BDBM50230787 CHEMBL54421

SMILES: CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(C(O)=O)c(c1)-c1ccccc1

InChI Key: InChIKey=MAPIDJXMOLIQSI-CJLVFECKSA-N

Data: 1 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 1 hit for monomerid = 50230787   

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 receptor (RAT)	BDBM50230787 (CHEMBL54421) Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(C(O)=O)c(c1)-c1ccccc1 Show InChI InChI=1S/C29H28N2O4S/c1-2-3-11-27-30-18-23(16-22(28(32)33)17-24-10-7-14-36-24)31(27)19-20-12-13-25(29(34)35)26(15-20)21-8-5-4-6-9-21/h4-10,12-16,18H,2-3,11,17,19H2,1H3,(H,32,33)(H,34,35)/b22-16+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]AII binding to Angiotensin II receptor, type 1 of rat mesenteric arteries				J Med Chem 36: 1880-92 (1993) BindingDB Entry DOI: 10.7270/Q2PK0JC7
					More data for this Ligand-Target Pair