BDBM50019274 CCK antagonist synthetic 16::CHEMBL72057::N-[5-(2-Fluoro-phenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-acetamide

SMILES: CC(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O

InChI Key: InChIKey=FODYDAHPOMAFJC-UHFFFAOYSA-N

Data: 1 KI  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 4 hits for monomerid = 50019274   

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 (RAT)	BDBM50019274 (CCK antagonist synthetic 16 | CHEMBL72057 | N-[5-(...) Show SMILES CC(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:5| Show InChI InChI=1S/C17H14FN3O2/c1-10(22)19-16-17(23)20-14-9-5-3-7-12(14)15(21-16)11-6-2-4-8-13(11)18/h2-9,16H,1H3,(H,19,22)(H,20,23)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 83: 4918-22 (1986) Article DOI: 10.1073/pnas.83.13.4918 BindingDB Entry DOI: 10.7270/Q2445K05
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50019274 (CCK antagonist synthetic 16 | CHEMBL72057 | N-[5-(...) Show SMILES CC(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:5| Show InChI InChI=1S/C17H14FN3O2/c1-10(22)19-16-17(23)20-14-9-5-3-7-12(14)15(21-16)11-6-2-4-8-13(11)18/h2-9,16H,1H3,(H,19,22)(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Half-maximal inhibition of [125I]CCK-33 binding to cholecystokinin A receptor from rat pancreatic tissue				J Med Chem 31: 2235-46 (1989) BindingDB Entry DOI: 10.7270/Q2PG1S9K
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50019274 (CCK antagonist synthetic 16 | CHEMBL72057 | N-[5-(...) Show SMILES CC(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:5| Show InChI InChI=1S/C17H14FN3O2/c1-10(22)19-16-17(23)20-14-9-5-3-7-12(14)15(21-16)11-6-2-4-8-13(11)18/h2-9,16H,1H3,(H,19,22)(H,20,23)	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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue				J Med Chem 31: 2235-46 (1989) BindingDB Entry DOI: 10.7270/Q2PG1S9K
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50019274 (CCK antagonist synthetic 16 | CHEMBL72057 | N-[5-(...) Show SMILES CC(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:5| Show InChI InChI=1S/C17H14FN3O2/c1-10(22)19-16-17(23)20-14-9-5-3-7-12(14)15(21-16)11-6-2-4-8-13(11)18/h2-9,16H,1H3,(H,19,22)(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Half-maximal inhibition of [125I]gastrin binding to guinea pig gastric glands				J Med Chem 31: 2235-46 (1989) BindingDB Entry DOI: 10.7270/Q2PG1S9K
					More data for this Ligand-Target Pair