BDBM50043556 CHEMBL137516::N,N-Diethyl-2-{3-[3-(3-methoxy-phenyl)-ureido]-2-oxo-5-phenyl-2,3-dihydro-benzo[e][1,4]diazepin-1-yl}-acetamide

SMILES: CCN(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(OC)c2)C1=O)c1ccccc1

InChI Key: InChIKey=UIANHUVQDDTIHO-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 = 50043556   

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)	BDBM50043556 (CHEMBL137516 | N,N-Diethyl-2-{3-[3-(3-methoxy-phen...) Show SMILES CCN(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(OC)c2)C1=O)c1ccccc1 |c:16| Show InChI InChI=1S/C29H31N5O4/c1-4-33(5-2)25(35)19-34-24-17-10-9-16-23(24)26(20-12-7-6-8-13-20)31-27(28(34)36)32-29(37)30-21-14-11-15-22(18-21)38-3/h6-18,27H,4-5,19H2,1-3H3,(H2,30,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]CCK-8 to cholecystokinin type A receptor in rat pancreatic tissue				J Med Chem 36: 4276-92 (1994) BindingDB Entry DOI: 10.7270/Q22J6CH9
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50043556 (CHEMBL137516 | N,N-Diethyl-2-{3-[3-(3-methoxy-phen...) Show SMILES CCN(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(OC)c2)C1=O)c1ccccc1 |c:16| Show InChI InChI=1S/C29H31N5O4/c1-4-33(5-2)25(35)19-34-24-17-10-9-16-23(24)26(20-12-7-6-8-13-20)31-27(28(34)36)32-29(37)30-21-14-11-15-22(18-21)38-3/h6-18,27H,4-5,19H2,1-3H3,(H2,30,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor				J Med Chem 36: 4276-92 (1994) BindingDB Entry DOI: 10.7270/Q22J6CH9
					More data for this Ligand-Target Pair