BDBM50013208 CHEMBL337530::N-[5-(2-Fluoro-phenyl)-1-methyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-ylmethyl]-2-hydroxy-2-phenyl-acetamide

SMILES: CN1C(CNC(=O)C(O)c2ccccc2)CN=C(c2ccccc2F)c2ccccc12

InChI Key: InChIKey=XHQONQKZZNFALV-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50013208   

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
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50013208 (CHEMBL337530 | N-[5-(2-Fluoro-phenyl)-1-methyl-2,3...) Show SMILES CN1C(CNC(=O)C(O)c2ccccc2)CN=C(c2ccccc2F)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O2/c1-29-18(16-28-25(31)24(30)17-9-3-2-4-10-17)15-27-23(19-11-5-7-13-21(19)26)20-12-6-8-14-22(20)29/h2-14,18,24,30H,15-16H2,1H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues				J Med Chem 33: 450-5 (1990) BindingDB Entry DOI: 10.7270/Q26M35TN
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50013208 (CHEMBL337530 | N-[5-(2-Fluoro-phenyl)-1-methyl-2,3...) Show SMILES CN1C(CNC(=O)C(O)c2ccccc2)CN=C(c2ccccc2F)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O2/c1-29-18(16-28-25(31)24(30)17-9-3-2-4-10-17)15-27-23(19-11-5-7-13-21(19)26)20-12-6-8-14-22(20)29/h2-14,18,24,30H,15-16H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues				J Med Chem 33: 450-5 (1990) BindingDB Entry DOI: 10.7270/Q26M35TN
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50013208 (CHEMBL337530 | N-[5-(2-Fluoro-phenyl)-1-methyl-2,3...) Show SMILES CN1C(CNC(=O)C(O)c2ccccc2)CN=C(c2ccccc2F)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O2/c1-29-18(16-28-25(31)24(30)17-9-3-2-4-10-17)15-27-23(19-11-5-7-13-21(19)26)20-12-6-8-14-22(20)29/h2-14,18,24,30H,15-16H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas				J Med Chem 33: 450-5 (1990) BindingDB Entry DOI: 10.7270/Q26M35TN
					More data for this Ligand-Target Pair