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BDBM50052108 CHEMBL415025::Sar-Arg-Val-Tyr-Hcy-His-Mpc-Phe

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]1CCSS[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

InChI Key: InChIKey=JZXQDBMJUNCYMZ-TVNPMHNPSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50052108   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50052108
PNG
(CHEMBL415025 | Sar-Arg-Val-Tyr-Hcy-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]1CCSS[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/C47H65N13O10S2/c1-26(2)39(59-41(64)32(54-38(62)23-50-3)10-7-16-52-47(48)49)44(67)56-34(18-28-11-13-30(61)14-12-28)42(65)55-33-15-17-71-72-31-21-37(43(66)58-36(46(69)70)19-27-8-5-4-6-9-27)60(24-31)45(68)35(57-40(33)63)20-29-22-51-25-53-29/h4-6,8-9,11-14,22,25-26,31-37,39,50,61H,7,10,15-21,23-24H2,1-3H3,(H,51,53)(H,54,62)(H,55,65)(H,56,67)(H,57,63)(H,58,66)(H,59,64)(H,69,70)(H4,48,49,52)/t31-,32+,33-,34+,35-,36+,37-,39+/m1/s1
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Similars

Article
PubMed
n/an/an/a 20n/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