BDBM50040664 1-(5-Azepan-1-yl-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea::CHEMBL311061

SMILES: CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1

InChI Key: InChIKey=ZMUBIYUMHFIWON-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50040664   

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 (RAT)	BDBM50040664 (1-(5-Azepan-1-yl-1-methyl-2-oxo-2,3-dihydro-1H-ben...) Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1 |c:9| Show InChI InChI=1S/C24H29N5O2/c1-17-10-9-11-18(16-17)25-24(31)27-21-23(30)28(2)20-13-6-5-12-19(20)22(26-21)29-14-7-3-4-8-15-29/h5-6,9-13,16,21H,3-4,7-8,14-15H2,1-2H3,(H2,25,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ligand binding to Cholecystokinin type A receptor receptor from rat pancreatic tissue.				J Med Chem 40: 2491-501 (1997) Article DOI: 10.1021/jm9608523 BindingDB Entry DOI: 10.7270/Q2F47N84
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50040664 (1-(5-Azepan-1-yl-1-methyl-2-oxo-2,3-dihydro-1H-ben...) Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1 |c:9| Show InChI InChI=1S/C24H29N5O2/c1-17-10-9-11-18(16-17)25-24(31)27-21-23(30)28(2)20-13-6-5-12-19(20)22(26-21)29-14-7-3-4-8-15-29/h5-6,9-13,16,21H,3-4,7-8,14-15H2,1-2H3,(H2,25,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding activity against Cholecystokinin type B receptor from guinea pig cortex using [125]BH CCK-8s as radioligand.				J Med Chem 37: 719-21 (1994) BindingDB Entry DOI: 10.7270/Q2QN67FP
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50040664 (1-(5-Azepan-1-yl-1-methyl-2-oxo-2,3-dihydro-1H-ben...) Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1 |c:9| Show InChI InChI=1S/C24H29N5O2/c1-17-10-9-11-18(16-17)25-24(31)27-21-23(30)28(2)20-13-6-5-12-19(20)22(26-21)29-14-7-3-4-8-15-29/h5-6,9-13,16,21H,3-4,7-8,14-15H2,1-2H3,(H2,25,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding activity against Cholecystokinin type A receptor from rat pancreas using [125]BH CCK-8s as radioligand.				J Med Chem 37: 719-21 (1994) BindingDB Entry DOI: 10.7270/Q2QN67FP
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50040664 (1-(5-Azepan-1-yl-1-methyl-2-oxo-2,3-dihydro-1H-ben...) Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1 |c:9| Show InChI InChI=1S/C24H29N5O2/c1-17-10-9-11-18(16-17)25-24(31)27-21-23(30)28(2)20-13-6-5-12-19(20)22(26-21)29-14-7-3-4-8-15-29/h5-6,9-13,16,21H,3-4,7-8,14-15H2,1-2H3,(H2,25,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig cortical membrane.				J Med Chem 40: 2491-501 (1997) Article DOI: 10.1021/jm9608523 BindingDB Entry DOI: 10.7270/Q2F47N84
					More data for this Ligand-Target Pair