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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor' and Ligand = 'BDBM50329185'   
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


(RAT)
BDBM50329185
PNG
(2-(4-(1H-indazol-3-yl)-5-oxo-1-phenyl-4H-benzo[b][...)
Show SMILES CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(c2n[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C35H31N7O2/c1-23(2)40(21-24-13-5-3-6-14-24)30(43)22-41-28-19-11-12-20-29(28)42-33(25-15-7-4-8-16-25)38-39-34(42)31(35(41)44)32-26-17-9-10-18-27(26)36-37-32/h3-20,23,31H,21-22H2,1-2H3,(H,36,37)
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n/an/a 21n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8 from rat CCK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6797-801 (2010)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50329185
PNG
(2-(4-(1H-indazol-3-yl)-5-oxo-1-phenyl-4H-benzo[b][...)
Show SMILES CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(c2n[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C35H31N7O2/c1-23(2)40(21-24-13-5-3-6-14-24)30(43)22-41-28-19-11-12-20-29(28)42-33(25-15-7-4-8-16-25)38-39-34(42)31(35(41)44)32-26-17-9-10-18-27(26)36-37-32/h3-20,23,31H,21-22H2,1-2H3,(H,36,37)
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PubMed
n/an/a 48.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8 from human CCK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6797-801 (2010)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50329185
PNG
(2-(4-(1H-indazol-3-yl)-5-oxo-1-phenyl-4H-benzo[b][...)
Show SMILES CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(c2n[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C35H31N7O2/c1-23(2)40(21-24-13-5-3-6-14-24)30(43)22-41-28-19-11-12-20-29(28)42-33(25-15-7-4-8-16-25)38-39-34(42)31(35(41)44)32-26-17-9-10-18-27(26)36-37-32/h3-20,23,31H,21-22H2,1-2H3,(H,36,37)
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PubMed
n/an/an/an/a 481n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat CCK1 receptor expressed in CHO cells assessed as induction of calcium release by FLIPR assay


Bioorg Med Chem Lett 20: 6797-801 (2010)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50329185
PNG
(2-(4-(1H-indazol-3-yl)-5-oxo-1-phenyl-4H-benzo[b][...)
Show SMILES CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(c2n[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C35H31N7O2/c1-23(2)40(21-24-13-5-3-6-14-24)30(43)22-41-28-19-11-12-20-29(28)42-33(25-15-7-4-8-16-25)38-39-34(42)31(35(41)44)32-26-17-9-10-18-27(26)36-37-32/h3-20,23,31H,21-22H2,1-2H3,(H,36,37)
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PubMed
n/an/an/an/a 522n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human CCK1 receptor expressed in CHO cells assessed as induction of calcium release by FLIPR assay


Bioorg Med Chem Lett 20: 6797-801 (2010)

More data for this
Ligand-Target Pair