28)12-22(31-38(35,36)16-17-5-2-1-3-6-17)26(34)32-10-4-7-23(32)25(33)30-14-19-13-24(29)37-15-19/h1-3,5-6,8-9,11,13,15,22-23,31H,4,7,10,12,14,16,29H2,(H,30,33)/t22-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060742 (((R)-2-{(S)-2-[(2-Amino-thiazol-4-ylmethyl)-carbam...) Show SMILES CC(C)(C)OC(=O)N[C@H](C(C1CCCCC1)C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1csc(N)n1 Show InChI InChI=1S/C29H47N5O4S/c1-29(2,3)38-28(37)33-24(23(19-11-6-4-7-12-19)20-13-8-5-9-14-20)26(36)34-16-10-15-22(34)25(35)31-17-21-18-39-27(30)32-21/h18-20,22-24H,4-17H2,1-3H3,(H2,30,32)(H,31,35)(H,33,37)/t22-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060749 ((S)-1-((R)-2-Amino-3,3-diphenyl-propionyl)-pyrroli...) Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1csc(N)n1 Show InChI InChI=1S/C24H27N5O2S/c25-21(20(16-8-3-1-4-9-16)17-10-5-2-6-11-17)23(31)29-13-7-12-19(29)22(30)27-14-18-15-32-24(26)28-18/h1-6,8-11,15,19-21H,7,12-14,25H2,(H2,26,28)(H,27,30)/t19-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060761 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethane...) Show SMILES Nc1nc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NS(=O)(=O)Cc2ccccc2)cs1 Show InChI InChI=1S/C25H27Cl2N5O4S2/c26-19-9-8-17(11-20(19)27)12-21(31-38(35,36)15-16-5-2-1-3-6-16)24(34)32-10-4-7-22(32)23(33)29-13-18-14-37-25(28)30-18/h1-3,5-6,8-9,11,14,21-22,31H,4,7,10,12-13,15H2,(H2,28,30)(H,29,33)/t21-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060757 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethane...) Show SMILES Clc1ccc(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)NCc2cccnc2)cc1Cl Show InChI InChI=1S/C27H28Cl2N4O4S/c28-22-11-10-20(14-23(22)29)15-24(32-38(36,37)18-19-6-2-1-3-7-19)27(35)33-13-5-9-25(33)26(34)31-17-21-8-4-12-30-16-21/h1-4,6-8,10-12,14,16,24-25,32H,5,9,13,15,17-18H2,(H,31,34)/t24-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50060739 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethane...) Show SMILES Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NS(=O)(=O)Cc2ccccc2)cn1 Show InChI InChI=1S/C27H29Cl2N5O4S/c28-21-10-8-19(13-22(21)29)14-23(33-39(37,38)17-18-5-2-1-3-6-18)27(36)34-12-4-7-24(34)26(35)32-16-20-9-11-25(30)31-15-20/h1-3,5-6,8-11,13,15,23-24,33H,4,7,12,14,16-17H2,(H2,30,31)(H,32,35)/t23-,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine trypsin				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060750 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethane...) Show SMILES Clc1ccc(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)NCc2ccncc2)cc1Cl Show InChI InChI=1S/C27H28Cl2N4O4S/c28-22-9-8-21(15-23(22)29)16-24(32-38(36,37)18-20-5-2-1-3-6-20)27(35)33-14-4-7-25(33)26(34)31-17-19-10-12-30-13-11-19/h1-3,5-6,8-13,15,24-25,32H,4,7,14,16-18H2,(H,31,34)/t24-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060756 (((R)-2-{(S)-2-[(5-Amino-thiophen-3-ylmethyl)-carba...) Show SMILES CC(C)(C)OC(=O)N[C@H](C(C1CCCCC1)C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1csc(N)c1 Show InChI InChI=1S/C30H48N4O4S/c1-30(2,3)38-29(37)33-26(25(21-11-6-4-7-12-21)22-13-8-5-9-14-22)28(36)34-16-10-15-23(34)27(35)32-18-20-17-24(31)39-19-20/h17,19,21-23,25-26H,4-16,18,31H2,1-3H3,(H,32,35)(H,33,37)/t23-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50060741 (((R)-2-{(S)-2-[(6-Amino-pyridin-3-ylmethyl)-carbam...) Show SMILES CC(C)(C)OC(=O)N[C@H](C(C1CCCCC1)C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)nc1 Show InChI InChI=1S/C31H49N5O4/c1-31(2,3)40-30(39)35-27(26(22-11-6-4-7-12-22)23-13-8-5-9-14-23)29(38)36-18-10-15-24(36)28(37)34-20-21-16-17-25(32)33-19-21/h16-17,19,22-24,26-27H,4-15,18,20H2,1-3H3,(H2,32,33)(H,34,37)(H,35,39)/t24-,27+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	657	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine trypsin				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50164268 ((S)-1-(9-Hydroxy-9H-fluorene-9-carbonyl)-pyrrolidi...) Show SMILES N[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C2(O)c3ccccc3-c3ccccc23)CC1 |wU:9.8,4.4,wD:1.0,(9.04,3.54,;7.74,2.72,;6.37,3.44,;5.07,2.63,;5.13,1.09,;3.83,.27,;2.46,.99,;1.17,.16,;1.22,-1.38,;-.2,.88,;.28,2.35,;-.97,3.26,;-2.21,2.35,;-1.74,.88,;-2.49,-.45,;-1.72,-1.78,;-4.03,-.45,;-3.28,-1.78,;-4.41,1.06,;-3.65,2.42,;-4.44,3.73,;-5.98,3.71,;-6.74,2.35,;-5.96,1.04,;-6.48,-.54,;-7.82,-1.31,;-7.85,-2.85,;-6.52,-3.64,;-5.17,-2.88,;-5.15,-1.34,;6.49,.37,;7.79,1.18,)| Show InChI InChI=1S/C26H31N3O3/c27-18-13-11-17(12-14-18)16-28-24(30)23-10-5-15-29(23)25(31)26(32)21-8-3-1-6-19(21)20-7-2-4-9-22(20)26/h1-4,6-9,17-18,23,32H,5,10-16,27H2,(H,28,30)/t17-,18-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards trypsin was determined				J Med Chem 41: 401-6 (1998) Article DOI: 10.1021/jm9705014 BindingDB Entry DOI: 10.7270/Q2H995V2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060753 (((R)-2-{(S)-2-[(2-Amino-thiazol-4-ylmethyl)-carbam...) Show SMILES CC(C)(C)OC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1csc(N)n1 Show InChI InChI=1S/C29H35N5O4S/c1-29(2,3)38-28(37)33-24(23(19-11-6-4-7-12-19)20-13-8-5-9-14-20)26(36)34-16-10-15-22(34)25(35)31-17-21-18-39-27(30)32-21/h4-9,11-14,18,22-24H,10,15-17H2,1-3H3,(H2,30,32)(H,31,35)(H,33,37)/t22-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50060760 ((S)-1-((R)-2-Amino-3,3-dicyclohexyl-propionyl)-pyr...) Show SMILES N[C@H](C(C1CCCCC1)C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)nc1 Show InChI InChI=1S/C26H41N5O2/c27-22-14-13-18(16-29-22)17-30-25(32)21-12-7-15-31(21)26(33)24(28)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h13-14,16,19-21,23-24H,1-12,15,17,28H2,(H2,27,29)(H,30,32)/t21-,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine trypsin				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50060759 (((R)-2-{(S)-2-[(6-Amino-pyridin-3-ylmethyl)-carbam...) Show SMILES CC(C)(C)OC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)nc1 Show InChI InChI=1S/C31H37N5O4/c1-31(2,3)40-30(39)35-27(26(22-11-6-4-7-12-22)23-13-8-5-9-14-23)29(38)36-18-10-15-24(36)28(37)34-20-21-16-17-25(32)33-19-21/h4-9,11-14,16-17,19,24,26-27H,10,15,18,20H2,1-3H3,(H2,32,33)(H,34,37)(H,35,39)/t24-,27+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine trypsin				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50060746 (((R)-2-{(S)-2-[(6-Amino-2,4-dimethyl-pyridin-3-ylm...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C(C1CCCCC1)C1CCCCC1 Show InChI InChI=1S/C33H53N5O4/c1-21-19-27(34)36-22(2)25(21)20-35-30(39)26-17-12-18-38(26)31(40)29(37-32(41)42-33(3,4)5)28(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h19,23-24,26,28-29H,6-18,20H2,1-5H3,(H2,34,36)(H,35,39)(H,37,41)/t26-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine trypsin				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50060755 (((R)-2-{(S)-2-[(6-Amino-2,4-dimethyl-pyridin-3-ylm...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H41N5O4/c1-21-19-27(34)36-22(2)25(21)20-35-30(39)26-17-12-18-38(26)31(40)29(37-32(41)42-33(3,4)5)28(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h6-11,13-16,19,26,28-29H,12,17-18,20H2,1-5H3,(H2,34,36)(H,35,39)(H,37,41)/t26-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine trypsin				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50060752 ((S)-1-((R)-2-Amino-3,3-dicyclohexyl-propionyl)-pyr...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(C1CCCCC1)C1CCCCC1 Show InChI InChI=1S/C28H45N5O2/c1-18-16-24(29)32-19(2)22(18)17-31-27(34)23-14-9-15-33(23)28(35)26(30)25(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h16,20-21,23,25-26H,3-15,17,30H2,1-2H3,(H2,29,32)(H,31,34)/t23-,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine trypsin				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50060758 (CHEMBL331160 | {(R)-2-[(S)-2-(4-Amino-benzylcarbam...) Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)cc1 Show InChI InChI=1S/C26H34N4O4/c1-26(2,3)34-25(33)29-21(16-18-8-5-4-6-9-18)24(32)30-15-7-10-22(30)23(31)28-17-19-11-13-20(27)14-12-19/h4-6,8-9,11-14,21-22H,7,10,15-17,27H2,1-3H3,(H,28,31)(H,29,33)/t21-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50060741 (((R)-2-{(S)-2-[(6-Amino-pyridin-3-ylmethyl)-carbam...) Show SMILES CC(C)(C)OC(=O)N[C@H](C(C1CCCCC1)C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)nc1 Show InChI InChI=1S/C31H49N5O4/c1-31(2,3)40-30(39)35-27(26(22-11-6-4-7-12-22)23-13-8-5-9-14-23)29(38)36-18-10-15-24(36)28(37)34-20-21-16-17-25(32)33-19-21/h16-17,19,22-24,26-27H,4-15,18,20H2,1-3H3,(H2,32,33)(H,34,37)(H,35,39)/t24-,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Coagulation factor X				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50060742 (((R)-2-{(S)-2-[(2-Amino-thiazol-4-ylmethyl)-carbam...) Show SMILES CC(C)(C)OC(=O)N[C@H](C(C1CCCCC1)C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1csc(N)n1 Show InChI InChI=1S/C29H47N5O4S/c1-29(2,3)38-28(37)33-24(23(19-11-6-4-7-12-19)20-13-8-5-9-14-20)26(36)34-16-10-15-22(34)25(35)31-17-21-18-39-27(30)32-21/h18-20,22-24H,4-17H2,1-3H3,(H2,30,32)(H,31,35)(H,33,37)/t22-,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro iinhibitory activity against bovine trypsin				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50060751 ((S)-1-((R)-2-Amino-3,3-diphenyl-propionyl)-pyrroli...) Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)nc1 Show InChI InChI=1S/C26H29N5O2/c27-22-14-13-18(16-29-22)17-30-25(32)21-12-7-15-31(21)26(33)24(28)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,13-14,16,21,23-24H,7,12,15,17,28H2,(H2,27,29)(H,30,32)/t21-,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine trypsin				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50060739 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethane...) Show SMILES Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NS(=O)(=O)Cc2ccccc2)cn1 Show InChI InChI=1S/C27H29Cl2N5O4S/c28-21-10-8-19(13-22(21)29)14-23(33-39(37,38)17-18-5-2-1-3-6-18)27(36)34-12-4-7-24(34)26(35)32-16-20-9-11-25(30)31-15-20/h1-3,5-6,8-11,13,15,23-24,33H,4,7,12,14,16-17H2,(H2,30,31)(H,32,35)/t23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Coagulation factor X				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50060760 ((S)-1-((R)-2-Amino-3,3-dicyclohexyl-propionyl)-pyr...) Show SMILES N[C@H](C(C1CCCCC1)C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)nc1 Show InChI InChI=1S/C26H41N5O2/c27-22-14-13-18(16-29-22)17-30-25(32)21-12-7-15-31(21)26(33)24(28)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h13-14,16,19-21,23-24H,1-12,15,17,28H2,(H2,27,29)(H,30,32)/t21-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Coagulation factor X				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50060748 ((S)-1-((R)-2-Amino-3,3-diphenyl-propionyl)-pyrroli...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H33N5O2/c1-18-16-24(29)32-19(2)22(18)17-31-27(34)23-14-9-15-33(23)28(35)26(30)25(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,16,23,25-26H,9,14-15,17,30H2,1-2H3,(H2,29,32)(H,31,34)/t23-,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine trypsin				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50060747 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethane...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H33Cl2N5O4S/c1-18-13-27(32)34-19(2)22(18)16-33-28(37)26-9-6-12-36(26)29(38)25(15-21-10-11-23(30)24(31)14-21)35-41(39,40)17-20-7-4-3-5-8-20/h3-5,7-8,10-11,13-14,25-26,35H,6,9,12,15-17H2,1-2H3,(H2,32,34)(H,33,37)/t25-,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine trypsin				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50060745 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethane...) Show SMILES Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NS(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C28H30Cl2N4O4S/c29-23-13-10-21(15-24(23)30)16-25(33-39(37,38)18-20-5-2-1-3-6-20)28(36)34-14-4-7-26(34)27(35)32-17-19-8-11-22(31)12-9-19/h1-3,5-6,8-13,15,25-26,33H,4,7,14,16-18,31H2,(H,32,35)/t25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Coagulation factor X				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50056771 ((2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R)-2-(meth...) Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCC(N)CC1 |wU:16.18,21.22,wD:2.1,(5.43,-11.22,;5.29,-9.68,;6.56,-8.79,;6.43,-7.27,;5.03,-6.59,;3.77,-7.5,;2.37,-6.83,;2.25,-5.29,;3.51,-4.42,;4.91,-5.07,;7.95,-9.44,;8.08,-10.98,;9.21,-8.58,;9.21,-7.04,;10.73,-6.57,;11.61,-7.83,;10.67,-9.07,;11.12,-10.54,;10.07,-11.66,;12.62,-10.89,;13.67,-9.77,;13.22,-8.3,;13.39,-6.83,;12.84,-5.45,;13.92,-4.35,;13.15,-3.02,;13.92,-6.01,;14.44,-7.48,)| Show InChI InChI=1S/C22H34N4O2/c1-24-19(14-16-6-3-2-4-7-16)22(28)26-13-5-8-20(26)21(27)25-15-17-9-11-18(23)12-10-17/h2-4,6-7,17-20,24H,5,8-15,23H2,1H3,(H,25,27)/t17-,18?,19-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine trypsin				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50060745 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethane...) Show SMILES Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NS(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C28H30Cl2N4O4S/c29-23-13-10-21(15-24(23)30)16-25(33-39(37,38)18-20-5-2-1-3-6-20)28(36)34-14-4-7-26(34)27(35)32-17-19-8-11-22(31)12-9-19/h1-3,5-6,8-13,15,25-26,33H,4,7,14,16-18,31H2,(H,32,35)/t25-,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine trypsin				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50060754 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethane...) Show SMILES Clc1ccc(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)NCc2ccccc2)cc1Cl Show InChI InChI=1S/C28H29Cl2N3O4S/c29-23-14-13-22(16-24(23)30)17-25(32-38(36,37)19-21-10-5-2-6-11-21)28(35)33-15-7-12-26(33)27(34)31-18-20-8-3-1-4-9-20/h1-6,8-11,13-14,16,25-26,32H,7,12,15,17-19H2,(H,31,34)/t25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Coagulation factor X				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair

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