BDBM50290394 1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl]-5-(2-fluoro-phenyl)-9-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-(3-chloro-phenyl)-urea::CHEMBL48563

SMILES: Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(Cl)c1)N=C2c1ccccc1F

InChI Key: InChIKey=XGNSCLPBNHJBDO-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 = 50290394   

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))	BDBM50290394 (1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...) Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(Cl)c1)N=C2c1ccccc1F |c:38,(-2.3,-7.31,;-2.28,-8.86,;-3.61,-9.64,;-3.61,-11.2,;-2.28,-11.97,;-.93,-11.18,;-.93,-9.63,;.21,-8.61,;-.44,-7.18,;.47,-5.93,;2.01,-6.09,;-.18,-4.53,;.84,-3.34,;.52,-1.83,;-.86,-1.13,;-2.24,-1.77,;-2.61,-3.26,;-1.14,-3.66,;-.93,-2.15,;-1.69,-4.49,;1.78,-9.01,;2.73,-7.8,;2.46,-10.4,;3.79,-9.62,;5.14,-10.36,;5.14,-11.9,;6.46,-9.59,;8,-9.59,;8.75,-10.91,;10.27,-10.91,;11.04,-9.59,;10.27,-8.24,;11.04,-6.93,;8.73,-8.26,;1.78,-11.8,;.29,-12.13,;-.05,-13.63,;-1.53,-14.12,;-1.88,-15.63,;-.72,-16.68,;.75,-16.19,;1.1,-14.69,;2.55,-14.21,)| Show InChI InChI=1S/C33H33ClFN5O3/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-31(38-33(43)36-24-8-5-7-23(34)16-24)32(42)40(30(20)26)19-28(41)39-17-21-12-13-22(18-39)15-14-21/h2-11,16,21-22,31H,12-15,17-19H2,1H3,(H2,36,38,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes				Bioorg Med Chem Lett 7: 169-174 (1997) Article DOI: 10.1016/S0960-894X(96)00609-9 BindingDB Entry DOI: 10.7270/Q27M07ZF
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50290394 (1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...) Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(Cl)c1)N=C2c1ccccc1F |c:38,(-2.3,-7.31,;-2.28,-8.86,;-3.61,-9.64,;-3.61,-11.2,;-2.28,-11.97,;-.93,-11.18,;-.93,-9.63,;.21,-8.61,;-.44,-7.18,;.47,-5.93,;2.01,-6.09,;-.18,-4.53,;.84,-3.34,;.52,-1.83,;-.86,-1.13,;-2.24,-1.77,;-2.61,-3.26,;-1.14,-3.66,;-.93,-2.15,;-1.69,-4.49,;1.78,-9.01,;2.73,-7.8,;2.46,-10.4,;3.79,-9.62,;5.14,-10.36,;5.14,-11.9,;6.46,-9.59,;8,-9.59,;8.75,-10.91,;10.27,-10.91,;11.04,-9.59,;10.27,-8.24,;11.04,-6.93,;8.73,-8.26,;1.78,-11.8,;.29,-12.13,;-.05,-13.63,;-1.53,-14.12,;-1.88,-15.63,;-.72,-16.68,;.75,-16.19,;1.1,-14.69,;2.55,-14.21,)| Show InChI InChI=1S/C33H33ClFN5O3/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-31(38-33(43)36-24-8-5-7-23(34)16-24)32(42)40(30(20)26)19-28(41)39-17-21-12-13-22(18-39)15-14-21/h2-11,16,21-22,31H,12-15,17-19H2,1H3,(H2,36,38,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type A receptor of rat pancreatic membranes				Bioorg Med Chem Lett 7: 169-174 (1997) Article DOI: 10.1016/S0960-894X(96)00609-9 BindingDB Entry DOI: 10.7270/Q27M07ZF
					More data for this Ligand-Target Pair