Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50029195   

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 (RABBIT)	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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards Angiotensin II type 1-AT1 receptor determined as its ability to displace 125I-Sarl,Ile8-AII from th...				Bioorg Med Chem Lett 3: 1693-1696 (1993) Article DOI: 10.1016/S0960-894X(00)80044-X BindingDB Entry DOI: 10.7270/Q2CF9Q12
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50009719 (7-Methyl-2-propyl-3-[2'-(2H-tetrazol-5-yl)-bipheny...) Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H23N7/c1-3-6-21-26-22-16(2)13-14-25-24(22)31(21)15-17-9-11-18(12-10-17)19-7-4-5-8-20(19)23-27-29-30-28-23/h4-5,7-14H,3,6,15H2,1-2H3,(H,27,28,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards Angiotensin II type 1-AT1 receptor determined as its ability to displace 125I-Sarl,Ile8-AII from th...				Bioorg Med Chem Lett 3: 1693-1696 (1993) Article DOI: 10.1016/S0960-894X(00)80044-X BindingDB Entry DOI: 10.7270/Q2CF9Q12
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50145961 (7-Methyl-2-propyl-3-{4-[3-(2H-tetrazol-5-yl)-pyrid...) Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1ccncc1-c1nnn[nH]1 Show InChI InChI=1S/C23H22N8/c1-3-4-20-26-21-15(2)9-12-25-23(21)31(20)14-16-5-7-17(8-6-16)18-10-11-24-13-19(18)22-27-29-30-28-22/h5-13H,3-4,14H2,1-2H3,(H,27,28,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards Angiotensin II type 1-AT1 receptor determined as its ability to displace 125I-Sarl,Ile8-AII from th...				Bioorg Med Chem Lett 3: 1693-1696 (1993) Article DOI: 10.1016/S0960-894X(00)80044-X BindingDB Entry DOI: 10.7270/Q2CF9Q12
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50145974 (7-Methyl-2-propyl-3-{4-[2-(2H-tetrazol-5-yl)-pyrid...) Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1cccnc1-c1nnn[nH]1 Show InChI InChI=1S/C23H22N8/c1-3-5-19-26-20-15(2)11-13-25-23(20)31(19)14-16-7-9-17(10-8-16)18-6-4-12-24-21(18)22-27-29-30-28-22/h4,6-13H,3,5,14H2,1-2H3,(H,27,28,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards Angiotensin II type 1-AT1 receptor determined as its ability to displace 125I-Sarl,Ile8-AII from th...				Bioorg Med Chem Lett 3: 1693-1696 (1993) Article DOI: 10.1016/S0960-894X(00)80044-X BindingDB Entry DOI: 10.7270/Q2CF9Q12
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50145985 (7-Methyl-2-propyl-3-{4-[3-(2H-tetrazol-5-yl)-pyrid...) Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1ncccc1-c1nnn[nH]1 Show InChI InChI=1S/C23H22N8/c1-3-5-19-26-20-15(2)11-13-25-23(20)31(19)14-16-7-9-17(10-8-16)21-18(6-4-12-24-21)22-27-29-30-28-22/h4,6-13H,3,5,14H2,1-2H3,(H,27,28,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards Angiotensin II type 1-AT1 receptor determined as its ability to displace 125I-Sarl,Ile8-AII from th...				Bioorg Med Chem Lett 3: 1693-1696 (1993) Article DOI: 10.1016/S0960-894X(00)80044-X BindingDB Entry DOI: 10.7270/Q2CF9Q12
					More data for this Ligand-Target Pair