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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 = 'BDBM50139783'   
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))
BDBM50139783
PNG
(Angiotensin II analogue | CHEMBL404996)
Show SMILES CCSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C47H65N13O12S2/c1-2-74-24-36(43(68)56-33(20-28-22-51-25-53-28)45(70)60-17-7-11-37(60)44(69)57-34(46(71)72)19-26-8-4-3-5-9-26)59-41(66)32(18-27-12-14-29(61)15-13-27)55-42(67)35(23-73)58-40(65)31(10-6-16-52-47(49)50)54-39(64)30(48)21-38(62)63/h3-5,8-9,12-15,22,25,30-37,61,73H,2,6-7,10-11,16-21,23-24,48H2,1H3,(H,51,53)(H,54,64)(H,55,67)(H,56,68)(H,57,69)(H,58,65)(H,59,66)(H,62,63)(H,71,72)(H4,49,50,52)/t30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.620n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor type 2 using [125I]- Ang II in pig uterus myometrium


J Med Chem 47: 859-70 (2004)


Article DOI: 10.1021/jm030921v
BindingDB Entry DOI: 10.7270/Q2736RNQ
More data for this
Ligand-Target Pair