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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor' and Ligand = 'BDBM50046126'   
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))
BDBM50046126
PNG
(3-(2-Amino-3-phenyl-propionylamino)-N-{1-[1-tert-b...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
Show InChI InChI=1S/C34H45N5O7/c1-5-6-15-26(37-32(44)27(19-29(40)41)38-30(42)24(35)17-21-12-8-7-9-13-21)31(43)39-28(33(45)46-34(2,3)4)18-22-20-36-25-16-11-10-14-23(22)25/h7-14,16,20,24,26-28,36H,5-6,15,17-19,35H2,1-4H3,(H,37,44)(H,38,42)(H,39,43)(H,40,41)/t24-,26-,27-,28-/m0/s1
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
3.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL




J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50046126
PNG
(3-(2-Amino-3-phenyl-propionylamino)-N-{1-[1-tert-b...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
Show InChI InChI=1S/C34H45N5O7/c1-5-6-15-26(37-32(44)27(19-29(40)41)38-30(42)24(35)17-21-12-8-7-9-13-21)31(43)39-28(33(45)46-34(2,3)4)18-22-20-36-25-16-11-10-14-23(22)25/h7-14,16,20,24,26-28,36H,5-6,15,17-19,35H2,1-4H3,(H,37,44)(H,38,42)(H,39,43)(H,40,41)/t24-,26-,27-,28-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
160n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair