null

SMILES: CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1C

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50567816   

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
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50567816 (CHEMBL4851708) Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1C |(16.32,-26.44,;14.96,-25.71,;13.65,-26.52,;13.7,-28.05,;12.38,-28.87,;11.02,-28.13,;10.99,-26.59,;9.63,-25.86,;8.32,-26.66,;12.3,-25.79,;12.26,-24.25,;10.94,-23.49,;9.6,-24.26,;8.1,-23.85,;7.71,-22.37,;7.01,-24.94,;10.94,-21.95,;12.26,-21.17,;13.59,-21.95,;14.93,-21.18,;16.33,-21.81,;17.37,-20.67,;16.6,-19.33,;15.09,-19.65,;18.89,-20.83,;19.51,-22.24,;21.04,-22.41,;21.95,-21.17,;23.48,-21.33,;21.32,-19.75,;19.79,-19.59,;13.59,-23.49,;14.93,-24.26,;9.6,-21.18,;8.27,-21.96,;9.6,-19.64,;10.92,-18.87,;10.92,-17.34,;9.59,-16.56,;8.26,-17.34,;8.25,-18.88,;6.92,-19.65,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50567816 (CHEMBL4851708) Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1C |(16.32,-26.44,;14.96,-25.71,;13.65,-26.52,;13.7,-28.05,;12.38,-28.87,;11.02,-28.13,;10.99,-26.59,;9.63,-25.86,;8.32,-26.66,;12.3,-25.79,;12.26,-24.25,;10.94,-23.49,;9.6,-24.26,;8.1,-23.85,;7.71,-22.37,;7.01,-24.94,;10.94,-21.95,;12.26,-21.17,;13.59,-21.95,;14.93,-21.18,;16.33,-21.81,;17.37,-20.67,;16.6,-19.33,;15.09,-19.65,;18.89,-20.83,;19.51,-22.24,;21.04,-22.41,;21.95,-21.17,;23.48,-21.33,;21.32,-19.75,;19.79,-19.59,;13.59,-23.49,;14.93,-24.26,;9.6,-21.18,;8.27,-21.96,;9.6,-19.64,;10.92,-18.87,;10.92,-17.34,;9.59,-16.56,;8.26,-17.34,;8.25,-18.88,;6.92,-19.65,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair