Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50009363   

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
Type-1 angiotensin II receptor A (RAT)	BDBM50082568 (2-({3-[4-(2-Azido-benzenesulfonylaminocarbonyl)-be...) Show SMILES CCCCc1ncc(CNc2ccccc2C(O)=O)n1Cc1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1N=[N+]=[N-] Show InChI InChI=1S/C29H29N7O5S/c1-2-3-12-27-32-18-22(17-31-24-9-5-4-8-23(24)29(38)39)36(27)19-20-13-15-21(16-14-20)28(37)34-42(40,41)26-11-7-6-10-25(26)33-35-30/h4-11,13-16,18,31H,2-3,12,17,19H2,1H3,(H,34,37)(H,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier S.A. Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [125I]-Sar-AII binding to Angiotensin II receptor, type 1 from purified rat liver membranes.				J Med Chem 42: 4572-83 (1999) BindingDB Entry DOI: 10.7270/Q2XW4J1J
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50082567 (2-({2-Butyl-3-[4-(2-chloro-benzenesulfonylaminocar...) Show SMILES CCCCc1ncc(CNc2ccccc2C(O)=O)n1Cc1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1Cl Show InChI InChI=1S/C29H29ClN4O5S/c1-2-3-12-27-32-18-22(17-31-25-10-6-4-8-23(25)29(36)37)34(27)19-20-13-15-21(16-14-20)28(35)33-40(38,39)26-11-7-5-9-24(26)30/h4-11,13-16,18,31H,2-3,12,17,19H2,1H3,(H,33,35)(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier S.A. Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [125I]-Sar-AII binding to Angiotensin II receptor, type 1 from purified rat liver membranes.				J Med Chem 42: 4572-83 (1999) BindingDB Entry DOI: 10.7270/Q2XW4J1J
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50082570 (2-[2-butyl-1-(4-carboxybenzyl)-1H-5-imidazolylmeth...) Show SMILES CCCCc1ncc(CNc2ccccc2C(O)=O)n1Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H25N3O4/c1-2-3-8-21-25-14-18(13-24-20-7-5-4-6-19(20)23(29)30)26(21)15-16-9-11-17(12-10-16)22(27)28/h4-7,9-12,14,24H,2-3,8,13,15H2,1H3,(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier S.A. Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [125I]-Sar-AII binding to Angiotensin II receptor, type 1 from purified rat liver membranes.				J Med Chem 42: 4572-83 (1999) BindingDB Entry DOI: 10.7270/Q2XW4J1J
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50082569 (4-Azido-2-{[2-butyl-3-(4-carboxy-benzyl)-3H-imidaz...) Show SMILES CCCCc1ncc(CNc2cc(ccc2C(O)=O)N=[N+]=[N-])n1Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H24N6O4/c1-2-3-4-21-26-13-18(29(21)14-15-5-7-16(8-6-15)22(30)31)12-25-20-11-17(27-28-24)9-10-19(20)23(32)33/h5-11,13,25H,2-4,12,14H2,1H3,(H,30,31)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier S.A. Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [125I]-Sar-AII binding to Angiotensin II receptor, type 1 from purified rat liver membranes.				J Med Chem 42: 4572-83 (1999) BindingDB Entry DOI: 10.7270/Q2XW4J1J
					More data for this Ligand-Target Pair