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

InChI Key: InChIKey=XMPJUBVBMBXTLP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50290399   

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
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50290399 (3-{3-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-et...) Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)C(O)=O)N=C2c1ccccc1F |c:40,(-1.23,-7.79,;-1.21,-9.34,;-2.54,-10.13,;-2.54,-11.67,;-1.21,-12.44,;.15,-11.67,;.15,-10.11,;1.28,-9.08,;.64,-7.66,;1.54,-6.42,;3.08,-6.56,;.89,-5,;-.62,-4.97,;-1.54,-3.74,;-.07,-4.14,;.15,-2.62,;1.59,-2.31,;.22,-1.59,;-1.17,-2.25,;1.91,-3.81,;2.85,-9.48,;3.8,-8.27,;3.52,-10.88,;4.86,-10.09,;6.21,-10.83,;6.21,-12.37,;7.54,-10.06,;9.08,-10.06,;9.83,-11.39,;11.35,-11.39,;12.12,-10.06,;11.35,-8.73,;9.81,-8.75,;12.12,-7.4,;13.66,-7.38,;11.32,-6.07,;2.85,-12.28,;1.36,-12.61,;1.03,-14.11,;-.46,-14.59,;-.81,-16.11,;.35,-17.16,;1.83,-16.67,;2.17,-15.17,;3.62,-14.68,)| Show InChI InChI=1S/C34H34FN5O5/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-31(38-34(45)36-24-8-5-7-23(16-24)33(43)44)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,(H,43,44)(H2,36,38,45)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.960	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 type A (RAT)	BDBM50290399 (3-{3-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-et...) Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)C(O)=O)N=C2c1ccccc1F |c:40,(-1.23,-7.79,;-1.21,-9.34,;-2.54,-10.13,;-2.54,-11.67,;-1.21,-12.44,;.15,-11.67,;.15,-10.11,;1.28,-9.08,;.64,-7.66,;1.54,-6.42,;3.08,-6.56,;.89,-5,;-.62,-4.97,;-1.54,-3.74,;-.07,-4.14,;.15,-2.62,;1.59,-2.31,;.22,-1.59,;-1.17,-2.25,;1.91,-3.81,;2.85,-9.48,;3.8,-8.27,;3.52,-10.88,;4.86,-10.09,;6.21,-10.83,;6.21,-12.37,;7.54,-10.06,;9.08,-10.06,;9.83,-11.39,;11.35,-11.39,;12.12,-10.06,;11.35,-8.73,;9.81,-8.75,;12.12,-7.4,;13.66,-7.38,;11.32,-6.07,;2.85,-12.28,;1.36,-12.61,;1.03,-14.11,;-.46,-14.59,;-.81,-16.11,;.35,-17.16,;1.83,-16.67,;2.17,-15.17,;3.62,-14.68,)| Show InChI InChI=1S/C34H34FN5O5/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-31(38-34(45)36-24-8-5-7-23(16-24)33(43)44)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,(H,43,44)(H2,36,38,45)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	160	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