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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 = 'BDBM50284656'   
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


(Homo sapiens (Human))
BDBM50284656
PNG
(CHEMBL28918 | Pentanoic acid benzyl-{3-[2'-(1-meth...)
Show SMILES CCCCC(=O)N(Cc1ccccc1)c1ccc2ncn(Cc3ccc(cc3)-c3ccccc3-c3nnnn3C)c(=O)c2c1
Show InChI InChI=1S/C35H33N7O2/c1-3-4-14-33(43)42(23-25-10-6-5-7-11-25)28-19-20-32-31(21-28)35(44)41(24-36-32)22-26-15-17-27(18-16-26)29-12-8-9-13-30(29)34-37-38-39-40(34)2/h5-13,15-21,24H,3-4,14,22-23H2,1-2H3
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PC cid
PC sid
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Article
n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against AT1 receptor in rabbit aorta


Bioorg Med Chem Lett 5: 1359-1364 (1995)


Article DOI: 10.1016/0960-894X(95)00224-H
BindingDB Entry DOI: 10.7270/Q2086589
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50284656
PNG
(CHEMBL28918 | Pentanoic acid benzyl-{3-[2'-(1-meth...)
Show SMILES CCCCC(=O)N(Cc1ccccc1)c1ccc2ncn(Cc3ccc(cc3)-c3ccccc3-c3nnnn3C)c(=O)c2c1
Show InChI InChI=1S/C35H33N7O2/c1-3-4-14-33(43)42(23-25-10-6-5-7-11-25)28-19-20-32-31(21-28)35(44)41(24-36-32)22-26-15-17-27(18-16-26)29-12-8-9-13-30(29)34-37-38-39-40(34)2/h5-13,15-21,24H,3-4,14,22-23H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against AT1 receptor in rabbit aorta


Bioorg Med Chem Lett 5: 1359-1364 (1995)


Article DOI: 10.1016/0960-894X(95)00224-H
BindingDB Entry DOI: 10.7270/Q2086589
More data for this
Ligand-Target Pair