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BDBM50032354 CHEMBL433005::isopentyloxy 2-[2-(4-{4-ethyl-5-[3-[3-pyridyl(3-pyridyl)carboxamidopropanoyl]-2-propyl-1H-1-imidazolylmethyl}-3-fluorophenyl)phenylsulfonyl]caboxamido

SMILES: CCCc1nc(CC)c(C(=O)CCN(C(=O)c2cccnc2)c2cccnc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C

InChI Key: InChIKey=KJUJQDLWFSFQJI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50032354   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Angiotensin II AT2


(RAT)		BDBM50032354
PNG
(CHEMBL433005 | isopentyloxy 2-[2-(4-{4-ethyl-5-[3-...)
Show SMILES CCCc1nc(CC)c(C(=O)CCN(C(=O)c2cccnc2)c2cccnc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C41H45FN6O6S/c1-5-11-38-45-35(6-2)39(36(49)18-22-47(32-13-10-21-44-26-32)40(50)30-12-9-20-43-25-30)48(38)27-31-17-16-29(24-34(31)42)33-14-7-8-15-37(33)55(52,53)46-41(51)54-23-19-28(3)4/h7-10,12-17,20-21,24-26,28H,5-6,11,18-19,22-23,27H2,1-4H3,(H,46,51)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.220n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-[Sar1,Ile8]Ang II binding at rat angiotensin II (type 2) receptor.

J Med Chem 38: 2938-45 (1995)


BindingDB Entry DOI: 10.7270/Q2639NRN
More data for this
Ligand-Target Pair