BDBM50013206 CHEMBL434231::N'-N-Diethyl-N'-[5-(2-fluoro-phenyl)-1-methyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-ylmethyl]-methanediamine

SMILES: CCN(CC)CNCC1CN=C(c2ccccc2F)c2ccccc2N1C

InChI Key: InChIKey=OEQQDJHWZBJNEH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50013206   

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))	BDBM50013206 (CHEMBL434231 | N'-N-Diethyl-N'-[5-(2-fluoro-phenyl...) Show SMILES CCN(CC)CNCC1CN=C(c2ccccc2F)c2ccccc2N1C |t:10| Show InChI InChI=1S/C22H29FN4/c1-4-27(5-2)16-24-14-17-15-25-22(18-10-6-8-12-20(18)23)19-11-7-9-13-21(19)26(17)3/h6-13,17,24H,4-5,14-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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)	BDBM50013206 (CHEMBL434231 | N'-N-Diethyl-N'-[5-(2-fluoro-phenyl...) Show SMILES CCN(CC)CNCC1CN=C(c2ccccc2F)c2ccccc2N1C |t:10| Show InChI InChI=1S/C22H29FN4/c1-4-27(5-2)16-24-14-17-15-25-22(18-10-6-8-12-20(18)23)19-11-7-9-13-21(19)26(17)3/h6-13,17,24H,4-5,14-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 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