BDBM50047794 CHEMBL158196::N-[4-(3-Butyl-5-carboxymethylsulfanyl-[1,2,4]triazol-4-ylmethyl)-phenyl]-phthalamic acid

SMILES: CCCCc1nnc(SCC(O)=O)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1

InChI Key: InChIKey=ZRIBFKOEXSAQKT-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 = 50047794   

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)	BDBM50047794 (CHEMBL158196 | N-[4-(3-Butyl-5-carboxymethylsulfan...) Show SMILES CCCCc1nnc(SCC(O)=O)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C23H24N4O5S/c1-2-3-8-19-25-26-23(33-14-20(28)29)27(19)13-15-9-11-16(12-10-15)24-21(30)17-6-4-5-7-18(17)22(31)32/h4-7,9-12H,2-3,8,13-14H2,1H3,(H,24,30)(H,28,29)(H,31,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	770	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)	BDBM50047794 (CHEMBL158196 | N-[4-(3-Butyl-5-carboxymethylsulfan...) Show SMILES CCCCc1nnc(SCC(O)=O)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C23H24N4O5S/c1-2-3-8-19-25-26-23(33-14-20(28)29)27(19)13-15-9-11-16(12-10-15)24-21(30)17-6-4-5-7-18(17)22(31)32/h4-7,9-12H,2-3,8,13-14H2,1H3,(H,24,30)(H,28,29)(H,31,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	770	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