BDBM50056102 (R)-1-(1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-(3-(methylamino)phenyl)urea::1-[(R)-1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-(3-methylamino-phenyl)-urea::CHEMBL324547::YF-476
SMILES: CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
InChI Key: InChIKey=YDZYKNJZCVIKPP-VWLOTQADSA-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)) | BDBM50056102 ((R)-1-(1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation Curated by ChEMBL | Assay Description Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells | J Med Chem 50: 3101-12 (2007) Checked by Author Article DOI: 10.1021/jm070139l BindingDB Entry DOI: 10.7270/Q2QJ7JHN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM50056102 ((R)-1-(1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation Curated by ChEMBL | Assay Description Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in CHOK1 cells | J Med Chem 50: 3101-12 (2007) Checked by Author Article DOI: 10.1021/jm070139l BindingDB Entry DOI: 10.7270/Q2QJ7JHN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin A receptor (Cavia porcellus) | BDBM50056102 ((R)-1-(1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridi...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation Curated by ChEMBL | Assay Description Displacement of [125I]BH-CCK-8S from CC1 receptor expressed in guinea pig pancreatic cells | J Med Chem 51: 565-73 (2008) Article DOI: 10.1021/jm070880t BindingDB Entry DOI: 10.7270/Q2TF014R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CCKBR (RAT) | BDBM50056102 ((R)-1-(1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridi...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 0.0794 | n/a | n/a | n/a | n/a | n/a |
James Black Foundation Curated by ChEMBL | Assay Description Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach | J Med Chem 49: 2253-61 (2006) Article DOI: 10.1021/jm051219x BindingDB Entry DOI: 10.7270/Q28K7B8B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CCKBR (RAT) | BDBM50056102 ((R)-1-(1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridi...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Curated by ChEMBL | Assay Description Inhibitory concentration against radioligand [125I]-CCK-8 binding to gastrin/Cholecystokinin type B receptor from rat brain | J Med Chem 40: 331-41 (1997) Article DOI: 10.1021/jm960669+ BindingDB Entry DOI: 10.7270/Q2VM4BBQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (RAT) | BDBM50056102 ((R)-1-(1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 502 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Curated by ChEMBL | Assay Description Inhibitory concentration against radioligand [3 H]L-364,718 binding to gastrin/Cholecystokinin type A receptor from rat pancreas | J Med Chem 40: 331-41 (1997) Article DOI: 10.1021/jm960669+ BindingDB Entry DOI: 10.7270/Q2VM4BBQ | |||||||||||
More data for this Ligand-Target Pair |