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3 similar compounds to monomer 50329178

Wt: 665.7
BDBM50072422
Wt: 637.6
BDBM50072420
Wt: 605.6
BDBM50422156

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50072422,50072420,50422156   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin receptor


(RAT)
BDBM50072420
PNG
(2-{3-[3-(3-Benzoyl-phenyl)-ureido]-2,4-dioxo-5-phe...)
Show SMILES CN(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2cccc(c2)C(=O)c2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C38H31N5O5/c1-41(29-18-7-3-8-19-29)33(44)25-42-31-22-11-12-23-32(31)43(30-20-9-4-10-21-30)37(47)34(36(42)46)40-38(48)39-28-17-13-16-27(24-28)35(45)26-14-5-2-6-15-26/h2-24,34H,25H2,1H3,(H2,39,40,48)
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n/an/a 290n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of 125I]-D-Tyr-Gly-[(Nle28,31)CCK-26-33] from rat cell membrane Cholecystokinin type A receptor


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50422156
PNG
(CHEMBL346179)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C34H31N5O6/c1-22(2)38(26-19-17-23(18-20-26)33(43)44)29(40)21-37-27-15-9-10-16-28(27)39(25-13-7-4-8-14-25)32(42)30(31(37)41)36-34(45)35-24-11-5-3-6-12-24/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)
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n/an/a 40n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type B receptor expressed in CHO-K1 cells


J Med Chem 39: 562-9 (1996)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50422156
PNG
(CHEMBL346179)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C34H31N5O6/c1-22(2)38(26-19-17-23(18-20-26)33(43)44)29(40)21-37-27-15-9-10-16-28(27)39(25-13-7-4-8-14-25)32(42)30(31(37)41)36-34(45)35-24-11-5-3-6-12-24/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)
PDB

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n/an/a 2.51E+3n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type A receptor stably expressed in CHO-K1 cells


J Med Chem 39: 562-9 (1996)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50072422
PNG
(2-{3-[3-(3-Benzoyl-phenyl)-ureido]-2,4-dioxo-5-phe...)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2cccc(c2)C(=O)c2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C40H35N5O5/c1-27(2)44(31-19-8-4-9-20-31)35(46)26-43-33-23-12-13-24-34(33)45(32-21-10-5-11-22-32)39(49)36(38(43)48)42-40(50)41-30-18-14-17-29(25-30)37(47)28-15-6-3-7-16-28/h3-25,27,36H,26H2,1-2H3,(H2,41,42,50)
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n/an/a 160n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of 125I]-D-Tyr-Gly-[(Nle28,31)CCK-26-33] from rat cell membrane Cholecystokinin type A receptor


Citation and Details
More data for this
Ligand-Target Pair