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SMILES: CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(CO)C1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50567820   

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))	BDBM50567820 (CHEMBL4858156) Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(CO)C1 |(39.34,-43.55,;37.98,-42.82,;36.67,-43.63,;36.72,-45.16,;35.4,-45.98,;34.05,-45.24,;34.01,-43.7,;32.65,-42.97,;31.34,-43.77,;35.32,-42.9,;35.28,-41.36,;33.96,-40.6,;32.62,-41.37,;31.13,-40.97,;30.73,-39.48,;30.03,-42.05,;33.96,-39.06,;35.29,-38.28,;36.62,-39.06,;37.95,-38.29,;39.35,-38.92,;40.39,-37.78,;39.62,-36.44,;38.11,-36.76,;41.91,-37.94,;42.53,-39.35,;44.06,-39.52,;44.97,-38.28,;46.5,-38.44,;44.34,-36.86,;42.81,-36.7,;36.62,-40.6,;37.95,-41.37,;32.62,-38.29,;31.29,-39.07,;32.62,-36.75,;33.95,-35.98,;33.95,-34.45,;32.61,-33.68,;31.28,-34.45,;29.95,-33.68,;29.95,-32.14,;31.28,-35.99,)| 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))	BDBM50567820 (CHEMBL4858156) Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(CO)C1 |(39.34,-43.55,;37.98,-42.82,;36.67,-43.63,;36.72,-45.16,;35.4,-45.98,;34.05,-45.24,;34.01,-43.7,;32.65,-42.97,;31.34,-43.77,;35.32,-42.9,;35.28,-41.36,;33.96,-40.6,;32.62,-41.37,;31.13,-40.97,;30.73,-39.48,;30.03,-42.05,;33.96,-39.06,;35.29,-38.28,;36.62,-39.06,;37.95,-38.29,;39.35,-38.92,;40.39,-37.78,;39.62,-36.44,;38.11,-36.76,;41.91,-37.94,;42.53,-39.35,;44.06,-39.52,;44.97,-38.28,;46.5,-38.44,;44.34,-36.86,;42.81,-36.7,;36.62,-40.6,;37.95,-41.37,;32.62,-38.29,;31.29,-39.07,;32.62,-36.75,;33.95,-35.98,;33.95,-34.45,;32.61,-33.68,;31.28,-34.45,;29.95,-33.68,;29.95,-32.14,;31.28,-35.99,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair