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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor' and Ligand = 'BDBM50154426'   
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))
BDBM50154426
PNG
((S)-2-((4R,5R)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)
Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C37H44N4O4/c1-22-33-31(12-7-13-40(33)37(44)41(35(22)42)21-23-8-3-2-4-9-23)39-32(19-28-20-38-30-11-6-5-10-29(28)30)36(43)45-34-26-15-24-14-25(17-26)18-27(34)16-24/h2-6,8-11,20,22,24-27,31-34,38-39H,7,12-19,21H2,1H3/t22-,24?,25?,26?,27?,31-,32+,33?,34?/m1/s1
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Article
PubMed
n/an/a 0.960n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of 125I]-BH-(Thr,Nle)-CCK-9 binding to human CCK2 receptor expressed in COS-7 cells


J Med Chem 47: 5318-29 (2004)


Article DOI: 10.1021/jm0498755
BindingDB Entry DOI: 10.7270/Q2VX0H8G
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50154426
PNG
((S)-2-((4R,5R)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)
Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C37H44N4O4/c1-22-33-31(12-7-13-40(33)37(44)41(35(22)42)21-23-8-3-2-4-9-23)39-32(19-28-20-38-30-11-6-5-10-29(28)30)36(43)45-34-26-15-24-14-25(17-26)18-27(34)16-24/h2-6,8-11,20,22,24-27,31-34,38-39H,7,12-19,21H2,1H3/t22-,24?,25?,26?,27?,31-,32+,33?,34?/m1/s1
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n/an/a 1.76E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of (Thr,Nle)-CCK-9-induced inositol phosphate production in COS-7 cells expressing human CCK2 receptor


J Med Chem 47: 5318-29 (2004)


Article DOI: 10.1021/jm0498755
BindingDB Entry DOI: 10.7270/Q2VX0H8G
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50154426
PNG
((S)-2-((4R,5R)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)
Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C37H44N4O4/c1-22-33-31(12-7-13-40(33)37(44)41(35(22)42)21-23-8-3-2-4-9-23)39-32(19-28-20-38-30-11-6-5-10-29(28)30)36(43)45-34-26-15-24-14-25(17-26)18-27(34)16-24/h2-6,8-11,20,22,24-27,31-34,38-39H,7,12-19,21H2,1H3/t22-,24?,25?,26?,27?,31-,32+,33?,34?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas homogenates


J Med Chem 47: 5318-29 (2004)


Article DOI: 10.1021/jm0498755
BindingDB Entry DOI: 10.7270/Q2VX0H8G
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50154426
PNG
((S)-2-((4R,5R)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)
Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C37H44N4O4/c1-22-33-31(12-7-13-40(33)37(44)41(35(22)42)21-23-8-3-2-4-9-23)39-32(19-28-20-38-30-11-6-5-10-29(28)30)36(43)45-34-26-15-24-14-25(17-26)18-27(34)16-24/h2-6,8-11,20,22,24-27,31-34,38-39H,7,12-19,21H2,1H3/t22-,24?,25?,26?,27?,31-,32+,33?,34?/m1/s1
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UniProtKB/SwissProt

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PC cid
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Article
PubMed
n/an/an/an/a 98n/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of (Thr,Nle)-CCK-9 -induced inositol phosphate production in COS-7 cells expressing human CCK2 receptor


J Med Chem 47: 5318-29 (2004)


Article DOI: 10.1021/jm0498755
BindingDB Entry DOI: 10.7270/Q2VX0H8G
More data for this
Ligand-Target Pair