BDBM50044361 CHEMBL67764::{3-Butyl-5-oxo-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-4,5-dihydro-[1,2,4]triazol-1-yl}-acetic acid ethyl ester

SMILES: CCCCc1nn(CC(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

InChI Key: InChIKey=OAFUQLPTEOVNTI-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50044361   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Angiotensin II AT1B (RAT)	BDBM50044361 (CHEMBL67764 | {3-Butyl-5-oxo-4-[2'-(1H-tetrazol-5-...) Show SMILES CCCCc1nn(CC(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H27N7O3/c1-3-5-10-21-27-31(16-22(32)34-4-2)24(33)30(21)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-28-29-26-23/h6-9,11-14H,3-5,10,15-16H2,1-2H3,(H,25,26,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Searle R&D Curated by ChEMBL					Assay Description Inhibition of [125I]-angiotensin-II binding to the angiotensin II receptor type 1 in rat uterine membranes				J Med Chem 36: 2172-81 (1993) BindingDB Entry DOI: 10.7270/Q2C53JXM
					More data for this Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1 (RAT)	BDBM50044361 (CHEMBL67764 | {3-Butyl-5-oxo-4-[2'-(1H-tetrazol-5-...) Show SMILES CCCCc1nn(CC(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H27N7O3/c1-3-5-10-21-27-31(16-22(32)34-4-2)24(33)30(21)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-28-29-26-23/h6-9,11-14H,3-5,10,15-16H2,1-2H3,(H,25,26,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-angiotensin 2 from angiotensin AT1 receptor in Rattus norvegicus (rat) uterine membranes				Citation and Details Article DOI: 10.1007/s00044-011-9622-4 BindingDB Entry DOI: 10.7270/Q2T156HH
					More data for this Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1 (RAT)	BDBM50044361 (CHEMBL67764 | {3-Butyl-5-oxo-4-[2'-(1H-tetrazol-5-...) Show SMILES CCCCc1nn(CC(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H27N7O3/c1-3-5-10-21-27-31(16-22(32)34-4-2)24(33)30(21)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-28-29-26-23/h6-9,11-14H,3-5,10,15-16H2,1-2H3,(H,25,26,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-angiotensin 2 from angiotensin AT1 receptor in Rattus norvegicus (rat) uterine membranes				Citation and Details Article DOI: 10.1007/s00044-011-9622-4 BindingDB Entry DOI: 10.7270/Q2T156HH
					More data for this Ligand-Target Pair