Found 4 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50070466' 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 |
|---|
Cholecystokinin receptor type A
(RAT) | BDBM50070466
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)-c1nnn[nH]1)N=C2c1ccccc1F |c:43,(-2.49,1.03,;-2.49,-.51,;-3.82,-1.28,;-3.82,-2.83,;-2.49,-3.6,;-1.14,-2.83,;-1.14,-1.28,;-.16,-.35,;-.6,1.14,;.47,2.24,;.03,3.73,;1.96,1.88,;1.64,3.17,;2.62,4.31,;4.21,4.17,;5.05,2.86,;4.53,1.46,;4.09,3.17,;2.61,2.77,;3.29,1.11,;1.33,-.64,;2.27,.58,;2.01,-2.1,;3.34,-2.87,;4.67,-2.1,;4.67,-.56,;6,-2.87,;7.33,-2.11,;8.66,-2.88,;9.99,-2.12,;9.99,-.58,;8.66,.2,;7.33,-.57,;8.66,1.74,;7.4,2.63,;7.87,4.1,;9.41,4.1,;9.9,2.64,;1.28,-3.51,;-.23,-3.76,;-.69,-5.21,;-2.21,-5.54,;-2.68,-7.01,;-1.63,-8.15,;-.13,-7.82,;.33,-6.35,;1.83,-5.95,)| Show InChI InChI=1S/C34H34FN9O3/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-32(38-34(47)36-24-8-5-7-23(16-24)31-39-41-42-40-31)33(46)44(30(20)26)19-28(45)43-17-21-12-13-22(18-43)15-14-21/h2-11,16,21-22,32H,12-15,17-19H2,1H3,(H2,36,38,47)(H,39,40,41,42) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type A receptor of rat pancreatic membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50070466
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)-c1nnn[nH]1)N=C2c1ccccc1F |c:43,(-2.49,1.03,;-2.49,-.51,;-3.82,-1.28,;-3.82,-2.83,;-2.49,-3.6,;-1.14,-2.83,;-1.14,-1.28,;-.16,-.35,;-.6,1.14,;.47,2.24,;.03,3.73,;1.96,1.88,;1.64,3.17,;2.62,4.31,;4.21,4.17,;5.05,2.86,;4.53,1.46,;4.09,3.17,;2.61,2.77,;3.29,1.11,;1.33,-.64,;2.27,.58,;2.01,-2.1,;3.34,-2.87,;4.67,-2.1,;4.67,-.56,;6,-2.87,;7.33,-2.11,;8.66,-2.88,;9.99,-2.12,;9.99,-.58,;8.66,.2,;7.33,-.57,;8.66,1.74,;7.4,2.63,;7.87,4.1,;9.41,4.1,;9.9,2.64,;1.28,-3.51,;-.23,-3.76,;-.69,-5.21,;-2.21,-5.54,;-2.68,-7.01,;-1.63,-8.15,;-.13,-7.82,;.33,-6.35,;1.83,-5.95,)| Show InChI InChI=1S/C34H34FN9O3/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-32(38-34(47)36-24-8-5-7-23(16-24)31-39-41-42-40-31)33(46)44(30(20)26)19-28(45)43-17-21-12-13-22(18-43)15-14-21/h2-11,16,21-22,32H,12-15,17-19H2,1H3,(H2,36,38,47)(H,39,40,41,42) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Fujisawa Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of 124 I-CCK-8 binding at Cholecystokinin type A receptor in rat pancreatic membranes |
Bioorg Med Chem Lett 8: 1449-54 (1999)
BindingDB Entry DOI: 10.7270/Q28P5ZMJ |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50070466
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)-c1nnn[nH]1)N=C2c1ccccc1F |c:43,(-2.49,1.03,;-2.49,-.51,;-3.82,-1.28,;-3.82,-2.83,;-2.49,-3.6,;-1.14,-2.83,;-1.14,-1.28,;-.16,-.35,;-.6,1.14,;.47,2.24,;.03,3.73,;1.96,1.88,;1.64,3.17,;2.62,4.31,;4.21,4.17,;5.05,2.86,;4.53,1.46,;4.09,3.17,;2.61,2.77,;3.29,1.11,;1.33,-.64,;2.27,.58,;2.01,-2.1,;3.34,-2.87,;4.67,-2.1,;4.67,-.56,;6,-2.87,;7.33,-2.11,;8.66,-2.88,;9.99,-2.12,;9.99,-.58,;8.66,.2,;7.33,-.57,;8.66,1.74,;7.4,2.63,;7.87,4.1,;9.41,4.1,;9.9,2.64,;1.28,-3.51,;-.23,-3.76,;-.69,-5.21,;-2.21,-5.54,;-2.68,-7.01,;-1.63,-8.15,;-.13,-7.82,;.33,-6.35,;1.83,-5.95,)| Show InChI InChI=1S/C34H34FN9O3/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-32(38-34(47)36-24-8-5-7-23(16-24)31-39-41-42-40-31)33(46)44(30(20)26)19-28(45)43-17-21-12-13-22(18-43)15-14-21/h2-11,16,21-22,32H,12-15,17-19H2,1H3,(H2,36,38,47)(H,39,40,41,42) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50070466
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)-c1nnn[nH]1)N=C2c1ccccc1F |c:43,(-2.49,1.03,;-2.49,-.51,;-3.82,-1.28,;-3.82,-2.83,;-2.49,-3.6,;-1.14,-2.83,;-1.14,-1.28,;-.16,-.35,;-.6,1.14,;.47,2.24,;.03,3.73,;1.96,1.88,;1.64,3.17,;2.62,4.31,;4.21,4.17,;5.05,2.86,;4.53,1.46,;4.09,3.17,;2.61,2.77,;3.29,1.11,;1.33,-.64,;2.27,.58,;2.01,-2.1,;3.34,-2.87,;4.67,-2.1,;4.67,-.56,;6,-2.87,;7.33,-2.11,;8.66,-2.88,;9.99,-2.12,;9.99,-.58,;8.66,.2,;7.33,-.57,;8.66,1.74,;7.4,2.63,;7.87,4.1,;9.41,4.1,;9.9,2.64,;1.28,-3.51,;-.23,-3.76,;-.69,-5.21,;-2.21,-5.54,;-2.68,-7.01,;-1.63,-8.15,;-.13,-7.82,;.33,-6.35,;1.83,-5.95,)| Show InChI InChI=1S/C34H34FN9O3/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-32(38-34(47)36-24-8-5-7-23(16-24)31-39-41-42-40-31)33(46)44(30(20)26)19-28(45)43-17-21-12-13-22(18-43)15-14-21/h2-11,16,21-22,32H,12-15,17-19H2,1H3,(H2,36,38,47)(H,39,40,41,42) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type A receptor of rat pancreatic membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
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