BDBM50013192 CHEMBL140495::[5-(2-Fluoro-phenyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylmethyl]-carbamic acid benzyl ester

SMILES: Fc1ccccc1C1=NC(CNC(=O)OCc2ccccc2)CNc2ccccc12

InChI Key: InChIKey=AHHXPJAEVZEJBL-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 = 50013192   

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)	BDBM50013192 (CHEMBL140495 | [5-(2-Fluoro-phenyl)-2,3-dihydro-1H...) Show SMILES Fc1ccccc1C1=NC(CNC(=O)OCc2ccccc2)CNc2ccccc12 |t:8| Show InChI InChI=1S/C24H22FN3O2/c25-21-12-6-4-10-19(21)23-20-11-5-7-13-22(20)26-14-18(28-23)15-27-24(29)30-16-17-8-2-1-3-9-17/h1-13,18,26H,14-16H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Evaluated for its concentration required for displacement of [3H]-Naloxone from opioid receptors in rat 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))	BDBM50013192 (CHEMBL140495 | [5-(2-Fluoro-phenyl)-2,3-dihydro-1H...) Show SMILES Fc1ccccc1C1=NC(CNC(=O)OCc2ccccc2)CNc2ccccc12 |t:8| Show InChI InChI=1S/C24H22FN3O2/c25-21-12-6-4-10-19(21)23-20-11-5-7-13-22(20)26-14-18(28-23)15-27-24(29)30-16-17-8-2-1-3-9-17/h1-13,18,26H,14-16H2,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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)	BDBM50013192 (CHEMBL140495 | [5-(2-Fluoro-phenyl)-2,3-dihydro-1H...) Show SMILES Fc1ccccc1C1=NC(CNC(=O)OCc2ccccc2)CNc2ccccc12 |t:8| Show InChI InChI=1S/C24H22FN3O2/c25-21-12-6-4-10-19(21)23-20-11-5-7-13-22(20)26-14-18(28-23)15-27-24(29)30-16-17-8-2-1-3-9-17/h1-13,18,26H,14-16H2,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.80E+4	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