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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 = 'BDBM50287266'   
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))
BDBM50287266
PNG
(CHEMBL290122 | {3-[3-(3-Piperidin-1-ylmethyl-pheno...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C45H53N7O6/c1-51-39-21-7-6-20-38(39)41(35-16-4-2-5-17-35)49-42(43(51)54)50-44(55)48-36-18-10-14-33(30-36)23-29-58-45(56)47-24-12-22-40(53)46-25-13-28-57-37-19-11-15-34(31-37)32-52-26-8-3-9-27-52/h2,4-7,10-11,14-21,30-31,42H,3,8-9,12-13,22-29,32H2,1H3,(H,46,53)(H,47,56)(H2,48,50,55)/t42-/m0/s1
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Article
n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against gastrin receptor.


Bioorg Med Chem Lett 6: 1427-1430 (1996)


Article DOI: 10.1016/S0960-894X(96)00249-1
BindingDB Entry DOI: 10.7270/Q2XD11NF
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)
BDBM50287266
PNG
(CHEMBL290122 | {3-[3-(3-Piperidin-1-ylmethyl-pheno...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C45H53N7O6/c1-51-39-21-7-6-20-38(39)41(35-16-4-2-5-17-35)49-42(43(51)54)50-44(55)48-36-18-10-14-33(30-36)23-29-58-45(56)47-24-12-22-40(53)46-25-13-28-57-37-19-11-15-34(31-37)32-52-26-8-3-9-27-52/h2,4-7,10-11,14-21,30-31,42H,3,8-9,12-13,22-29,32H2,1H3,(H,46,53)(H,47,56)(H2,48,50,55)/t42-/m0/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
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Article
n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Cholecystokinin type B receptor


Bioorg Med Chem Lett 6: 1427-1430 (1996)


Article DOI: 10.1016/S0960-894X(96)00249-1
BindingDB Entry DOI: 10.7270/Q2XD11NF
More data for this
Ligand-Target Pair