Found 2 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50285625' 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) | BDBM50285625
((R)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccc(N=[N+]=[N-])c(I)c1 |wU:1.0,wD:29.33,1.13,TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,(7.11,-5.46,;8.46,-6.2,;9.79,-5.42,;9.77,-3.88,;11.05,-4.76,;12.26,-3.83,;11.76,-2.38,;12.5,-1.04,;11.71,.28,;10.17,.25,;9.42,-1.09,;10.22,-2.4,;8.5,-7.74,;7.18,-8.54,;7.21,-10.08,;5.83,-7.8,;4.55,-8.64,;4.54,-10.17,;3.14,-10.52,;1.81,-10.03,;.62,-11.31,;2.12,-10.89,;3.52,-11.45,;2.11,-9.29,;3.15,-8.07,;1.81,-8.54,;9.57,-7.28,;11.1,-7.28,;9.6,-8.82,;10.95,-9.56,;10.98,-11.1,;9.67,-11.9,;9.7,-13.44,;8.31,-11.17,;12.27,-8.76,;13.62,-9.5,;13.64,-11.04,;14.99,-11.79,;16.31,-10.99,;17.66,-11.73,;18.98,-10.93,;20.3,-10.13,;16.28,-9.44,;17.59,-8.64,;14.93,-8.7,)| Show InChI InChI=1S/C33H37IN6O5/c1-33(16-23-17-36-27-5-3-2-4-25(23)27,38-32(44)45-30-21-9-19-8-20(11-21)12-22(30)10-19)31(43)37-24(15-29(41)42)13-18-6-7-28(39-40-35)26(34)14-18/h2-7,14,17,19-22,24,30,36H,8-13,15-16H2,1H3,(H,37,43)(H,38,44)(H,41,42)/t19?,20?,21?,22?,24-,30?,33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards CCK-B receptor in mouse cerebral cortex membrane using [125I]bolton assay |
Bioorg Med Chem Lett 5: 2501-2506 (1995)
Article DOI: 10.1016/0960-894X(95)00435-V
BindingDB Entry DOI: 10.7270/Q2DZ08SM |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50285625
((R)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccc(N=[N+]=[N-])c(I)c1 |wU:1.0,wD:29.33,1.13,TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,(7.11,-5.46,;8.46,-6.2,;9.79,-5.42,;9.77,-3.88,;11.05,-4.76,;12.26,-3.83,;11.76,-2.38,;12.5,-1.04,;11.71,.28,;10.17,.25,;9.42,-1.09,;10.22,-2.4,;8.5,-7.74,;7.18,-8.54,;7.21,-10.08,;5.83,-7.8,;4.55,-8.64,;4.54,-10.17,;3.14,-10.52,;1.81,-10.03,;.62,-11.31,;2.12,-10.89,;3.52,-11.45,;2.11,-9.29,;3.15,-8.07,;1.81,-8.54,;9.57,-7.28,;11.1,-7.28,;9.6,-8.82,;10.95,-9.56,;10.98,-11.1,;9.67,-11.9,;9.7,-13.44,;8.31,-11.17,;12.27,-8.76,;13.62,-9.5,;13.64,-11.04,;14.99,-11.79,;16.31,-10.99,;17.66,-11.73,;18.98,-10.93,;20.3,-10.13,;16.28,-9.44,;17.59,-8.64,;14.93,-8.7,)| Show InChI InChI=1S/C33H37IN6O5/c1-33(16-23-17-36-27-5-3-2-4-25(23)27,38-32(44)45-30-21-9-19-8-20(11-21)12-22(30)10-19)31(43)37-24(15-29(41)42)13-18-6-7-28(39-40-35)26(34)14-18/h2-7,14,17,19-22,24,30,36H,8-13,15-16H2,1H3,(H,37,43)(H,38,44)(H,41,42)/t19?,20?,21?,22?,24-,30?,33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The equilibrium binding constant to pig cerebral cortex membranes was measured |
Bioorg Med Chem Lett 5: 2501-2506 (1995)
Article DOI: 10.1016/0960-894X(95)00435-V
BindingDB Entry DOI: 10.7270/Q2DZ08SM |
More data for this
Ligand-Target Pair | |
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