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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Type-1 angiotensin II receptor' and Ligand = 'BDBM50035430'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035430
PNG
(CHEMBL140708 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)Cc3ccccc3)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C40H35Cl2N5O5S/c1-2-3-17-37-44-47(35-25-30(22-23-34(35)42)43-38(48)24-27-11-5-4-6-12-27)40(50)46(37)26-28-18-20-29(21-19-28)31-13-8-10-16-36(31)53(51,52)45-39(49)32-14-7-9-15-33(32)41/h4-16,18-23,25H,2-3,17,24,26H2,1H3,(H,43,48)(H,45,49)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
n/an/a 0.120n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at AT1 receptor in rabbit aorta membranes

Citation and Details

Article DOI: 10.1007/s00044-013-0831-x
BindingDB Entry DOI: 10.7270/Q2C82BRJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035430
PNG
(CHEMBL140708 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)Cc3ccccc3)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C40H35Cl2N5O5S/c1-2-3-17-37-44-47(35-25-30(22-23-34(35)42)43-38(48)24-27-11-5-4-6-12-27)40(50)46(37)26-28-18-20-29(21-19-28)31-13-8-10-16-36(31)53(51,52)45-39(49)32-14-7-9-15-33(32)41/h4-16,18-23,25H,2-3,17,24,26H2,1H3,(H,43,48)(H,45,49)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin I (AT1) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a...

J Med Chem 37: 4464-78 (1995)


BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair