BDBM50061270 (2R,4R)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-4-(2,4-dichloro-phenoxy)-pyrrolidine-2-carboxylic acid::CHEMBL338525
SMILES: C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1ccc(Cl)cc1Cl
InChI Key: InChIKey=WYDBLLMRZLYJNI-SCKNRWAGSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM50061270 ((2R,4R)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Binding affinity (affinity state 1) for Cholecystokinin type B receptor, was determined using CHO cells | J Med Chem 40: 3947-56 (1998) Article DOI: 10.1021/jm970439a BindingDB Entry DOI: 10.7270/Q27H1K8Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CCKBR (RAT) | BDBM50061270 ((2R,4R)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Compound was tested for binding affinity against rat brain Cholecystokinin type B receptor expressed in CHO cells. | J Med Chem 40: 3947-56 (1998) Article DOI: 10.1021/jm970439a BindingDB Entry DOI: 10.7270/Q27H1K8Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM50061270 ((2R,4R)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Binding affinity (affinity state 2) for Cholecystokinin type B receptor, was determined using CHO cells | J Med Chem 40: 3947-56 (1998) Article DOI: 10.1021/jm970439a BindingDB Entry DOI: 10.7270/Q27H1K8Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM50061270 ((2R,4R)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Compound was tested for the affinity against Cholecystokinin type B receptor on guinea pig cortex. | J Med Chem 40: 3947-56 (1998) Article DOI: 10.1021/jm970439a BindingDB Entry DOI: 10.7270/Q27H1K8Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CCKBR (RAT) | BDBM50061270 ((2R,4R)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Inhibition of inositol phosphate production induced by Cholecystokinin type B receptor (0.5 nM) | J Med Chem 40: 3947-56 (1998) Article DOI: 10.1021/jm970439a BindingDB Entry DOI: 10.7270/Q27H1K8Z | |||||||||||
More data for this Ligand-Target Pair |