Found 2 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50005811' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005811
(CHEMBL285049 | [1-(1-Hydroxymethyl-2-phenyl-ethylc...)Show SMILES OCC(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.36,35.39,29.32,wD:31.40,TLB:27:28:30:33.37.32,THB:34:35:30:33.37.32,34:33:28.35.36:30,32:31:28:33.34.37,(18.97,-6.87,;17.43,-6.97,;16.76,-8.35,;17.62,-9.64,;19.16,-9.51,;20.02,-10.79,;21.54,-10.68,;22.21,-9.28,;21.35,-8.02,;19.81,-8.13,;15.22,-8.47,;14.35,-7.2,;15.03,-5.82,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;8.19,-11.43,;7.17,-12.7,;5.77,-12.14,;4.28,-12.55,;5.46,-11.27,;5.46,-9.8,;6.81,-9.31,;5.75,-10.55,;6.78,-11.77,)| Show InChI InChI=1S/C31H37N3O4/c35-18-25(15-19-6-2-1-3-7-19)33-30(36)28(16-24-17-32-27-9-5-4-8-26(24)27)34-31(37)38-29-22-11-20-10-21(13-22)14-23(29)12-20/h1-9,17,20-23,25,28-29,32,35H,10-16,18H2,(H,33,36)(H,34,37)/t20-,21+,22-,23+,25?,28?,29? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for in vitro binding affinity towards cholecystokinin-B (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton hunter CCK26-33 as ra... |
Bioorg Med Chem Lett 2: 403-406 (1992)
Article DOI: 10.1016/S0960-894X(00)80156-0
BindingDB Entry DOI: 10.7270/Q27H1JHP |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005811
(CHEMBL285049 | [1-(1-Hydroxymethyl-2-phenyl-ethylc...)Show SMILES OCC(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.36,35.39,29.32,wD:31.40,TLB:27:28:30:33.37.32,THB:34:35:30:33.37.32,34:33:28.35.36:30,32:31:28:33.34.37,(18.97,-6.87,;17.43,-6.97,;16.76,-8.35,;17.62,-9.64,;19.16,-9.51,;20.02,-10.79,;21.54,-10.68,;22.21,-9.28,;21.35,-8.02,;19.81,-8.13,;15.22,-8.47,;14.35,-7.2,;15.03,-5.82,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;8.19,-11.43,;7.17,-12.7,;5.77,-12.14,;4.28,-12.55,;5.46,-11.27,;5.46,-9.8,;6.81,-9.31,;5.75,-10.55,;6.78,-11.77,)| Show InChI InChI=1S/C31H37N3O4/c35-18-25(15-19-6-2-1-3-7-19)33-30(36)28(16-24-17-32-27-9-5-4-8-26(24)27)34-31(37)38-29-22-11-20-10-21(13-22)14-23(29)12-20/h1-9,17,20-23,25,28-29,32,35H,10-16,18H2,(H,33,36)(H,34,37)/t20-,21+,22-,23+,25?,28?,29? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
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