null

SMILES: CCCCc1nnc(SCc2cccc(c2)C(O)=O)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1

InChI Key: InChIKey=ZEWYRKQVLOPFOM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50047844   

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
Type-1 angiotensin II receptor (RABBIT)	BDBM50047844 (2-{4-[3-butyl-5-(3-carboxybenzylsulfanyl)-4H-1,2,4...) Show SMILES CCCCc1nnc(SCc2cccc(c2)C(O)=O)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C29H28N4O5S/c1-2-3-11-25-31-32-29(39-18-20-7-6-8-21(16-20)27(35)36)33(25)17-19-12-14-22(15-13-19)30-26(34)23-9-4-5-10-24(23)28(37)38/h4-10,12-16H,2-3,11,17-18H2,1H3,(H,30,34)(H,35,36)(H,37,38)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	15	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
Type-1 angiotensin II receptor (RABBIT)	BDBM50047844 (2-{4-[3-butyl-5-(3-carboxybenzylsulfanyl)-4H-1,2,4...) Show SMILES CCCCc1nnc(SCc2cccc(c2)C(O)=O)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C29H28N4O5S/c1-2-3-11-25-31-32-29(39-18-20-7-6-8-21(16-20)27(35)36)33(25)17-19-12-14-22(15-13-19)30-26(34)23-9-4-5-10-24(23)28(37)38/h4-10,12-16H,2-3,11,17-18H2,1H3,(H,30,34)(H,35,36)(H,37,38)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	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