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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor' and Ligand = 'BDBM50092393'   
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))
BDBM50092393
PNG
(3-(2-{[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-su...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H71N9O15S/c1-7-9-19-38(58-48(68)40(61-52(72)76-53(3,4)5)27-33-22-24-35(25-23-33)77-78(73,74)75)47(67)56-31-44(63)57-42(28-34-30-55-37-20-15-14-18-36(34)37)51(71)62(6)43(21-10-8-2)50(70)60-41(29-45(64)65)49(69)59-39(46(54)66)26-32-16-12-11-13-17-32/h11-18,20,22-25,30,38-43,55H,7-10,19,21,26-29,31H2,1-6H3,(H2,54,66)(H,56,67)(H,57,63)(H,58,68)(H,59,69)(H,60,70)(H,61,72)(H,64,65)(H,73,74,75)/t38-,39-,40-,41-,42-,43-/m0/s1
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PC sid
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Similars

Article
PubMed
0.150n/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)


Article DOI: 10.1021/jm0000416
BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair