Found 18 hits of Enzyme Inhibition Constant Data 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/Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50227025
(CHEMBL423869)Show SMILES NC1=Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1F |c:10,t:1| Show InChI InChI=1S/C24H19FN4/c25-19-10-4-1-8-17(19)23-18-9-3-6-12-21(18)29-24(26)22(28-23)13-15-14-27-20-11-5-2-7-16(15)20/h1-12,14,22,27H,13H2,(H2,26,29)/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards cholecystokinin receptor by the displacement of [125I]CCK-33 in rat pancreatic tissue |
J Med Chem 31: 264-8 (1988)
BindingDB Entry DOI: 10.7270/Q24B33HD |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50227026
(CHEMBL314579)Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(NC#N)=Nc2ccccc12 |c:26,t:8| Show InChI InChI=1S/C25H18FN5/c26-20-10-4-1-8-18(20)24-19-9-3-6-12-22(19)31-25(29-15-27)23(30-24)13-16-14-28-21-11-5-2-7-17(16)21/h1-12,14,23,28H,13H2,(H,29,31)/t23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards cholecystokinin receptor by the displacement of [125I]CCK-33 in rat pancreatic tissue |
J Med Chem 31: 264-8 (1988)
BindingDB Entry DOI: 10.7270/Q24B33HD |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50227024
(CHEMBL316238)Show SMILES CCCNC1=Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1F |c:13,t:4| Show InChI InChI=1S/C27H25FN4/c1-2-15-29-27-25(16-18-17-30-23-13-7-4-9-19(18)23)31-26(20-10-3-6-12-22(20)28)21-11-5-8-14-24(21)32-27/h3-14,17,25,30H,2,15-16H2,1H3,(H,29,32)/t25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards cholecystokinin receptor by the displacement of [125I]CCK-33 in rat pancreatic tissue |
J Med Chem 31: 264-8 (1988)
BindingDB Entry DOI: 10.7270/Q24B33HD |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50227029
(CHEMBL315184)Show SMILES OC(=O)CNC1=Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1F |c:14,t:5| Show InChI InChI=1S/C26H21FN4O2/c27-20-10-4-1-8-18(20)25-19-9-3-6-12-22(19)31-26(29-15-24(32)33)23(30-25)13-16-14-28-21-11-5-2-7-17(16)21/h1-12,14,23,28H,13,15H2,(H,29,31)(H,32,33)/t23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards cholecystokinin receptor by the displacement of [125I]CCK-33 in rat pancreatic tissue |
J Med Chem 31: 264-8 (1988)
BindingDB Entry DOI: 10.7270/Q24B33HD |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50227028
(CHEMBL316190)Show SMILES CNC1=Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1F |c:11,t:2| Show InChI InChI=1S/C25H21FN4/c1-27-25-23(14-16-15-28-21-12-6-3-8-17(16)21)29-24(18-9-2-5-11-20(18)26)19-10-4-7-13-22(19)30-25/h2-13,15,23,28H,14H2,1H3,(H,27,30)/t23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards cholecystokinin receptor by the displacement of [125I]CCK-33 in rat pancreatic tissue |
J Med Chem 31: 264-8 (1988)
BindingDB Entry DOI: 10.7270/Q24B33HD |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50227029
(CHEMBL315184)Show SMILES OC(=O)CNC1=Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1F |c:14,t:5| Show InChI InChI=1S/C26H21FN4O2/c27-20-10-4-1-8-18(20)25-19-9-3-6-12-22(19)31-26(29-15-24(32)33)23(30-25)13-16-14-28-21-11-5-2-7-17(16)21/h1-12,14,23,28H,13,15H2,(H,29,31)(H,32,33)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards cholecystokinin receptor by displacement of [125I]CCK-33 from guinea pig brain tissue |
J Med Chem 31: 264-8 (1988)
BindingDB Entry DOI: 10.7270/Q24B33HD |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50227021
(CHEMBL329552)Show SMILES CCOC(=O)CNC1=Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1F |c:16,t:7| Show InChI InChI=1S/C28H25FN4O2/c1-2-35-26(34)17-31-28-25(15-18-16-30-23-13-7-4-9-19(18)23)32-27(20-10-3-6-12-22(20)29)21-11-5-8-14-24(21)33-28/h3-14,16,25,30H,2,15,17H2,1H3,(H,31,33)/t25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards cholecystokinin receptor by the displacement of [125I]CCK-33 in rat pancreatic tissue |
J Med Chem 31: 264-8 (1988)
BindingDB Entry DOI: 10.7270/Q24B33HD |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50227022
(CHEMBL314081)Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(Nc2ccccc2)=Nc2ccccc12 |c:31,t:8| Show InChI InChI=1S/C30H23FN4/c31-25-15-7-4-13-23(25)29-24-14-6-9-17-27(24)35-30(33-21-10-2-1-3-11-21)28(34-29)18-20-19-32-26-16-8-5-12-22(20)26/h1-17,19,28,32H,18H2,(H,33,35)/t28-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards cholecystokinin receptor by the displacement of [125I]CCK-33 in rat pancreatic tissue |
J Med Chem 31: 264-8 (1988)
BindingDB Entry DOI: 10.7270/Q24B33HD |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50227021
(CHEMBL329552)Show SMILES CCOC(=O)CNC1=Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1F |c:16,t:7| Show InChI InChI=1S/C28H25FN4O2/c1-2-35-26(34)17-31-28-25(15-18-16-30-23-13-7-4-9-19(18)23)32-27(20-10-3-6-12-22(20)29)21-11-5-8-14-24(21)33-28/h3-14,16,25,30H,2,15,17H2,1H3,(H,31,33)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards cholecystokinin receptor by displacement of [125I]CCK-33 from guinea pig brain tissue |
J Med Chem 31: 264-8 (1988)
BindingDB Entry DOI: 10.7270/Q24B33HD |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50007664
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19| Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards cholecystokinin receptor by the displacement of [125I]CCK-33 in rat pancreatic tissue |
J Med Chem 31: 264-8 (1988)
BindingDB Entry DOI: 10.7270/Q24B33HD |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50227022
(CHEMBL314081)Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(Nc2ccccc2)=Nc2ccccc12 |c:31,t:8| Show InChI InChI=1S/C30H23FN4/c31-25-15-7-4-13-23(25)29-24-14-6-9-17-27(24)35-30(33-21-10-2-1-3-11-21)28(34-29)18-20-19-32-26-16-8-5-12-22(20)26/h1-17,19,28,32H,18H2,(H,33,35)/t28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards cholecystokinin receptor by displacement of [125I]CCK-33 from guinea pig brain tissue |
J Med Chem 31: 264-8 (1988)
BindingDB Entry DOI: 10.7270/Q24B33HD |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50227027
(CHEMBL315358)Show SMILES CNc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(NC)=Nc2ccccc12 |c:26,t:9| Show InChI InChI=1S/C26H25N5/c1-27-21-12-6-4-10-19(21)25-20-11-5-8-14-23(20)31-26(28-2)24(30-25)15-17-16-29-22-13-7-3-9-18(17)22/h3-14,16,24,27,29H,15H2,1-2H3,(H,28,31)/t24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards cholecystokinin receptor by the displacement of [125I]CCK-33 in rat pancreatic tissue |
J Med Chem 31: 264-8 (1988)
BindingDB Entry DOI: 10.7270/Q24B33HD |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50227027
(CHEMBL315358)Show SMILES CNc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(NC)=Nc2ccccc12 |c:26,t:9| Show InChI InChI=1S/C26H25N5/c1-27-21-12-6-4-10-19(21)25-20-11-5-8-14-23(20)31-26(28-2)24(30-25)15-17-16-29-22-13-7-3-9-18(17)22/h3-14,16,24,27,29H,15H2,1-2H3,(H,28,31)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards cholecystokinin receptor by displacement of [125I]CCK-33 from guinea pig brain tissue |
J Med Chem 31: 264-8 (1988)
BindingDB Entry DOI: 10.7270/Q24B33HD |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50227026
(CHEMBL314579)Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(NC#N)=Nc2ccccc12 |c:26,t:8| Show InChI InChI=1S/C25H18FN5/c26-20-10-4-1-8-18(20)24-19-9-3-6-12-22(19)31-25(29-15-27)23(30-24)13-16-14-28-21-11-5-2-7-17(16)21/h1-12,14,23,28H,13H2,(H,29,31)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards cholecystokinin receptor by displacement of [125I]CCK-33 from guinea pig brain tissue |
J Med Chem 31: 264-8 (1988)
BindingDB Entry DOI: 10.7270/Q24B33HD |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50227025
(CHEMBL423869)Show SMILES NC1=Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1F |c:10,t:1| Show InChI InChI=1S/C24H19FN4/c25-19-10-4-1-8-17(19)23-18-9-3-6-12-21(18)29-24(26)22(28-23)13-15-14-27-20-11-5-2-7-16(15)20/h1-12,14,22,27H,13H2,(H2,26,29)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards cholecystokinin receptor by displacement of [125I]CCK-33 from guinea pig brain tissue |
J Med Chem 31: 264-8 (1988)
BindingDB Entry DOI: 10.7270/Q24B33HD |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50227024
(CHEMBL316238)Show SMILES CCCNC1=Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1F |c:13,t:4| Show InChI InChI=1S/C27H25FN4/c1-2-15-29-27-25(16-18-17-30-23-13-7-4-9-19(18)23)31-26(20-10-3-6-12-22(20)28)21-11-5-8-14-24(21)32-27/h3-14,17,25,30H,2,15-16H2,1H3,(H,29,32)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards cholecystokinin receptor by displacement of [125I]CCK-33 from guinea pig brain tissue |
J Med Chem 31: 264-8 (1988)
BindingDB Entry DOI: 10.7270/Q24B33HD |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50007664
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19| Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards cholecystokinin receptor by displacement of [125I]CCK-33 from guinea pig brain tissue |
J Med Chem 31: 264-8 (1988)
BindingDB Entry DOI: 10.7270/Q24B33HD |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50227028
(CHEMBL316190)Show SMILES CNC1=Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1F |c:11,t:2| Show InChI InChI=1S/C25H21FN4/c1-27-25-23(14-16-15-28-21-12-6-3-8-17(16)21)29-24(18-9-2-5-11-20(18)26)19-10-4-7-13-22(19)30-25/h2-13,15,23,28H,14H2,1H3,(H,27,30)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards cholecystokinin receptor by displacement of [125I]CCK-33 from guinea pig brain tissue |
J Med Chem 31: 264-8 (1988)
BindingDB Entry DOI: 10.7270/Q24B33HD |
More data for this
Ligand-Target Pair | |
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