Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'lucas' and Initial = 'h'   

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))	BDBM50118719 (7-Amino-3-{[1-(2-amino-3-cyclohexyl-propionyl)-pyr...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1CCCCC1)C(=O)C(O)=O Show InChI InChI=1S/C21H36N4O5/c22-11-5-4-9-16(18(26)21(29)30)24-19(27)17-10-6-12-25(17)20(28)15(23)13-14-7-2-1-3-8-14/h14-17H,1-13,22-23H2,(H,24,27)(H,29,30)/t15-,16+,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118730 (7-Amino-3-(2-{[2-(carboxymethyl-amino)-3-cyclohexy...) Show SMILES NCCCC[C@H](NC(=O)CN(C1CCCC1)C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)C(O)=O Show InChI InChI=1S/C25H42N4O7/c26-13-7-6-12-19(23(33)25(35)36)28-21(30)16-29(18-10-4-5-11-18)24(34)20(27-15-22(31)32)14-17-8-2-1-3-9-17/h17-20,27H,1-16,26H2,(H,28,30)(H,31,32)(H,35,36)/t19-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118728 (7-Amino-3-({1-[2-(carboxymethyl-amino)-3-cyclohexy...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)C(O)=O Show InChI InChI=1S/C24H40N4O7/c25-12-6-4-10-17(21(31)24(34)35)27-22(32)19-11-5-7-13-28(19)23(33)18(26-15-20(29)30)14-16-8-2-1-3-9-16/h16-19,26H,1-15,25H2,(H,27,32)(H,29,30)(H,34,35)/t17-,18+,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118739 (7-Amino-3-({1-[2-(carboxymethyl-amino)-3-cyclohexy...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)C(O)=O Show InChI InChI=1S/C23H38N4O7/c24-11-5-4-9-16(20(30)23(33)34)26-21(31)18-10-6-12-27(18)22(32)17(25-14-19(28)29)13-15-7-2-1-3-8-15/h15-18,25H,1-14,24H2,(H,26,31)(H,28,29)(H,33,34)/t16-,17+,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118732 (1-(2-Amino-3-phenyl-propionyl)-pyrrolidine-2-carbo...) Show SMILES NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(CCCNC(N)=N)C(=O)c1nccs1 Show InChI InChI=1S/C23H31N7O3S/c24-16(14-15-6-2-1-3-7-15)22(33)30-12-5-9-18(30)20(32)29-17(8-4-10-28-23(25)26)19(31)21-27-11-13-34-21/h1-3,6-7,11,13,16-18H,4-5,8-10,12,14,24H2,(H,29,32)(H4,25,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118729 (7-Amino-3-({1-[2-(carboxymethyl-amino)-3-cyclohexy...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C=CCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)C(O)=O |c:10| Show InChI InChI=1S/C23H36N4O7/c24-11-5-4-9-16(20(30)23(33)34)26-21(31)18-10-6-12-27(18)22(32)17(25-14-19(28)29)13-15-7-2-1-3-8-15/h6,10,15-18,25H,1-5,7-9,11-14,24H2,(H,26,31)(H,28,29)(H,33,34)/t16-,17+,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118731 ((2-{2-[5-Amino-1-(oxazole-2-carbonyl)-pentylcarbam...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)c1ncco1 Show InChI InChI=1S/C25H39N5O6/c26-11-5-4-9-18(22(33)24-27-12-14-36-24)29-23(34)20-10-6-13-30(20)25(35)19(28-16-21(31)32)15-17-7-2-1-3-8-17/h12,14,17-20,28H,1-11,13,15-16,26H2,(H,29,34)(H,31,32)/t18-,19+,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118735 (7-Amino-3-({1-[2-(carboxymethyl-amino)-3-cyclohexy...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)C(O)=O Show InChI InChI=1S/C22H36N4O7/c23-10-5-4-8-15(19(29)22(32)33)25-20(30)17-9-11-26(17)21(31)16(24-13-18(27)28)12-14-6-2-1-3-7-14/h14-17,24H,1-13,23H2,(H,25,30)(H,27,28)(H,32,33)/t15-,16+,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118738 (7-Amino-3-({1-[2-(carboxymethyl-amino)-3-cyclohexy...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CC2CCCCC2N1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)C(O)=O Show InChI InChI=1S/C27H44N4O7/c28-13-7-6-11-19(24(34)27(37)38)30-25(35)22-15-18-10-4-5-12-21(18)31(22)26(36)20(29-16-23(32)33)14-17-8-2-1-3-9-17/h17-22,29H,1-16,28H2,(H,30,35)(H,32,33)(H,37,38)/t18?,19-,20+,21?,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118718 (CHEMBL343804 | {2-[2-(5-Amino-1-phenethylaminooxal...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C31H47N5O6/c32-17-8-7-14-24(28(39)30(41)33-18-16-22-10-3-1-4-11-22)35-29(40)26-15-9-19-36(26)31(42)25(34-21-27(37)38)20-23-12-5-2-6-13-23/h1,3-4,10-11,23-26,34H,2,5-9,12-21,32H2,(H,33,41)(H,35,40)(H,37,38)/t24-,25+,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118723 (CHEMBL342672 | CYCLOTHEONAMIDE A | N-[14-Benzyl-18...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)\[#6]=[#6]\[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-1=O)-[#7]-[#6]=O |r,t:24| Show InChI InChI=1S/C36H45N9O8/c37-36(38)39-16-4-8-26-31(49)34(52)44-27(19-22-6-2-1-3-7-22)32(50)42-24(18-23-10-13-25(47)14-11-23)12-15-30(48)40-20-28(41-21-46)35(53)45-17-5-9-29(45)33(51)43-26/h1-3,6-7,10-15,21,24,26-29,47H,4-5,8-9,16-20H2,(H,40,48)(H,41,46)(H,42,50)(H,43,51)(H,44,52)(H4,37,38,39)/b15-12+/t24-,26+,27-,28+,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118727 (2-((R)-1-((S)-2-(((S)-7-amino-1-isopropoxy-1,2-dio...) Show SMILES CC(C)OC(=O)C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O Show InChI InChI=1S/C26H44N4O7/c1-17(2)37-26(36)23(33)19(11-6-7-13-27)29-24(34)21-12-8-14-30(21)25(35)20(28-16-22(31)32)15-18-9-4-3-5-10-18/h17-21,28H,3-16,27H2,1-2H3,(H,29,34)(H,31,32)/t19-,20+,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118720 (7-Amino-3-{[1-(2-amino-3-phenyl-propionyl)-pyrroli...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)C(O)=O Show InChI InChI=1S/C21H30N4O5/c22-11-5-4-9-16(18(26)21(29)30)24-19(27)17-10-6-12-25(17)20(28)15(23)13-14-7-2-1-3-8-14/h1-3,7-8,15-17H,4-6,9-13,22-23H2,(H,24,27)(H,29,30)/t15-,16+,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118717 ((S)-N-((S)-6-amino-1-oxo-1-(thiazol-2-yl)hexan-2-y...) Show SMILES CCS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)c1nccs1 Show InChI InChI=1S/C25H41N5O5S2/c1-2-37(34,35)29-20(17-18-9-4-3-5-10-18)25(33)30-15-8-12-21(30)23(32)28-19(11-6-7-13-26)22(31)24-27-14-16-36-24/h14,16,18-21,29H,2-13,15,17,26H2,1H3,(H,28,32)/t19-,20+,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM29388 (Exanta | Melagatran | US11584714, Compound 999) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1 Show InChI InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50118737 ((2-{2-[5-Amino-1-(thiazole-2-carbonyl)-pentylcarba...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)c1nccs1 Show InChI InChI=1S/C25H39N5O5S/c26-11-5-4-9-18(22(33)24-27-12-14-36-24)29-23(34)20-10-6-13-30(20)25(35)19(28-16-21(31)32)15-17-7-2-1-3-8-17/h12,14,17-20,28H,1-11,13,15-16,26H2,(H,29,34)(H,31,32)/t18-,19+,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118721 ((S)-N-((S)-6-amino-1-oxo-1-(thiazol-2-yl)hexan-2-y...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1CCCCC1)C(=O)c1nccs1 Show InChI InChI=1S/C23H37N5O3S/c24-11-5-4-9-18(20(29)22-26-12-14-32-22)27-21(30)19-10-6-13-28(19)23(31)17(25)15-16-7-2-1-3-8-16/h12,14,16-19H,1-11,13,15,24-25H2,(H,27,30)/t17-,18+,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118722 (2-Amino-N-{[5-amino-1-(thiazole-2-carbonyl)-pentyl...) Show SMILES NCCCC[C@H](NC(=O)CN(C1CC1)C(=O)[C@H](N)CC1CCCCC1)C(=O)c1nccs1 Show InChI InChI=1S/C23H37N5O3S/c24-11-5-4-8-19(21(30)22-26-12-13-32-22)27-20(29)15-28(17-9-10-17)23(31)18(25)14-16-6-2-1-3-7-16/h12-13,16-19H,1-11,14-15,24-25H2,(H,27,29)/t18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073316 (CHEMBL114715 | INOGATRAN | {(R)-1-Cyclohexylmethyl...) Show SMILES NC(=N)NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O Show InChI InChI=1S/C21H38N6O4/c22-21(23)25-11-6-10-24-19(30)17-9-4-5-12-27(17)20(31)16(26-14-18(28)29)13-15-7-2-1-3-8-15/h15-17,26H,1-14H2,(H,24,30)(H,28,29)(H4,22,23,25)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NV Organon Scientific Development Group Curated by ChEMBL					Assay Description The inhibitory activity of the compound was tested against thrombin (IIa)				Bioorg Med Chem Lett 8: 3603-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z5B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50118725 (7-Amino-3-{[1-(3-carboxy-2-phenylmethanesulfonylam...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NS(=O)(=O)Cc1ccccc1)C(=O)C(O)=O Show InChI InChI=1S/C23H32N4O9S/c24-11-5-4-9-16(20(30)23(33)34)25-21(31)18-10-6-12-27(18)22(32)17(13-19(28)29)26-37(35,36)14-15-7-2-1-3-8-15/h1-3,7-8,16-18,26H,4-6,9-14,24H2,(H,25,31)(H,28,29)(H,33,34)/t16-,17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50038001 ((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...) Show SMILES C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12 Show InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118734 (6-Amino-2-[2-(5-{[1-(2-amino-3-phenyl-propionyl)-p...) Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C38H55N9O7/c39-20-8-7-15-29(37(53)54)46-34(50)30(24-26-13-5-2-6-14-26)44-33(49)19-18-32(48)28(16-9-21-43-38(41)42)45-35(51)31-17-10-22-47(31)36(52)27(40)23-25-11-3-1-4-12-25/h1-6,11-14,27-31H,7-10,15-24,39-40H2,(H,44,49)(H,45,51)(H,46,50)(H,53,54)(H4,41,42,43)/t27-,28+,29+,30+,31+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118724 ((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C23H31N5O3S/c24-11-5-4-9-18(20(29)22-26-12-14-32-22)27-21(30)19-10-6-13-28(19)23(31)17(25)15-16-7-2-1-3-8-16/h1-3,7-8,12,14,17-19H,4-6,9-11,13,15,24-25H2,(H,27,30)/t17-,18+,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	146	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118716 ((S)-1-(3,3-diphenyl-propionyl)-pyrrolidine-2-carbo...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C29H34N4O3S/c30-16-8-7-14-24(27(35)29-31-17-19-37-29)32-28(36)25-15-9-18-33(25)26(34)20-23(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-6,10-13,17,19,23-25H,7-9,14-16,18,20,30H2,(H,32,36)/t24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118715 (7-Amino-3-({1-[2-(carboxymethyl-amino)-3-cyclohexy...) Show SMILES CC1(C)CCN([C@@H]1C(=O)N[C@@H](CCCCN)C(=O)C(O)=O)C(=O)[C@@H](CC1CCCCC1)NCC(O)=O Show InChI InChI=1S/C25H42N4O7/c1-25(2)11-13-29(21(25)22(33)28-17(10-6-7-12-26)20(32)24(35)36)23(34)18(27-15-19(30)31)14-16-8-4-3-5-9-16/h16-18,21,27H,3-15,26H2,1-2H3,(H,28,33)(H,30,31)(H,35,36)/t17-,18+,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	376	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50073316 (CHEMBL114715 | INOGATRAN | {(R)-1-Cyclohexylmethyl...) Show SMILES NC(=N)NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O Show InChI InChI=1S/C21H38N6O4/c22-21(23)25-11-6-10-24-19(30)17-9-4-5-12-27(17)20(31)16(26-14-18(28)29)13-15-7-2-1-3-8-15/h15-17,26H,1-14H2,(H,24,30)(H,28,29)(H4,22,23,25)/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	675	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NV Organon Scientific Development Group Curated by ChEMBL					Assay Description The inhibitory activity of the compound was tested against trypsin				Bioorg Med Chem Lett 8: 3603-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z5B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50118714 (7-Methoxy-naphthalene-2-sulfonic acid [5-amino-1-(...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@@H](CCCCN)C(=O)c1nccs1 Show InChI InChI=1S/C20H23N3O4S2/c1-27-16-7-5-14-6-8-17(13-15(14)12-16)29(25,26)23-18(4-2-3-9-21)19(24)20-22-10-11-28-20/h5-8,10-13,18,23H,2-4,9,21H2,1H3/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118733 (1-(3,3-Diphenyl-propionyl)-pyrrolidine-2-carboxyli...) Show SMILES OCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C29H33N3O4S/c33-18-8-7-14-24(27(35)29-30-16-19-37-29)31-28(36)25-15-9-17-32(25)26(34)20-23(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-6,10-13,16,19,23-25,33H,7-9,14-15,17-18,20H2,(H,31,36)/t24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118736 (7-Methoxy-naphthalene-2-sulfonic acid [5-amino-1-(...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@@H](CCCCN)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C23H33N3O4S/c1-17-10-13-26(14-11-17)23(27)22(5-3-4-12-24)25-31(28,29)21-9-7-18-6-8-20(30-2)15-19(18)16-21/h6-9,15-17,22,25H,3-5,10-14,24H2,1-2H3/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118726 (CHEMBL334701 | N-[5-Amino-1-(thiazole-2-carbonyl)-...) Show SMILES NCCCC[C@H](NC(=O)CN(C1CC1)C1Cc2ccccc2C1)C(=O)c1nccs1 Show InChI InChI=1S/C23H30N4O2S/c24-10-4-3-7-20(22(29)23-25-11-12-30-23)26-21(28)15-27(18-8-9-18)19-13-16-5-1-2-6-17(16)14-19/h1-2,5-6,11-12,18-20H,3-4,7-10,13-15,24H2,(H,26,28)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50233026 (CHEMBL403138 | N-((1S,13bR)-6-chloro-1,3,4,13b-tet...) Show SMILES FC(F)(F)C(=O)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1ccc(Cl)cc21 Show InChI InChI=1S/C19H16ClF3N2O2/c20-11-7-8-16-14(10-11)25-9-3-5-13(24-18(26)19(21,22)23)17(25)12-4-1-2-6-15(12)27-16/h1-2,4,6-8,10,13,17H,3,5,9H2,(H,24,26)/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
N.V. Organon Curated by ChEMBL					Assay Description Inhibition of progesterone receptor expressed in CHO cells by luciferase assay				Bioorg Med Chem Lett 18: 1461-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.065 BindingDB Entry DOI: 10.7270/Q2BK1C3V
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50233007 (CHEMBL403139 | N-((1S,13bR)-6-chloro-1,2,3,4,9,13b...) Show SMILES FC(F)(F)C(=O)N[C@H]1CCCN2[C@@H]1c1ccccc1Cc1ccc(Cl)cc21 Show InChI InChI=1S/C20H18ClF3N2O/c21-14-8-7-13-10-12-4-1-2-5-15(12)18-16(25-19(27)20(22,23)24)6-3-9-26(18)17(13)11-14/h1-2,4-5,7-8,11,16,18H,3,6,9-10H2,(H,25,27)/t16-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
N.V. Organon Curated by ChEMBL					Assay Description Inhibition of progesterone receptor expressed in CHO cells by luciferase assay				Bioorg Med Chem Lett 18: 1461-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.065 BindingDB Entry DOI: 10.7270/Q2BK1C3V
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50233014 ((rac)-N-(6-chloro-1,3,4,13b-tetrahydro-2H-9-oxa-4a...) Show SMILES FC(F)(F)C(=O)NC1CCCN2C1c1ccccc1Oc1ccc(Cl)cc21 |w:12.11,7.6| Show InChI InChI=1S/C19H16ClF3N2O2/c20-11-7-8-16-14(10-11)25-9-3-5-13(24-18(26)19(21,22)23)17(25)12-4-1-2-6-15(12)27-16/h1-2,4,6-8,10,13,17H,3,5,9H2,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
N.V. Organon Curated by ChEMBL					Assay Description Inhibition of progesterone receptor expressed in CHO cells by luciferase assay				Bioorg Med Chem Lett 18: 1461-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.065 BindingDB Entry DOI: 10.7270/Q2BK1C3V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075822 ((S)-N-[1-(1-Amino-isoquinolin-6-ylmethyl)-2-oxo-2-...) Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NC(Cc1ccc2c(N)nccc2c1)C(=O)N1CCCCC1 Show InChI InChI=1S/C35H47N5O7S/c1-21-17-29(46-7)22(2)23(3)31(21)48(44,45)39-27(20-30(41)47-35(4,5)6)33(42)38-28(34(43)40-15-9-8-10-16-40)19-24-11-12-26-25(18-24)13-14-37-32(26)36/h11-14,17-18,27-28,39H,8-10,15-16,19-20H2,1-7H3,(H2,36,37)(H,38,42)/t27-,28?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
NV Organon Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against thrombin				Bioorg Med Chem Lett 9: 685-90 (1999) BindingDB Entry DOI: 10.7270/Q2KK9C89
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073322 (((R)-2-Cyclohexyl-1-{cyclopentyl-[(3-guanidino-pro...) Show SMILES NC(=N)NCCCNOC(=O)CN(C1CCCC1)C(=O)[C@@H](CC1CCCCC1)NCC(O)=O Show InChI InChI=1S/C22H40N6O5/c23-22(24)25-11-6-12-27-33-20(31)15-28(17-9-4-5-10-17)21(32)18(26-14-19(29)30)13-16-7-2-1-3-8-16/h16-18,26-27H,1-15H2,(H,29,30)(H4,23,24,25)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
NV Organon Scientific Development Group Curated by ChEMBL					Assay Description Inhibition of thrombin (IIa)				Bioorg Med Chem Lett 8: 3603-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z5B
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50233013 (CHEMBL253944 | N-((1S,13bR)-6-chloro-1,3,4,13b-tet...) Show SMILES NC(=N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1ccc(Cl)cc21)C(F)(F)F |w:1.0| Show InChI InChI=1S/C19H17ClF3N3O/c20-11-7-8-16-14(10-11)26-9-3-5-13(25-18(24)19(21,22)23)17(26)12-4-1-2-6-15(12)27-16/h1-2,4,6-8,10,13,17H,3,5,9H2,(H2,24,25)/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
N.V. Organon Curated by ChEMBL					Assay Description Inhibition of progesterone receptor expressed in CHO cells by luciferase assay				Bioorg Med Chem Lett 18: 1461-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.065 BindingDB Entry DOI: 10.7270/Q2BK1C3V
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES NC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
NV Organon Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against trypsin				Bioorg Med Chem Lett 9: 685-90 (1999) BindingDB Entry DOI: 10.7270/Q2KK9C89
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50233009 (CHEMBL253734 | N-((1S,13bR)-6-chloro-1,3,4,13b-tet...) Show SMILES CC(=O)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1ccc(Cl)cc21 Show InChI InChI=1S/C19H19ClN2O2/c1-12(23)21-15-6-4-10-22-16-11-13(20)8-9-18(16)24-17-7-3-2-5-14(17)19(15)22/h2-3,5,7-9,11,15,19H,4,6,10H2,1H3,(H,21,23)/t15-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	193	n/a	n/a	n/a	n/a	n/a	n/a
N.V. Organon Curated by ChEMBL					Assay Description Inhibition of progesterone receptor expressed in CHO cells by luciferase assay				Bioorg Med Chem Lett 18: 1461-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.065 BindingDB Entry DOI: 10.7270/Q2BK1C3V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073311 (((R)-2-Cyclohexyl-1-{cyclopentyl-[(3-guanidino-3-o...) Show SMILES NC(=N)NC(=O)CCNC(=O)CN(C1CCCC1)C(=O)[C@@H](CC1CCCCC1)NCC(O)=O Show InChI InChI=1S/C22H38N6O5/c23-22(24)27-18(29)10-11-25-19(30)14-28(16-8-4-5-9-16)21(33)17(26-13-20(31)32)12-15-6-2-1-3-7-15/h15-17,26H,1-14H2,(H,25,30)(H,31,32)(H4,23,24,27,29)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
NV Organon Scientific Development Group Curated by ChEMBL					Assay Description Inhibition of thrombin (IIa)				Bioorg Med Chem Lett 8: 3603-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z5B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073320 (((R)-2-Cyclohexyl-1-{cyclopentyl-[(3-guanidino-3-o...) Show SMILES NC(=N)NC(=O)CCNOC(=O)CN(C1CCCC1)C(=O)[C@@H](CC1CCCCC1)NCC(O)=O Show InChI InChI=1S/C22H38N6O6/c23-22(24)27-18(29)10-11-26-34-20(32)14-28(16-8-4-5-9-16)21(33)17(25-13-19(30)31)12-15-6-2-1-3-7-15/h15-17,25-26H,1-14H2,(H,30,31)(H4,23,24,27,29)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
NV Organon Scientific Development Group Curated by ChEMBL					Assay Description Inhibition of thrombin (IIa)				Bioorg Med Chem Lett 8: 3603-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z5B
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50233028 (1-((1S,13bR)-6-chloro-1,3,4,13b-tetrahydro-2H-9-ox...) Show SMILES CC(C)CNC(=S)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1ccc(Cl)cc21 Show InChI InChI=1S/C22H26ClN3OS/c1-14(2)13-24-22(28)25-17-7-5-11-26-18-12-15(23)9-10-20(18)27-19-8-4-3-6-16(19)21(17)26/h3-4,6,8-10,12,14,17,21H,5,7,11,13H2,1-2H3,(H2,24,25,28)/t17-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	314	n/a	n/a	n/a	n/a	n/a	n/a
N.V. Organon Curated by ChEMBL					Assay Description Inhibition of progesterone receptor expressed in CHO cells by luciferase assay				Bioorg Med Chem Lett 18: 1461-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.065 BindingDB Entry DOI: 10.7270/Q2BK1C3V
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50233020 (CHEMBL252451 | N-((1S,13bR)-6,7-dichloro-1,3,4,13b...) Show SMILES FC(F)(F)C(=O)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1cc(Cl)c(Cl)cc21 Show InChI InChI=1S/C19H15Cl2F3N2O2/c20-11-8-14-16(9-12(11)21)28-15-6-2-1-4-10(15)17-13(5-3-7-26(14)17)25-18(27)19(22,23)24/h1-2,4,6,8-9,13,17H,3,5,7H2,(H,25,27)/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	318	n/a	n/a	n/a	n/a	n/a	n/a
N.V. Organon Curated by ChEMBL					Assay Description Inhibition of progesterone receptor expressed in CHO cells by luciferase assay				Bioorg Med Chem Lett 18: 1461-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.065 BindingDB Entry DOI: 10.7270/Q2BK1C3V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES NC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
NV Organon Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against thrombin				Bioorg Med Chem Lett 9: 685-90 (1999) BindingDB Entry DOI: 10.7270/Q2KK9C89
					More data for this Ligand-Target Pair				3D Structure (crystal)
Progesterone receptor (Homo sapiens (Human))	BDBM50233022 (2,2,2-trifluoro-N-((1S,13bR)-6-fluoro-1,3,4,13b-te...) Show SMILES Fc1ccc2Oc3ccccc3[C@@H]3[C@H](CCCN3c2c1)NC(=O)C(F)(F)F Show InChI InChI=1S/C19H16F4N2O2/c20-11-7-8-16-14(10-11)25-9-3-5-13(24-18(26)19(21,22)23)17(25)12-4-1-2-6-15(12)27-16/h1-2,4,6-8,10,13,17H,3,5,9H2,(H,24,26)/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
N.V. Organon Curated by ChEMBL					Assay Description Inhibition of progesterone receptor expressed in CHO cells by luciferase assay				Bioorg Med Chem Lett 18: 1461-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.065 BindingDB Entry DOI: 10.7270/Q2BK1C3V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075824 (Aminoisoquinoline derivative | CHEMBL351865) Show SMILES Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)NNC(=O)NC(Cc1ccc2c(N)nccc2c1)C(=O)N1CCCCC1 Show InChI InChI=1S/C32H42N6O5S/c1-19-20(2)28(21(3)24-11-13-32(4,5)43-27(19)24)44(41,42)37-36-31(40)35-26(30(39)38-15-7-6-8-16-38)18-22-9-10-25-23(17-22)12-14-34-29(25)33/h9-10,12,14,17,26,37H,6-8,11,13,15-16,18H2,1-5H3,(H2,33,34)(H2,35,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
NV Organon Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against thrombin				Bioorg Med Chem Lett 9: 685-90 (1999) BindingDB Entry DOI: 10.7270/Q2KK9C89
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073323 (CHEMBL121608 | {(R)-1-Cyclohexylmethyl-2-[(S)-2-(3...) Show SMILES NC(=N)NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O Show InChI InChI=1S/C20H34N6O5/c21-20(22)25-16(27)8-9-23-18(30)15-7-4-10-26(15)19(31)14(24-12-17(28)29)11-13-5-2-1-3-6-13/h13-15,24H,1-12H2,(H,23,30)(H,28,29)(H4,21,22,25,27)/t14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
NV Organon Scientific Development Group Curated by ChEMBL					Assay Description Inhibition of thrombin (IIa)				Bioorg Med Chem Lett 8: 3603-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z5B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073316 (CHEMBL114715 | INOGATRAN | {(R)-1-Cyclohexylmethyl...) Show SMILES NC(=N)NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O Show InChI InChI=1S/C21H38N6O4/c22-21(23)25-11-6-10-24-19(30)17-9-4-5-12-27(17)20(31)16(26-14-18(28)29)13-15-7-2-1-3-8-15/h15-17,26H,1-14H2,(H,24,30)(H,28,29)(H4,22,23,25)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
NV Organon Scientific Development Group Curated by ChEMBL					Assay Description Inhibition of thrombin (IIa)				Bioorg Med Chem Lett 8: 3603-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z5B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50073313 (CHEMBL421057 | N-(3-Guanidino-3-oxo-propyl)-2-(6-m...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCCC(=O)NC(N)=N Show InChI InChI=1S/C19H24N6O5S/c1-13-7-8-15(24-31(29,30)12-14-5-3-2-4-6-14)18(28)25(13)11-17(27)22-10-9-16(26)23-19(20)21/h2-8,24H,9-12H2,1H3,(H,22,27)(H4,20,21,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
NV Organon Scientific Development Group Curated by ChEMBL					Assay Description Inhibition of thrombin (IIa)				Bioorg Med Chem Lett 8: 3603-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z5B
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50233015 (CHEMBL252646 | N-((1S,13bR)-7-chloro-1,3,4,13b-tet...) Show SMILES FC(F)(F)C(=O)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1cc(Cl)ccc21 Show InChI InChI=1S/C19H16ClF3N2O2/c20-11-7-8-14-16(10-11)27-15-6-2-1-4-12(15)17-13(5-3-9-25(14)17)24-18(26)19(21,22)23/h1-2,4,6-8,10,13,17H,3,5,9H2,(H,24,26)/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
N.V. Organon Curated by ChEMBL					Assay Description Inhibition of progesterone receptor expressed in CHO cells by luciferase assay				Bioorg Med Chem Lett 18: 1461-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.065 BindingDB Entry DOI: 10.7270/Q2BK1C3V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073319 ((S)-1-(9-Hydroxy-9H-fluorene-9-carbonyl)-pyrrolidi...) Show SMILES NC(=N)NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2ccccc2-c2ccccc12 Show InChI InChI=1S/C23H25N5O4/c24-22(25)27-19(29)11-12-26-20(30)18-10-5-13-28(18)21(31)23(32)16-8-3-1-6-14(16)15-7-2-4-9-17(15)23/h1-4,6-9,18,32H,5,10-13H2,(H,26,30)(H4,24,25,27,29)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
NV Organon Scientific Development Group Curated by ChEMBL					Assay Description Inhibition of thrombin (IIa)				Bioorg Med Chem Lett 8: 3603-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z5B
					More data for this Ligand-Target Pair

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