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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 = 'BDBM50052106'   
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))
BDBM50052106
PNG
(CHEMBL406170 | Sar-Arg-Val-Tyr-Cys-His-Mpc-Phe)
Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSS[C@@H]2C[C@@H](N(C2)C(=O)[C@@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C46H63N13O10S2/c1-25(2)38(58-39(62)31(53-37(61)21-49-3)10-7-15-51-46(47)48)43(66)54-32(16-27-11-13-29(60)14-12-27)40(63)57-35-23-70-71-30-19-36(42(65)56-34(45(68)69)17-26-8-5-4-6-9-26)59(22-30)44(67)33(55-41(35)64)18-28-20-50-24-52-28/h4-6,8-9,11-14,20,24-25,30-36,38,49,60H,7,10,15-19,21-23H2,1-3H3,(H,50,52)(H,53,61)(H,54,66)(H,55,64)(H,56,65)(H,57,63)(H,58,62)(H,68,69)(H4,47,48,51)/t30-,31+,32+,33-,34+,35-,36-,38+/m1/s1
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Similars

Article
PubMed
n/an/an/a 2.30E+3n/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was determined against Angiotensin II receptor, type 1


J Med Chem 39: 2738-44 (1996)

More data for this
Ligand-Target Pair