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SMILES: CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CC2CCC(C1)N2

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50567827   

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))	BDBM50567827 (CHEMBL4873139) Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CC2CCC(C1)N2 |TLB:33:35:42:38.39,(16.11,-27.82,;14.75,-27.09,;13.44,-27.89,;13.49,-29.43,;12.17,-30.24,;10.82,-29.51,;10.78,-27.97,;9.42,-27.23,;8.11,-28.04,;12.09,-27.16,;12.05,-25.63,;10.73,-24.87,;9.39,-25.64,;7.89,-25.23,;7.5,-23.74,;6.8,-26.32,;10.73,-23.33,;12.05,-22.55,;13.38,-23.33,;14.72,-22.55,;16.12,-23.18,;17.16,-22.04,;16.39,-20.71,;14.88,-21.02,;18.68,-22.21,;19.3,-23.62,;20.83,-23.79,;21.74,-22.54,;23.27,-22.71,;21.11,-21.13,;19.58,-20.97,;13.38,-24.87,;14.72,-25.64,;9.39,-22.56,;8.06,-23.33,;9.39,-21.02,;8.41,-20.21,;6.57,-20.21,;5.58,-21.56,;6.76,-20.84,;7.36,-19.51,;9.12,-19.47,;6.3,-18.67,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	60	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))	BDBM50567827 (CHEMBL4873139) Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CC2CCC(C1)N2 |TLB:33:35:42:38.39,(16.11,-27.82,;14.75,-27.09,;13.44,-27.89,;13.49,-29.43,;12.17,-30.24,;10.82,-29.51,;10.78,-27.97,;9.42,-27.23,;8.11,-28.04,;12.09,-27.16,;12.05,-25.63,;10.73,-24.87,;9.39,-25.64,;7.89,-25.23,;7.5,-23.74,;6.8,-26.32,;10.73,-23.33,;12.05,-22.55,;13.38,-23.33,;14.72,-22.55,;16.12,-23.18,;17.16,-22.04,;16.39,-20.71,;14.88,-21.02,;18.68,-22.21,;19.3,-23.62,;20.83,-23.79,;21.74,-22.54,;23.27,-22.71,;21.11,-21.13,;19.58,-20.97,;13.38,-24.87,;14.72,-25.64,;9.39,-22.56,;8.06,-23.33,;9.39,-21.02,;8.41,-20.21,;6.57,-20.21,;5.58,-21.56,;6.76,-20.84,;7.36,-19.51,;9.12,-19.47,;6.3,-18.67,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair