Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 9 entry = 50032870   

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-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50044739 (3-Butyl-2-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yloxy]...) Show SMILES CCCCc1nc2ccccc2[n+]([O-])c1Oc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C25H22N6O2/c1-2-3-10-22-25(31(32)23-12-7-6-11-21(23)26-22)33-18-15-13-17(14-16-18)19-8-4-5-9-20(19)24-27-29-30-28-24/h4-9,11-16H,2-3,10H2,1H3,(H,27,28,29,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Binding affinity to angiotensin AT2 receptor				Bioorg Med Chem 18: 8418-56 (2010) Article DOI: 10.1016/j.bmc.2010.10.043 BindingDB Entry DOI: 10.7270/Q2H70G3T
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50335923 (1-(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)-2,2-difluor...) Show SMILES CCCc1nc2ccccc2n1C(F)(F)C(O)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C25H22F2N6O/c1-2-7-22-28-20-10-5-6-11-21(20)33(22)25(26,27)23(34)17-14-12-16(13-15-17)18-8-3-4-9-19(18)24-29-31-32-30-24/h3-6,8-15,23,34H,2,7H2,1H3,(H,29,30,31,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Binding affinity to angiotensin AT2 receptor				Bioorg Med Chem 18: 8418-56 (2010) Article DOI: 10.1016/j.bmc.2010.10.043 BindingDB Entry DOI: 10.7270/Q2H70G3T
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50009718 (2-Ethyl-5,7-dimethyl-3-[2'-(1H-tetrazol-5-yl)-biph...) Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H23N7/c1-4-21-26-22-15(2)13-16(3)25-24(22)31(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)23-27-29-30-28-23/h5-13H,4,14H2,1-3H3,(H,27,28,29,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Binding affinity to angiotensin AT2 receptor				Bioorg Med Chem 18: 8418-56 (2010) Article DOI: 10.1016/j.bmc.2010.10.043 BindingDB Entry DOI: 10.7270/Q2H70G3T
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50281848 (2-Ethyl-5,7-dimethyl-3-{4-[2-(2H-tetrazol-5-yl)-5H...) Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccsc1-c1nnn[nH]1 Show InChI InChI=1S/C22H21N7S/c1-4-18-24-19-13(2)11-14(3)23-22(19)29(18)12-15-5-7-16(8-6-15)17-9-10-30-20(17)21-25-27-28-26-21/h5-11H,4,12H2,1-3H3,(H,25,26,27,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Binding affinity to angiotensin AT2 receptor				Bioorg Med Chem 18: 8418-56 (2010) Article DOI: 10.1016/j.bmc.2010.10.043 BindingDB Entry DOI: 10.7270/Q2H70G3T
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50335924 (CHEMBL1668007 | benzyl 4'-((2-butyl-4-oxo-5-(2-oxo...) Show SMILES CCCCc1nc2ccn(CC(=O)N3CCCCC3)c(=O)c2n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C38H40FN5O6S/c1-2-3-16-34-40-32-19-22-43(25-35(45)42-20-10-5-11-21-42)37(46)36(32)44(34)24-29-18-17-28(23-31(29)39)30-14-8-9-15-33(30)51(48,49)41-38(47)50-26-27-12-6-4-7-13-27/h4,6-9,12-15,17-19,22-23H,2-3,5,10-11,16,20-21,24-26H2,1H3,(H,41,47)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Binding affinity to angiotensin AT2 receptor				Bioorg Med Chem 18: 8418-56 (2010) Article DOI: 10.1016/j.bmc.2010.10.043 BindingDB Entry DOI: 10.7270/Q2H70G3T
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50335925 (5-(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)-3-butyl-1-c...) Show SMILES CCCCc1nc(Cl)c2C=C(CC(c3ccc(cc3)-c3ccccc3-c3nnn[nH]3)n12)C(O)=O |c:9| Show InChI InChI=1S/C25H23ClN6O2/c1-2-3-8-22-27-23(26)21-14-17(25(33)34)13-20(32(21)22)16-11-9-15(10-12-16)18-6-4-5-7-19(18)24-28-30-31-29-24/h4-7,9-12,14,20H,2-3,8,13H2,1H3,(H,33,34)(H,28,29,30,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Binding affinity to angiotensin AT2 receptor				Bioorg Med Chem 18: 8418-56 (2010) Article DOI: 10.1016/j.bmc.2010.10.043 BindingDB Entry DOI: 10.7270/Q2H70G3T
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50335926 (5-(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)-3-butyl-1-c...) Show SMILES CCCCc1nc(Cl)c2C(=CCC(c3ccc(cc3)-c3ccccc3-c3nnn[nH]3)n12)C(O)=O |c:9| Show InChI InChI=1S/C25H23ClN6O2/c1-2-3-8-21-27-23(26)22-19(25(33)34)13-14-20(32(21)22)16-11-9-15(10-12-16)17-6-4-5-7-18(17)24-28-30-31-29-24/h4-7,9-13,20H,2-3,8,14H2,1H3,(H,33,34)(H,28,29,30,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Binding affinity to angiotensin AT2 receptor				Bioorg Med Chem 18: 8418-56 (2010) Article DOI: 10.1016/j.bmc.2010.10.043 BindingDB Entry DOI: 10.7270/Q2H70G3T
					More data for this Ligand-Target Pair