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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin II receptor' and Ligand = 'BDBM50229419'   
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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50229419
PNG
(CHEMBL405381)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C50H71N13O11/c1-5-29(4)41(47(71)59-37(25-32-26-54-27-56-32)48(72)63-21-10-14-39(63)45(69)60-38(49(73)74)24-30-11-7-6-8-12-30)62-44(68)36(23-31-15-17-33(65)18-16-31)58-46(70)40(28(2)3)61-43(67)35(13-9-20-55-50(52)53)57-42(66)34(51)19-22-64/h6-8,11-12,15-18,22,26-29,34-41,65H,5,9-10,13-14,19-21,23-25,51H2,1-4H3,(H,54,56)(H,57,66)(H,58,70)(H,59,71)(H,60,69)(H,61,67)(H,62,68)(H,73,74)(H4,52,53,55)/t29-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for its ability to displace [3H]Angiotensin II (300 ng/mL) from rabbit adrenal cortex


J Med Chem 34: 2402-10 (1991)


Article DOI: 10.1021/jm00112a014
BindingDB Entry DOI: 10.7270/Q2VD71PJ
More data for this
Ligand-Target Pair