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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM85159'   
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
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM85159
PNG
(CCK-A Agonist 39)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C35H30F3N5O3/c1-22(2)42(25-18-16-23(17-19-25)35(36,37)38)32(44)21-41-30-14-8-9-15-31(30)43(24-10-4-3-5-11-24)34(46)27(33(41)45)20-29-26-12-6-7-13-28(26)39-40-29/h3-19,22,27H,20-21H2,1-2H3,(H,39,40)
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PC cid
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Similars

Article
PubMed
661n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by PDSP Ki Database




J Med Chem 40: 2706-25 (1997)


Article DOI: 10.1021/jm970265x
BindingDB Entry DOI: 10.7270/Q27M06F9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM85159
PNG
(CCK-A Agonist 39)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C35H30F3N5O3/c1-22(2)42(25-18-16-23(17-19-25)35(36,37)38)32(44)21-41-30-14-8-9-15-31(30)43(24-10-4-3-5-11-24)34(46)27(33(41)45)20-29-26-12-6-7-13-28(26)39-40-29/h3-19,22,27H,20-21H2,1-2H3,(H,39,40)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.66E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by PDSP Ki Database




J Med Chem 40: 2706-25 (1997)


Article DOI: 10.1021/jm970265x
BindingDB Entry DOI: 10.7270/Q27M06F9
More data for this
Ligand-Target Pair