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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor' and Ligand = 'BDBM50092409'   
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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50092409
PNG
(3-Amino-N-[1-({1-[1-(1-carbamoyl-2-phenyl-ethylcar...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H45N7O9/c1-3-4-14-28(34(50)40-26(18-30(45)46)33(49)39-25(31(37)47)15-20-10-6-5-7-11-20)42(2)35(51)27(41-32(48)23(36)17-29(43)44)16-21-19-38-24-13-9-8-12-22(21)24/h5-13,19,23,25-28,38H,3-4,14-18,36H2,1-2H3,(H2,37,47)(H,39,49)(H,40,50)(H,41,48)(H,43,44)(H,45,46)/t23-,25-,26-,27-,28-/m0/s1
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PC cid
PC sid
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PubMed
11.9n/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