BDBM50039348 2-[4-(5-Methyl-3-oxo-7-propyl-2,3-dihydro-[1,2,4]triazolo[4,3-c]pyrimidin-8-ylmethyl)-phenylcarbamoyl]-benzenesulfonic acid::CHEMBL80167

SMILES: CCCc1nc(C)n2c(n[nH]c2=O)c1Cc1ccc(NC(=O)c2ccccc2S(O)(=O)=O)cc1

InChI Key: InChIKey=OFHJUAWNPCMIJA-UHFFFAOYSA-N

Data: 1 KI

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 = 50039348   

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)	BDBM50039348 (2-[4-(5-Methyl-3-oxo-7-propyl-2,3-dihydro-[1,2,4]t...) Show SMILES CCCc1nc(C)n2c(n[nH]c2=O)c1Cc1ccc(NC(=O)c2ccccc2S(O)(=O)=O)cc1 Show InChI InChI=1S/C23H23N5O5S/c1-3-6-19-18(21-26-27-23(30)28(21)14(2)24-19)13-15-9-11-16(12-10-15)25-22(29)17-7-4-5-8-20(17)34(31,32)33/h4-5,7-12H,3,6,13H2,1-2H3,(H,25,29)(H,27,30)(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carpibem Curated by ChEMBL					Assay Description Displacement of [125I]-Sar1-Ile8-A II from rat adrenal Angiotensin-1 (AT-1) receptor				J Med Chem 37: 2371-86 (1994) BindingDB Entry DOI: 10.7270/Q2DR2TJS
					More data for this Ligand-Target Pair