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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 = 'BDBM50052104'   
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))
BDBM50052104
PNG
(CHEMBL410812 | Sar-Arg-Val-Tyr-Asp-His-Apt-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]1CC(=O)N[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/C47H64N14O11/c1-25(2)39(60-40(65)31(55-38(64)22-50-3)10-7-15-52-47(48)49)44(69)57-32(16-27-11-13-30(62)14-12-27)41(66)56-33-20-37(63)54-29-19-36(43(68)59-35(46(71)72)17-26-8-5-4-6-9-26)61(23-29)45(70)34(58-42(33)67)18-28-21-51-24-53-28/h4-6,8-9,11-14,21,24-25,29,31-36,39,50,62H,7,10,15-20,22-23H2,1-3H3,(H,51,53)(H,54,63)(H,55,64)(H,56,66)(H,57,69)(H,58,67)(H,59,68)(H,60,65)(H,71,72)(H4,48,49,52)/t29-,31+,32+,33-,34-,35+,36-,39+/m1/s1
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Similars

Article
PubMed
n/an/an/a>1.00E+4n/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