BDBM50013190 CHEMBL342256::[1-{[5-(2-Fluoro-phenyl)-1-methyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-ylmethyl]-carbamoyl}-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester

SMILES: CN1C(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CN=C(c2ccccc2F)c2ccccc12

InChI Key: InChIKey=POQAFSKCCQVOAP-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 = 50013190   

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)	BDBM50013190 (CHEMBL342256 | [1-{[5-(2-Fluoro-phenyl)-1-methyl-2...) Show SMILES CN1C(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CN=C(c2ccccc2F)c2ccccc12 |t:29| Show InChI InChI=1S/C33H36FN5O3/c1-33(2,3)42-32(41)38-28(17-21-18-35-27-15-9-6-11-23(21)27)31(40)37-20-22-19-36-30(24-12-5-8-14-26(24)34)25-13-7-10-16-29(25)39(22)4/h5-16,18,22,28,35H,17,19-20H2,1-4H3,(H,37,40)(H,38,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.10E+3	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
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50013190 (CHEMBL342256 | [1-{[5-(2-Fluoro-phenyl)-1-methyl-2...) Show SMILES CN1C(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CN=C(c2ccccc2F)c2ccccc12 |t:29| Show InChI InChI=1S/C33H36FN5O3/c1-33(2,3)42-32(41)38-28(17-21-18-35-27-15-9-6-11-23(21)27)31(40)37-20-22-19-36-30(24-12-5-8-14-26(24)34)25-13-7-10-16-29(25)39(22)4/h5-16,18,22,28,35H,17,19-20H2,1-4H3,(H,37,40)(H,38,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.86E+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 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