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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin' and Ligand = 'BDBM50008673'   
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


(RAT)
BDBM50008673
PNG
(2-(4-Chloro-benzoylamino)-3-(1H-indol-3-yl)-propio...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H15ClN2O3/c19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24)
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CHEMBL
MCE
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PC sid
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 83: 4918-22 (1986)


Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05
More data for this
Ligand-Target Pair
Cholecystokinin


(GUINEA PIG)
BDBM50008673
PNG
(2-(4-Chloro-benzoylamino)-3-(1H-indol-3-yl)-propio...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H15ClN2O3/c19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24)
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CHEMBL
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 273: 1015-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QV3K1C
More data for this
Ligand-Target Pair
Cholecystokinin


(GUINEA PIG)
BDBM50008673
PNG
(2-(4-Chloro-benzoylamino)-3-(1H-indol-3-yl)-propio...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H15ClN2O3/c19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 273: 1015-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QV3K1C
More data for this
Ligand-Target Pair