BDBM50020271 (RS)-[3-[3-(4-Chloro-phenyl)-ureido]-5-(2-fluoro-phenyl)-2-oxo-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-acetic acid ethyl ester::CHEMBL417521

SMILES: CCOC(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1F

InChI Key: InChIKey=LEAKDRUEDMNHQD-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50020271   

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))	BDBM50020271 ((RS)-[3-[3-(4-Chloro-phenyl)-ureido]-5-(2-fluoro-p...) Show SMILES CCOC(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1F |c:14| Show InChI InChI=1S/C26H22ClFN4O4/c1-2-36-22(33)15-32-21-10-6-4-8-19(21)23(18-7-3-5-9-20(18)28)30-24(25(32)34)31-26(35)29-17-13-11-16(27)12-14-17/h3-14,24H,2,15H2,1H3,(H2,29,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125 I] CCK-8 from Cholecystokinin type B receptor of guinea pig cerebral cortex				J Med Chem 32: 13-6 (1989) BindingDB Entry DOI: 10.7270/Q2MC90MG
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50020271 ((RS)-[3-[3-(4-Chloro-phenyl)-ureido]-5-(2-fluoro-p...) Show SMILES CCOC(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1F |c:14| Show InChI InChI=1S/C26H22ClFN4O4/c1-2-36-22(33)15-32-21-10-6-4-8-19(21)23(18-7-3-5-9-20(18)28)30-24(25(32)34)31-26(35)29-17-13-11-16(27)12-14-17/h3-14,24H,2,15H2,1H3,(H2,29,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	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 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))	BDBM50020271 ((RS)-[3-[3-(4-Chloro-phenyl)-ureido]-5-(2-fluoro-p...) Show SMILES CCOC(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1F |c:14| Show InChI InChI=1S/C26H22ClFN4O4/c1-2-36-22(33)15-32-21-10-6-4-8-19(21)23(18-7-3-5-9-20(18)28)30-24(25(32)34)31-26(35)29-17-13-11-16(27)12-14-17/h3-14,24H,2,15H2,1H3,(H2,29,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of 125 I-gastrin from gastrin receptor of guinea pig gastric glands				J Med Chem 32: 13-6 (1989) BindingDB Entry DOI: 10.7270/Q2MC90MG
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50020271 ((RS)-[3-[3-(4-Chloro-phenyl)-ureido]-5-(2-fluoro-p...) Show SMILES CCOC(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1F |c:14| Show InChI InChI=1S/C26H22ClFN4O4/c1-2-36-22(33)15-32-21-10-6-4-8-19(21)23(18-7-3-5-9-20(18)28)30-24(25(32)34)31-26(35)29-17-13-11-16(27)12-14-17/h3-14,24H,2,15H2,1H3,(H2,29,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125 I] CCK-8 from Cholecystokinin type A receptor of rat pancreas				J Med Chem 32: 13-6 (1989) BindingDB Entry DOI: 10.7270/Q2MC90MG
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50020271 ((RS)-[3-[3-(4-Chloro-phenyl)-ureido]-5-(2-fluoro-p...) Show SMILES CCOC(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1F |c:14| Show InChI InChI=1S/C26H22ClFN4O4/c1-2-36-22(33)15-32-21-10-6-4-8-19(21)23(18-7-3-5-9-20(18)28)30-24(25(32)34)31-26(35)29-17-13-11-16(27)12-14-17/h3-14,24H,2,15H2,1H3,(H2,29,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20	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