Found 4 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50154422' 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
(RAT) | BDBM50154422
((S)-2-[(R)-2-(4-Dimethylamino-phenyl)-1,3-dioxo-oc...)Show SMILES CN(C)c1ccc(cc1)N1C(=O)CC2[C@@H](CCCN2C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:14.23,22.24,TLB:42:37:45:41.43.40,42:41:36.37.38:45,THB:40:41:36:39.38.45,40:39:36:41.43.42,35:36:39.38.45:41.43.42,35:36:45:41.43.40,(10.95,5.65,;9.67,6.42,;9.67,7.89,;8.36,5.65,;7,6.45,;5.65,5.65,;5.66,4.11,;7,3.32,;8.36,4.09,;4.31,3.33,;4.31,1.78,;5.66,.99,;2.97,1.01,;1.63,1.78,;.28,1.01,;-1.06,1.78,;-1.06,3.33,;.28,4.11,;1.63,3.33,;2.97,4.11,;2.97,5.65,;.28,-.55,;-1.06,-1.32,;-2.39,-.54,;-3.64,-1.19,;-4.12,-2.52,;-5.52,-2.5,;-5.93,-1.13,;-7.2,-.53,;-7.31,.88,;-6.14,1.67,;-4.87,1.06,;-4.76,-.34,;-1.06,-2.86,;.28,-3.65,;-2.39,-3.63,;-2.39,-5.19,;-2.39,-6.68,;-3.76,-7.01,;-5.04,-6.53,;-6.2,-7.78,;-4.75,-7.37,;-3.4,-7.91,;-4.76,-5.83,;-3.74,-4.63,;-5.04,-5.1,)| Show InChI InChI=1S/C37H45N5O4/c1-40(2)27-9-11-28(12-10-27)42-34(43)20-33-31(8-5-13-41(33)37(42)45)39-32(19-26-21-38-30-7-4-3-6-29(26)30)36(44)46-35-24-15-22-14-23(17-24)18-25(35)16-22/h3-4,6-7,9-12,21-25,31-33,35,38-39H,5,8,13-20H2,1-2H3/t22?,23?,24?,25?,31-,32+,33?,35?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 276 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type B receptor of rat cerebral cortex homogenates |
J Med Chem 47: 5318-29 (2004)
Article DOI: 10.1021/jm0498755
BindingDB Entry DOI: 10.7270/Q2VX0H8G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50154422
((S)-2-[(R)-2-(4-Dimethylamino-phenyl)-1,3-dioxo-oc...)Show SMILES CN(C)c1ccc(cc1)N1C(=O)CC2[C@@H](CCCN2C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:14.23,22.24,TLB:42:37:45:41.43.40,42:41:36.37.38:45,THB:40:41:36:39.38.45,40:39:36:41.43.42,35:36:39.38.45:41.43.42,35:36:45:41.43.40,(10.95,5.65,;9.67,6.42,;9.67,7.89,;8.36,5.65,;7,6.45,;5.65,5.65,;5.66,4.11,;7,3.32,;8.36,4.09,;4.31,3.33,;4.31,1.78,;5.66,.99,;2.97,1.01,;1.63,1.78,;.28,1.01,;-1.06,1.78,;-1.06,3.33,;.28,4.11,;1.63,3.33,;2.97,4.11,;2.97,5.65,;.28,-.55,;-1.06,-1.32,;-2.39,-.54,;-3.64,-1.19,;-4.12,-2.52,;-5.52,-2.5,;-5.93,-1.13,;-7.2,-.53,;-7.31,.88,;-6.14,1.67,;-4.87,1.06,;-4.76,-.34,;-1.06,-2.86,;.28,-3.65,;-2.39,-3.63,;-2.39,-5.19,;-2.39,-6.68,;-3.76,-7.01,;-5.04,-6.53,;-6.2,-7.78,;-4.75,-7.37,;-3.4,-7.91,;-4.76,-5.83,;-3.74,-4.63,;-5.04,-5.1,)| Show InChI InChI=1S/C37H45N5O4/c1-40(2)27-9-11-28(12-10-27)42-34(43)20-33-31(8-5-13-41(33)37(42)45)39-32(19-26-21-38-30-7-4-3-6-29(26)30)36(44)46-35-24-15-22-14-23(17-24)18-25(35)16-22/h3-4,6-7,9-12,21-25,31-33,35,38-39H,5,8,13-20H2,1-2H3/t22?,23?,24?,25?,31-,32+,33?,35?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 723 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of 125I]-BH-(Thr,Nle)-CCK-9 binding to human CCK2 receptor expressed in COS-7 cells |
J Med Chem 47: 5318-29 (2004)
Article DOI: 10.1021/jm0498755
BindingDB Entry DOI: 10.7270/Q2VX0H8G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50154422
((S)-2-[(R)-2-(4-Dimethylamino-phenyl)-1,3-dioxo-oc...)Show SMILES CN(C)c1ccc(cc1)N1C(=O)CC2[C@@H](CCCN2C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:14.23,22.24,TLB:42:37:45:41.43.40,42:41:36.37.38:45,THB:40:41:36:39.38.45,40:39:36:41.43.42,35:36:39.38.45:41.43.42,35:36:45:41.43.40,(10.95,5.65,;9.67,6.42,;9.67,7.89,;8.36,5.65,;7,6.45,;5.65,5.65,;5.66,4.11,;7,3.32,;8.36,4.09,;4.31,3.33,;4.31,1.78,;5.66,.99,;2.97,1.01,;1.63,1.78,;.28,1.01,;-1.06,1.78,;-1.06,3.33,;.28,4.11,;1.63,3.33,;2.97,4.11,;2.97,5.65,;.28,-.55,;-1.06,-1.32,;-2.39,-.54,;-3.64,-1.19,;-4.12,-2.52,;-5.52,-2.5,;-5.93,-1.13,;-7.2,-.53,;-7.31,.88,;-6.14,1.67,;-4.87,1.06,;-4.76,-.34,;-1.06,-2.86,;.28,-3.65,;-2.39,-3.63,;-2.39,-5.19,;-2.39,-6.68,;-3.76,-7.01,;-5.04,-6.53,;-6.2,-7.78,;-4.75,-7.37,;-3.4,-7.91,;-4.76,-5.83,;-3.74,-4.63,;-5.04,-5.1,)| Show InChI InChI=1S/C37H45N5O4/c1-40(2)27-9-11-28(12-10-27)42-34(43)20-33-31(8-5-13-41(33)37(42)45)39-32(19-26-21-38-30-7-4-3-6-29(26)30)36(44)46-35-24-15-22-14-23(17-24)18-25(35)16-22/h3-4,6-7,9-12,21-25,31-33,35,38-39H,5,8,13-20H2,1-2H3/t22?,23?,24?,25?,31-,32+,33?,35?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of (Thr,Nle)-CCK-9-induced inositol phosphate production in COS-7 cells expressing human CCK2 receptor |
J Med Chem 47: 5318-29 (2004)
Article DOI: 10.1021/jm0498755
BindingDB Entry DOI: 10.7270/Q2VX0H8G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50154422
((S)-2-[(R)-2-(4-Dimethylamino-phenyl)-1,3-dioxo-oc...)Show SMILES CN(C)c1ccc(cc1)N1C(=O)CC2[C@@H](CCCN2C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:14.23,22.24,TLB:42:37:45:41.43.40,42:41:36.37.38:45,THB:40:41:36:39.38.45,40:39:36:41.43.42,35:36:39.38.45:41.43.42,35:36:45:41.43.40,(10.95,5.65,;9.67,6.42,;9.67,7.89,;8.36,5.65,;7,6.45,;5.65,5.65,;5.66,4.11,;7,3.32,;8.36,4.09,;4.31,3.33,;4.31,1.78,;5.66,.99,;2.97,1.01,;1.63,1.78,;.28,1.01,;-1.06,1.78,;-1.06,3.33,;.28,4.11,;1.63,3.33,;2.97,4.11,;2.97,5.65,;.28,-.55,;-1.06,-1.32,;-2.39,-.54,;-3.64,-1.19,;-4.12,-2.52,;-5.52,-2.5,;-5.93,-1.13,;-7.2,-.53,;-7.31,.88,;-6.14,1.67,;-4.87,1.06,;-4.76,-.34,;-1.06,-2.86,;.28,-3.65,;-2.39,-3.63,;-2.39,-5.19,;-2.39,-6.68,;-3.76,-7.01,;-5.04,-6.53,;-6.2,-7.78,;-4.75,-7.37,;-3.4,-7.91,;-4.76,-5.83,;-3.74,-4.63,;-5.04,-5.1,)| Show InChI InChI=1S/C37H45N5O4/c1-40(2)27-9-11-28(12-10-27)42-34(43)20-33-31(8-5-13-41(33)37(42)45)39-32(19-26-21-38-30-7-4-3-6-29(26)30)36(44)46-35-24-15-22-14-23(17-24)18-25(35)16-22/h3-4,6-7,9-12,21-25,31-33,35,38-39H,5,8,13-20H2,1-2H3/t22?,23?,24?,25?,31-,32+,33?,35?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 517 | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of (Thr,Nle)-CCK-9 -induced inositol phosphate production in COS-7 cells expressing human CCK2 receptor |
J Med Chem 47: 5318-29 (2004)
Article DOI: 10.1021/jm0498755
BindingDB Entry DOI: 10.7270/Q2VX0H8G |
More data for this
Ligand-Target Pair | |
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