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BDBM50092387 CHEMBL118610::N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2-{[3-(1H-indol-3-yl)-2-isobutyrylamino-propionyl]-methyl-amino}-hexanoylamino)-succinamic acid

SMILES: CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=BAEPLDDHZWYKGZ-DZUOILHNSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50092387   
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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092387
PNG
(CHEMBL118610 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H46N6O7/c1-5-6-16-29(34(47)39-27(19-30(42)43)33(46)38-26(31(36)44)17-22-12-8-7-9-13-22)41(4)35(48)28(40-32(45)21(2)3)18-23-20-37-25-15-11-10-14-24(23)25/h7-15,20-21,26-29,37H,5-6,16-19H2,1-4H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,42,43)/t26-,27-,28-,29-/m0/s1
Reactome pathway
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CHEMBL
PC cid
PC sid
UniChem
PubMed
1.37n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair