BDBM50047875 CHEMBL347135::N-{4-[3-Butyl-5-(4-chloro-benzylsulfanyl)-[1,2,4]triazol-4-ylmethyl]-phenyl}-phthalamic acid

SMILES: CCCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1

InChI Key: InChIKey=IRLNKXAOESAHHJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50047875   

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 type 1a (AT-1a) receptor (RABBIT)	BDBM50047875 (CHEMBL347135 | N-{4-[3-Butyl-5-(4-chloro-benzylsul...) Show SMILES CCCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C28H27ClN4O3S/c1-2-3-8-25-31-32-28(37-18-20-9-13-21(29)14-10-20)33(25)17-19-11-15-22(16-12-19)30-26(34)23-6-4-5-7-24(23)27(35)36/h4-7,9-16H,2-3,8,17-18H2,1H3,(H,30,34)(H,35,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at AT1 receptor in Oryctolagus cuniculus (rabbit) aorta				Citation and Details Article DOI: 10.1007/s00044-011-9756-4 BindingDB Entry DOI: 10.7270/Q2833VXQ
					More data for this Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50047875 (CHEMBL347135 | N-{4-[3-Butyl-5-(4-chloro-benzylsul...) Show SMILES CCCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C28H27ClN4O3S/c1-2-3-8-25-31-32-28(37-18-20-9-13-21(29)14-10-20)33(25)17-19-11-15-22(16-12-19)30-26(34)23-6-4-5-7-24(23)27(35)36/h4-7,9-16H,2-3,8,17-18H2,1H3,(H,30,34)(H,35,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1				J Med Chem 36: 591-609 (1993) BindingDB Entry DOI: 10.7270/Q2P55MKH
					More data for this Ligand-Target Pair