Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50009058   

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
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50079754 (CHEMBL65476 | N*3*-Cyclopropyl-7-(4-isopropyl-benz...) Show SMILES CC(C)c1ccc(Cn2ccc3c2ccc2nc(nc(N)c32)N(C)C2CC2)cc1 Show InChI InChI=1S/C24H27N5/c1-15(2)17-6-4-16(5-7-17)14-29-13-12-19-21(29)11-10-20-22(19)23(25)27-24(26-20)28(3)18-8-9-18/h4-7,10-13,15,18H,8-9,14H2,1-3H3,(H2,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against binding to Thrombin receptor 1 (PAR-1)				Bioorg Med Chem Lett 9: 2073-8 (1999) BindingDB Entry DOI: 10.7270/Q25X284B
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50079751 (CHEMBL63426 | N*3*-Cyclopropyl-7-(4-isopropyl-benz...) Show SMILES CC(C)c1ccc(Cn2ccc3c2ccc2nc(NC4CC4)nc(N)c32)cc1 Show InChI InChI=1S/C23H25N5/c1-14(2)16-5-3-15(4-6-16)13-28-12-11-18-20(28)10-9-19-21(18)22(24)27-23(26-19)25-17-7-8-17/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H3,24,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against binding to Thrombin receptor 1 (PAR-1)				Bioorg Med Chem Lett 9: 2073-8 (1999) BindingDB Entry DOI: 10.7270/Q25X284B
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50079757 (7-(4-Isopropyl-benzyl)-N*3*,N*3*-dimethyl-7H-pyrro...) Show SMILES CC(C)c1ccc(Cn2ccc3c2ccc2nc(nc(N)c32)N(C)C)cc1 Show InChI InChI=1S/C22H25N5/c1-14(2)16-7-5-15(6-8-16)13-27-12-11-17-19(27)10-9-18-20(17)21(23)25-22(24-18)26(3)4/h5-12,14H,13H2,1-4H3,(H2,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against binding to Thrombin receptor 1 (PAR-1)				Bioorg Med Chem Lett 9: 2073-8 (1999) BindingDB Entry DOI: 10.7270/Q25X284B
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50079755 (7-(4-Isopropyl-benzyl)-3-piperidin-1-yl-7H-pyrrolo...) Show SMILES CC(C)c1ccc(Cn2ccc3c2ccc2nc(nc(N)c32)N2CCCCC2)cc1 Show InChI InChI=1S/C25H29N5/c1-17(2)19-8-6-18(7-9-19)16-30-15-12-20-22(30)11-10-21-23(20)24(26)28-25(27-21)29-13-4-3-5-14-29/h6-12,15,17H,3-5,13-14,16H2,1-2H3,(H2,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against binding to Thrombin receptor 1 (PAR-1)				Bioorg Med Chem Lett 9: 2073-8 (1999) BindingDB Entry DOI: 10.7270/Q25X284B
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50079756 (7-(4-Isopropyl-benzyl)-7H-pyrrolo[3,2-f]quinazolin...) Show SMILES CC(C)c1ccc(Cn2ccc3c2ccc2nc(N)nc(N)c32)cc1 Show InChI InChI=1S/C20H21N5/c1-12(2)14-5-3-13(4-6-14)11-25-10-9-15-17(25)8-7-16-18(15)19(21)24-20(22)23-16/h3-10,12H,11H2,1-2H3,(H4,21,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against binding to Thrombin receptor 1 (PAR-1)				Bioorg Med Chem Lett 9: 2073-8 (1999) BindingDB Entry DOI: 10.7270/Q25X284B
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50079759 (CHEMBL305557 | N*3*-Ethyl-7-(4-isopropyl-benzyl)-7...) Show SMILES CCNc1nc(N)c2c3ccn(Cc4ccc(cc4)C(C)C)c3ccc2n1 Show InChI InChI=1S/C22H25N5/c1-4-24-22-25-18-9-10-19-17(20(18)21(23)26-22)11-12-27(19)13-15-5-7-16(8-6-15)14(2)3/h5-12,14H,4,13H2,1-3H3,(H3,23,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	524	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against binding to Thrombin receptor 1 (PAR-1)				Bioorg Med Chem Lett 9: 2073-8 (1999) BindingDB Entry DOI: 10.7270/Q25X284B
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50079753 (7-(4-Isopropyl-benzyl)-N*3*-methyl-7H-pyrrolo[3,2-...) Show SMILES CNc1nc(N)c2c3ccn(Cc4ccc(cc4)C(C)C)c3ccc2n1 Show InChI InChI=1S/C21H23N5/c1-13(2)15-6-4-14(5-7-15)12-26-11-10-16-18(26)9-8-17-19(16)20(22)25-21(23-3)24-17/h4-11,13H,12H2,1-3H3,(H3,22,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against binding to Thrombin receptor 1 (PAR-1)				Bioorg Med Chem Lett 9: 2073-8 (1999) BindingDB Entry DOI: 10.7270/Q25X284B
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50079749 (7-(4-tert-Butyl-benzyl)-7H-pyrrolo[3,2-f]quinazoli...) Show SMILES CC(C)(C)c1ccc(Cn2ccc3c2ccc2nc(N)nc(N)c32)cc1 Show InChI InChI=1S/C21H23N5/c1-21(2,3)14-6-4-13(5-7-14)12-26-11-10-15-17(26)9-8-16-18(15)19(22)25-20(23)24-16/h4-11H,12H2,1-3H3,(H4,22,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against binding to Thrombin receptor 1 (PAR-1)				Bioorg Med Chem Lett 9: 2073-8 (1999) BindingDB Entry DOI: 10.7270/Q25X284B
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50079764 (7-(4-Isopropyl-benzyl)-N*1*,N*1*,N*3*,N*3*-tetrame...) Show SMILES CC(C)c1ccc(Cn2ccc3c2ccc2nc(nc(N(C)C)c32)N(C)C)cc1 Show InChI InChI=1S/C24H29N5/c1-16(2)18-9-7-17(8-10-18)15-29-14-13-19-21(29)12-11-20-22(19)23(27(3)4)26-24(25-20)28(5)6/h7-14,16H,15H2,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against binding to Thrombin receptor 1 (PAR-1)				Bioorg Med Chem Lett 9: 2073-8 (1999) BindingDB Entry DOI: 10.7270/Q25X284B
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50079758 (7-(6-Methyl-naphthalen-2-ylmethyl)-7H-pyrrolo[3,2-...) Show SMILES Cc1ccc2cc(Cn3ccc4c3ccc3nc(N)nc(N)c43)ccc2c1 Show InChI InChI=1S/C22H19N5/c1-13-2-4-16-11-14(3-5-15(16)10-13)12-27-9-8-17-19(27)7-6-18-20(17)21(23)26-22(24)25-18/h2-11H,12H2,1H3,(H4,23,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against binding to Thrombin receptor 1 (PAR-1)				Bioorg Med Chem Lett 9: 2073-8 (1999) BindingDB Entry DOI: 10.7270/Q25X284B
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50079762 (7-(4-Ethoxy-benzyl)-7H-pyrrolo[3,2-f]quinazoline-1...) Show SMILES CCOc1ccc(Cn2ccc3c2ccc2nc(N)nc(N)c32)cc1 Show InChI InChI=1S/C19H19N5O/c1-2-25-13-5-3-12(4-6-13)11-24-10-9-14-16(24)8-7-15-17(14)18(20)23-19(21)22-15/h3-10H,2,11H2,1H3,(H4,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against binding to Thrombin receptor 1 (PAR-1)				Bioorg Med Chem Lett 9: 2073-8 (1999) BindingDB Entry DOI: 10.7270/Q25X284B
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50079763 (7-(4-Isopropyl-benzyl)-N*1*,N*3*,N*3*-trimethyl-7H...) Show SMILES CNc1nc(nc2ccc3n(Cc4ccc(cc4)C(C)C)ccc3c12)N(C)C Show InChI InChI=1S/C23H27N5/c1-15(2)17-8-6-16(7-9-17)14-28-13-12-18-20(28)11-10-19-21(18)22(24-3)26-23(25-19)27(4)5/h6-13,15H,14H2,1-5H3,(H,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against binding to Thrombin receptor 1 (PAR-1)				Bioorg Med Chem Lett 9: 2073-8 (1999) BindingDB Entry DOI: 10.7270/Q25X284B
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50079752 (7-(4-Ethyl-benzyl)-7H-pyrrolo[3,2-f]quinazoline-1,...) Show SMILES CCc1ccc(Cn2ccc3c2ccc2nc(N)nc(N)c32)cc1 Show InChI InChI=1S/C19H19N5/c1-2-12-3-5-13(6-4-12)11-24-10-9-14-16(24)8-7-15-17(14)18(20)23-19(21)22-15/h3-10H,2,11H2,1H3,(H4,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against binding to Thrombin receptor 1 (PAR-1)				Bioorg Med Chem Lett 9: 2073-8 (1999) BindingDB Entry DOI: 10.7270/Q25X284B
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50079761 (2-[1-Amino-7-(4-isopropyl-benzyl)-7H-pyrrolo[3,2-f...) Show SMILES CC(C)c1ccc(Cn2ccc3c2ccc2nc(NCCO)nc(N)c32)cc1 Show InChI InChI=1S/C22H25N5O/c1-14(2)16-5-3-15(4-6-16)13-27-11-9-17-19(27)8-7-18-20(17)21(23)26-22(25-18)24-10-12-28/h3-9,11,14,28H,10,12-13H2,1-2H3,(H3,23,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against binding to Thrombin receptor 1 (PAR-1)				Bioorg Med Chem Lett 9: 2073-8 (1999) BindingDB Entry DOI: 10.7270/Q25X284B
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50079760 (7-(4-Methylsulfanyl-benzyl)-7H-pyrrolo[3,2-f]quina...) Show SMILES CSc1ccc(Cn2ccc3c2ccc2nc(N)nc(N)c32)cc1 Show InChI InChI=1S/C18H17N5S/c1-24-12-4-2-11(3-5-12)10-23-9-8-13-15(23)7-6-14-16(13)17(19)22-18(20)21-14/h2-9H,10H2,1H3,(H4,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against binding to Thrombin receptor 1 (PAR-1)				Bioorg Med Chem Lett 9: 2073-8 (1999) BindingDB Entry DOI: 10.7270/Q25X284B
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50079750 (7-(4-Vinyl-benzyl)-7H-pyrrolo[3,2-f]quinazoline-1,...) Show SMILES Nc1nc(N)c2c3ccn(Cc4ccc(C=C)cc4)c3ccc2n1 Show InChI InChI=1S/C19H17N5/c1-2-12-3-5-13(6-4-12)11-24-10-9-14-16(24)8-7-15-17(14)18(20)23-19(21)22-15/h2-10H,1,11H2,(H4,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against binding to Thrombin receptor 1 (PAR-1)				Bioorg Med Chem Lett 9: 2073-8 (1999) BindingDB Entry DOI: 10.7270/Q25X284B
					More data for this Ligand-Target Pair