Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50012863   

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))	BDBM50123490 (CHEMBL143418 | N-(6-Amino-2-methyl-pyridin-3-ylmet...) Show SMILES Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1ccc(N)nc1C Show InChI InChI=1S/C21H23F2N7O2/c1-13-9-27-19(28-12-21(22,23)16-5-3-4-8-25-16)20(32)30(13)11-18(31)26-10-15-6-7-17(24)29-14(15)2/h3-9H,10-12H2,1-2H3,(H2,24,29)(H,26,31)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123504 (CHEMBL142546 | N-((6-amino-2-methylpyridin-3-yl)me...) Show SMILES Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1ccc(N)nc1C Show InChI InChI=1S/C22H24F2N6O2/c1-14-10-27-20(28-13-22(23,24)17-6-4-3-5-7-17)21(32)30(14)12-19(31)26-11-16-8-9-18(25)29-15(16)2/h3-10H,11-13H2,1-2H3,(H2,25,29)(H,26,31)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123496 (CHEMBL143138 | N-(6-Amino-2-methyl-pyridin-3-ylmet...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O Show InChI InChI=1S/C21H25N7O2/c1-14-11-26-20(24-10-8-17-5-3-4-9-23-17)21(30)28(14)13-19(29)25-12-16-6-7-18(22)27-15(16)2/h3-7,9,11H,8,10,12-13H2,1-2H3,(H2,22,27)(H,24,26)(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123486 (2-[6-Cyano-3-(2,2-difluoro-2-pyridin-2-yl-ethylami...) Show SMILES Cc1ccnc(CNC(=O)Cn2c(cnc(NCC(F)(F)c3ccccn3)c2=O)C#N)c1F Show InChI InChI=1S/C21H18F3N7O2/c1-13-5-7-26-15(18(13)22)10-28-17(32)11-31-14(8-25)9-29-19(20(31)33)30-12-21(23,24)16-4-2-3-6-27-16/h2-7,9H,10-12H2,1H3,(H,28,32)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123479 (CHEMBL143008 | N-(6-Amino-2-methyl-pyridin-3-ylmet...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2cccnc2)c1=O Show InChI InChI=1S/C21H25N7O2/c1-14-10-26-20(24-9-7-16-4-3-8-23-11-16)21(30)28(14)13-19(29)25-12-17-5-6-18(22)27-15(17)2/h3-6,8,10-11H,7,9,12-13H2,1-2H3,(H2,22,27)(H,24,26)(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50067797 (CHEMBL19080 | L-37378 | N-(6-Amino-2-methyl-pyridi...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O Show InChI InChI=1S/C22H26N6O2/c1-15-12-26-21(24-11-10-17-6-4-3-5-7-17)22(30)28(15)14-20(29)25-13-18-8-9-19(23)27-16(18)2/h3-9,12H,10-11,13-14H2,1-2H3,(H2,23,27)(H,24,26)(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123497 (2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylam...) Show SMILES Cc1ccnc(CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3ccccn3)c2=O)c1F Show InChI InChI=1S/C20H18ClF3N6O2/c1-12-5-7-25-13(17(12)22)8-27-16(31)10-30-15(21)9-28-18(19(30)32)29-11-20(23,24)14-4-2-3-6-26-14/h2-7,9H,8,10-11H2,1H3,(H,27,31)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123503 (2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-me...) Show SMILES Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccn3)c2=O)c1F Show InChI InChI=1S/C21H21F3N6O2/c1-13-6-8-25-15(18(13)22)10-27-17(31)11-30-14(2)9-28-19(20(30)32)29-12-21(23,24)16-5-3-4-7-26-16/h3-9H,10-12H2,1-2H3,(H,27,31)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123500 (CHEMBL143139 | N-(6-Amino-2-methyl-pyridin-3-ylmet...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCC(C)(C)c2ccccc2)c1=O Show InChI InChI=1S/C24H30N6O2/c1-16-12-27-22(28-15-24(3,4)19-8-6-5-7-9-19)23(32)30(16)14-21(31)26-13-18-10-11-20(25)29-17(18)2/h5-12H,13-15H2,1-4H3,(H2,25,29)(H,26,31)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123493 (CHEMBL142566 | N-(6-Amino-2-methyl-pyridin-3-ylmet...) Show SMILES CC(CNc1ncc(C)n(CC(=O)NCc2ccc(N)nc2C)c1=O)c1ccccc1 Show InChI InChI=1S/C23H28N6O2/c1-15(18-7-5-4-6-8-18)11-26-22-23(31)29(16(2)12-27-22)14-21(30)25-13-19-9-10-20(24)28-17(19)3/h4-10,12,15H,11,13-14H2,1-3H3,(H2,24,28)(H,25,30)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123495 (2-[3-(2,2-Difluoro-2-phenyl-ethylamino)-6-methyl-2...) Show SMILES Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccc3)c2=O)c1F Show InChI InChI=1S/C22H22F3N5O2/c1-14-8-9-26-17(19(14)23)11-27-18(31)12-30-15(2)10-28-20(21(30)32)29-13-22(24,25)16-6-4-3-5-7-16/h3-10H,11-13H2,1-2H3,(H,27,31)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123478 (CHEMBL356296 | N-(4-Chloro-pyridin-2-ylmethyl)-2-[...) Show SMILES Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccn1 Show InChI InChI=1S/C21H20ClF2N5O2/c1-14-10-27-19(28-13-21(23,24)15-5-3-2-4-6-15)20(31)29(14)12-18(30)26-11-17-9-16(22)7-8-25-17/h2-10H,11-13H2,1H3,(H,26,30)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123505 (CHEMBL143421 | N-(6-Amino-2-methyl-pyridin-3-ylmet...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccncc2)c1=O Show InChI InChI=1S/C21H25N7O2/c1-14-11-26-20(24-10-7-16-5-8-23-9-6-16)21(30)28(14)13-19(29)25-12-17-3-4-18(22)27-15(17)2/h3-6,8-9,11H,7,10,12-13H2,1-2H3,(H2,22,27)(H,24,26)(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123481 (2-(6-cyano-3-(2,2-difluoro-2-(pyridin-2-yl)ethylam...) Show SMILES Fc1cccnc1CNC(=O)Cn1c(cnc(NCC(F)(F)c2ccccn2)c1=O)C#N Show InChI InChI=1S/C20H16F3N7O2/c21-14-4-3-7-25-15(14)10-27-17(31)11-30-13(8-24)9-28-18(19(30)32)29-12-20(22,23)16-5-1-2-6-26-16/h1-7,9H,10-12H2,(H,27,31)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123484 (2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-me...) Show SMILES Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccn3)c2=O)c1 Show InChI InChI=1S/C21H22F2N6O2/c1-14-6-8-24-16(9-14)11-26-18(30)12-29-15(2)10-27-19(20(29)31)28-13-21(22,23)17-5-3-4-7-25-17/h3-10H,11-13H2,1-2H3,(H,26,30)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123501 (2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylam...) Show SMILES COc1ccnc(CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3ccccn3)c2=O)c1 Show InChI InChI=1S/C20H19ClF2N6O3/c1-32-14-5-7-24-13(8-14)9-26-17(30)11-29-16(21)10-27-18(19(29)31)28-12-20(22,23)15-4-2-3-6-25-15/h2-8,10H,9,11-12H2,1H3,(H,26,30)(H,27,28)	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 Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123491 (2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]...) Show SMILES Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1ncccc1F Show InChI InChI=1S/C20H19F3N6O2/c1-13-9-27-18(28-12-20(22,23)16-6-2-3-7-25-16)19(31)29(13)11-17(30)26-10-15-14(21)5-4-8-24-15/h2-9H,10-12H2,1H3,(H,26,30)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50123498 (2-[3-(2,2-Difluoro-2-phenyl-ethylamino)-6-methyl-2...) Show SMILES Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccc3)c2=O)c1 Show InChI InChI=1S/C22H23F2N5O2/c1-15-8-9-25-18(10-15)12-26-19(30)13-29-16(2)11-27-20(21(29)31)28-14-22(23,24)17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,26,30)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123494 (2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylam...) Show SMILES Fc1cccnc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O Show InChI InChI=1S/C19H16ClF3N6O2/c20-15-9-27-17(28-11-19(22,23)14-5-1-2-6-25-14)18(31)29(15)10-16(30)26-8-13-12(21)4-3-7-24-13/h1-7,9H,8,10-11H2,(H,26,30)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123487 (2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylam...) Show SMILES Cc1ccnc(CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3ccccn3)c2=O)c1 Show InChI InChI=1S/C20H19ClF2N6O2/c1-13-5-7-24-14(8-13)9-26-17(30)11-29-16(21)10-27-18(19(29)31)28-12-20(22,23)15-4-2-3-6-25-15/h2-8,10H,9,11-12H2,1H3,(H,26,30)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123488 (2-[3-(2,2-Difluoro-2-phenyl-ethylamino)-6-methyl-2...) Show SMILES Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1ncccc1F Show InChI InChI=1S/C21H20F3N5O2/c1-14-10-27-19(28-13-21(23,24)15-6-3-2-4-7-15)20(31)29(14)12-18(30)26-11-17-16(22)8-5-9-25-17/h2-10H,11-13H2,1H3,(H,26,30)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123485 (2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylam...) Show SMILES FC(F)(CNc1ncc(Cl)n(CC(=O)NCc2ncccc2Cl)c1=O)c1ccccn1 Show InChI InChI=1S/C19H16Cl2F2N6O2/c20-12-4-3-7-24-13(12)8-26-16(30)10-29-15(21)9-27-17(18(29)31)28-11-19(22,23)14-5-1-2-6-25-14/h1-7,9H,8,10-11H2,(H,26,30)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123506 (2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylam...) Show SMILES COc1cccnc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O Show InChI InChI=1S/C20H19ClF2N6O3/c1-32-14-5-4-8-24-13(14)9-26-17(30)11-29-16(21)10-27-18(19(29)31)28-12-20(22,23)15-6-2-3-7-25-15/h2-8,10H,9,11-12H2,1H3,(H,26,30)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123502 (2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-me...) Show SMILES Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1ccccn1 Show InChI InChI=1S/C20H20F2N6O2/c1-14-10-26-18(27-13-20(21,22)16-7-3-5-9-24-16)19(30)28(14)12-17(29)25-11-15-6-2-4-8-23-15/h2-10H,11-13H2,1H3,(H,25,29)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123483 (2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-2-ox...) Show SMILES Fc1cccnc1CNC(=O)Cn1c(cnc(NCC(F)(F)c2ccccn2)c1=O)C(F)(F)F Show InChI InChI=1S/C20H16F6N6O2/c21-12-4-3-7-27-13(12)8-29-16(33)10-32-15(20(24,25)26)9-30-17(18(32)34)31-11-19(22,23)14-5-1-2-6-28-14/h1-7,9H,8,10-11H2,(H,29,33)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123492 (2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-2-ox...) Show SMILES Fc1cccnc1CNC(=O)Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O Show InChI InChI=1S/C19H17F3N6O2/c20-13-4-3-7-23-14(13)10-26-16(29)11-28-9-8-25-17(18(28)30)27-12-19(21,22)15-5-1-2-6-24-15/h1-9H,10-12H2,(H,25,27)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123482 (2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl...) Show SMILES Cc1ncccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O Show InChI InChI=1S/C22H25N5O2/c1-16-13-26-21(24-12-10-18-7-4-3-5-8-18)22(29)27(16)15-20(28)25-14-19-9-6-11-23-17(19)2/h3-9,11,13H,10,12,14-15H2,1-2H3,(H,24,26)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123489 (2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl...) Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccccn1 Show InChI InChI=1S/C21H23N5O2/c1-16-13-25-20(23-12-10-17-7-3-2-4-8-17)21(28)26(16)15-19(27)24-14-18-9-5-6-11-22-18/h2-9,11,13H,10,12,14-15H2,1H3,(H,23,25)(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50123490 (CHEMBL143418 | N-(6-Amino-2-methyl-pyridin-3-ylmet...) Show SMILES Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1ccc(N)nc1C Show InChI InChI=1S/C21H23F2N7O2/c1-13-9-27-19(28-12-21(22,23)16-5-3-4-8-25-16)20(32)30(13)11-18(31)26-10-15-6-7-17(24)29-14(15)2/h3-9H,10-12H2,1-2H3,(H2,24,29)(H,26,31)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50123500 (CHEMBL143139 | N-(6-Amino-2-methyl-pyridin-3-ylmet...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCC(C)(C)c2ccccc2)c1=O Show InChI InChI=1S/C24H30N6O2/c1-16-12-27-22(28-15-24(3,4)19-8-6-5-7-9-19)23(32)30(16)14-21(31)26-13-18-10-11-20(25)29-17(18)2/h5-12H,13-15H2,1-4H3,(H2,25,29)(H,26,31)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50123504 (CHEMBL142546 | N-((6-amino-2-methylpyridin-3-yl)me...) Show SMILES Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1ccc(N)nc1C Show InChI InChI=1S/C22H24F2N6O2/c1-14-10-27-20(28-13-22(23,24)17-6-4-3-5-7-17)21(32)30(14)12-19(31)26-11-16-8-9-18(25)29-15(16)2/h3-10H,11-13H2,1-2H3,(H2,25,29)(H,26,31)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	855	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123480 (2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl...) Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cccnc1 Show InChI InChI=1S/C21H23N5O2/c1-16-12-25-20(23-11-9-17-6-3-2-4-7-17)21(28)26(16)15-19(27)24-14-18-8-5-10-22-13-18/h2-8,10,12-13H,9,11,14-15H2,1H3,(H,23,25)(H,24,27)	PDB UniProtKB/SwissProt antibodypedia 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 Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50123493 (CHEMBL142566 | N-(6-Amino-2-methyl-pyridin-3-ylmet...) Show SMILES CC(CNc1ncc(C)n(CC(=O)NCc2ccc(N)nc2C)c1=O)c1ccccc1 Show InChI InChI=1S/C23H28N6O2/c1-15(18-7-5-4-6-8-18)11-26-22-23(31)29(16(2)12-27-22)14-21(30)25-13-19-9-10-20(24)28-17(19)3/h4-10,12,15H,11,13-14H2,1-3H3,(H2,24,28)(H,25,30)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+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 Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50067797 (CHEMBL19080 | L-37378 | N-(6-Amino-2-methyl-pyridi...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O Show InChI InChI=1S/C22H26N6O2/c1-15-12-26-21(24-11-10-17-6-4-3-5-7-17)22(30)28(15)14-20(29)25-13-18-8-9-19(23)27-16(18)2/h3-9,12H,10-11,13-14H2,1-2H3,(H2,23,27)(H,24,26)(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+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 Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50123496 (CHEMBL143138 | N-(6-Amino-2-methyl-pyridin-3-ylmet...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O Show InChI InChI=1S/C21H25N7O2/c1-14-11-26-20(24-10-8-17-5-3-4-9-23-17)21(30)28(14)13-19(29)25-12-16-6-7-18(22)27-15(16)2/h3-7,9,11H,8,10,12-13H2,1-2H3,(H2,22,27)(H,24,26)(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+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 Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50123479 (CHEMBL143008 | N-(6-Amino-2-methyl-pyridin-3-ylmet...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2cccnc2)c1=O Show InChI InChI=1S/C21H25N7O2/c1-14-10-26-20(24-9-7-16-4-3-8-23-11-16)21(30)28(14)13-19(29)25-12-17-5-6-18(22)27-15(17)2/h3-6,8,10-11H,7,9,12-13H2,1-2H3,(H2,22,27)(H,24,26)(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80E+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 Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50123505 (CHEMBL143421 | N-(6-Amino-2-methyl-pyridin-3-ylmet...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccncc2)c1=O Show InChI InChI=1S/C21H25N7O2/c1-14-11-26-20(24-10-7-16-5-8-23-9-6-16)21(30)28(14)13-19(29)25-12-17-3-4-18(22)27-15(17)2/h3-6,8-9,11H,7,10,12-13H2,1-2H3,(H2,22,27)(H,24,26)(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+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 Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123499 (2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl...) Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccncc1 Show InChI InChI=1S/C21H23N5O2/c1-16-13-25-20(23-12-9-17-5-3-2-4-6-17)21(28)26(16)15-19(27)24-14-18-7-10-22-11-8-18/h2-8,10-11,13H,9,12,14-15H2,1H3,(H,23,25)(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+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 Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50123495 (2-[3-(2,2-Difluoro-2-phenyl-ethylamino)-6-methyl-2...) Show SMILES Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccc3)c2=O)c1F Show InChI InChI=1S/C22H22F3N5O2/c1-14-8-9-26-17(19(14)23)11-27-18(31)12-30-15(2)10-28-20(21(30)32)29-13-22(24,25)16-6-4-3-5-7-16/h3-10H,11-13H2,1-2H3,(H,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+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 Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50123478 (CHEMBL356296 | N-(4-Chloro-pyridin-2-ylmethyl)-2-[...) Show SMILES Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccn1 Show InChI InChI=1S/C21H20ClF2N5O2/c1-14-10-27-19(28-13-21(23,24)15-5-3-2-4-6-15)20(31)29(14)12-18(30)26-11-17-9-16(22)7-8-25-17/h2-10H,11-13H2,1H3,(H,26,30)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70E+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 Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50123486 (2-[6-Cyano-3-(2,2-difluoro-2-pyridin-2-yl-ethylami...) Show SMILES Cc1ccnc(CNC(=O)Cn2c(cnc(NCC(F)(F)c3ccccn3)c2=O)C#N)c1F Show InChI InChI=1S/C21H18F3N7O2/c1-13-5-7-26-15(18(13)22)10-28-17(32)11-31-14(8-25)9-29-19(20(31)33)30-12-21(23,24)16-4-2-3-6-27-16/h2-7,9H,10-12H2,1H3,(H,28,32)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.10E+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 Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50123497 (2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylam...) Show SMILES Cc1ccnc(CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3ccccn3)c2=O)c1F Show InChI InChI=1S/C20H18ClF3N6O2/c1-12-5-7-25-13(17(12)22)8-27-16(31)10-30-15(21)9-28-18(19(30)32)29-11-20(23,24)14-4-2-3-6-26-14/h2-7,9H,8,10-11H2,1H3,(H,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.00E+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 Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50123482 (2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl...) Show SMILES Cc1ncccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O Show InChI InChI=1S/C22H25N5O2/c1-16-13-26-21(24-12-10-18-7-4-3-5-8-18)22(29)27(16)15-20(28)25-14-19-9-6-11-23-17(19)2/h3-9,11,13H,10,12,14-15H2,1-2H3,(H,24,26)(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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 Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50123503 (2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-me...) Show SMILES Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccn3)c2=O)c1F Show InChI InChI=1S/C21H21F3N6O2/c1-13-6-8-25-15(18(13)22)10-27-17(31)11-30-14(2)9-28-19(20(30)32)29-12-21(23,24)16-5-3-4-7-26-16/h3-9H,10-12H2,1-2H3,(H,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	1.18E+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 Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50123483 (2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-2-ox...) Show SMILES Fc1cccnc1CNC(=O)Cn1c(cnc(NCC(F)(F)c2ccccn2)c1=O)C(F)(F)F Show InChI InChI=1S/C20H16F6N6O2/c21-12-4-3-7-27-13(12)8-29-16(33)10-32-15(20(24,25)26)9-30-17(18(32)34)31-11-19(22,23)14-5-1-2-6-28-14/h1-7,9H,8,10-11H2,(H,29,33)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.36E+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 Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50123494 (2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylam...) Show SMILES Fc1cccnc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O Show InChI InChI=1S/C19H16ClF3N6O2/c20-15-9-27-17(28-11-19(22,23)14-5-1-2-6-25-14)18(31)29(15)10-16(30)26-8-13-12(21)4-3-7-24-13/h1-7,9H,8,10-11H2,(H,26,30)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.02E+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 Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50123481 (2-(6-cyano-3-(2,2-difluoro-2-(pyridin-2-yl)ethylam...) Show SMILES Fc1cccnc1CNC(=O)Cn1c(cnc(NCC(F)(F)c2ccccn2)c1=O)C#N Show InChI InChI=1S/C20H16F3N7O2/c21-14-4-3-7-25-15(14)10-27-17(31)11-30-13(8-24)9-28-18(19(30)32)29-12-20(22,23)16-5-1-2-6-26-16/h1-7,9H,10-12H2,(H,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.13E+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 Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50123499 (2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl...) Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccncc1 Show InChI InChI=1S/C21H23N5O2/c1-16-13-25-20(23-12-9-17-5-3-2-4-6-17)21(28)26(16)15-19(27)24-14-18-7-10-22-11-8-18/h2-8,10-11,13H,9,12,14-15H2,1H3,(H,23,25)(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51E+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 Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50123491 (2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]...) Show SMILES Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1ncccc1F Show InChI InChI=1S/C20H19F3N6O2/c1-13-9-27-18(28-12-20(22,23)16-6-2-3-7-25-16)19(31)29(13)11-17(30)26-10-15-14(21)5-4-8-24-15/h2-9H,10-12H2,1H3,(H,26,30)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.52E+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 Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50123498 (2-[3-(2,2-Difluoro-2-phenyl-ethylamino)-6-methyl-2...) Show SMILES Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccc3)c2=O)c1 Show InChI InChI=1S/C22H23F2N5O2/c1-15-8-9-25-18(10-15)12-26-19(30)13-29-16(2)11-27-20(21(29)31)28-14-22(23,24)17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,26,30)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+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 Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair

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