null

SMILES: CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1C2CCC1CNC2

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50567828   

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))	BDBM50567828 (CHEMBL4854924) Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1C2CCC1CNC2 |THB:33:35:41.42.40:37.38,(15.96,-41.01,;14.6,-40.28,;13.29,-41.09,;13.34,-42.62,;12.02,-43.43,;10.67,-42.7,;10.63,-41.16,;9.27,-40.42,;7.96,-41.23,;11.94,-40.36,;11.9,-38.82,;10.58,-38.06,;9.25,-38.83,;7.75,-38.42,;7.35,-36.93,;6.65,-39.51,;10.58,-36.52,;11.91,-35.74,;13.24,-36.52,;14.57,-35.74,;15.97,-36.37,;17.01,-35.23,;16.24,-33.9,;14.73,-34.21,;18.53,-35.4,;19.15,-36.81,;20.68,-36.98,;21.59,-35.73,;23.12,-35.9,;20.96,-34.32,;19.43,-34.16,;13.24,-38.06,;14.57,-38.83,;9.24,-35.75,;7.91,-36.52,;9.24,-34.21,;8.46,-32.85,;8.93,-31.25,;8.06,-32.33,;7.96,-33.79,;6.32,-34.43,;5.54,-33.07,;6.74,-33.49,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	47	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))	BDBM50567828 (CHEMBL4854924) Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1C2CCC1CNC2 |THB:33:35:41.42.40:37.38,(15.96,-41.01,;14.6,-40.28,;13.29,-41.09,;13.34,-42.62,;12.02,-43.43,;10.67,-42.7,;10.63,-41.16,;9.27,-40.42,;7.96,-41.23,;11.94,-40.36,;11.9,-38.82,;10.58,-38.06,;9.25,-38.83,;7.75,-38.42,;7.35,-36.93,;6.65,-39.51,;10.58,-36.52,;11.91,-35.74,;13.24,-36.52,;14.57,-35.74,;15.97,-36.37,;17.01,-35.23,;16.24,-33.9,;14.73,-34.21,;18.53,-35.4,;19.15,-36.81,;20.68,-36.98,;21.59,-35.73,;23.12,-35.9,;20.96,-34.32,;19.43,-34.16,;13.24,-38.06,;14.57,-38.83,;9.24,-35.75,;7.91,-36.52,;9.24,-34.21,;8.46,-32.85,;8.93,-31.25,;8.06,-32.33,;7.96,-33.79,;6.32,-34.43,;5.54,-33.07,;6.74,-33.49,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair