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SMILES: CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50567808   

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))	BDBM50567808 (CHEMBL4860083) Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(34.78,-41.41,;33.43,-40.68,;32.11,-41.49,;32.16,-43.02,;30.84,-43.84,;29.49,-43.1,;29.45,-41.56,;28.1,-40.83,;26.78,-41.63,;30.77,-40.76,;30.73,-39.22,;29.4,-38.46,;28.07,-39.23,;26.57,-38.83,;26.17,-37.34,;25.48,-39.91,;29.4,-36.92,;30.73,-36.14,;32.06,-36.92,;33.39,-36.15,;34.8,-36.78,;35.83,-35.64,;35.06,-34.3,;33.56,-34.62,;37.35,-35.8,;37.97,-37.22,;39.5,-37.38,;40.41,-36.14,;41.94,-36.3,;39.78,-34.72,;38.26,-34.56,;32.06,-38.46,;33.39,-39.23,;28.06,-36.15,;26.73,-36.93,;28.06,-34.61,;29.39,-33.84,;29.39,-32.31,;28.06,-31.54,;26.72,-32.31,;26.72,-33.85,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	58	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))	BDBM50567808 (CHEMBL4860083) Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(34.78,-41.41,;33.43,-40.68,;32.11,-41.49,;32.16,-43.02,;30.84,-43.84,;29.49,-43.1,;29.45,-41.56,;28.1,-40.83,;26.78,-41.63,;30.77,-40.76,;30.73,-39.22,;29.4,-38.46,;28.07,-39.23,;26.57,-38.83,;26.17,-37.34,;25.48,-39.91,;29.4,-36.92,;30.73,-36.14,;32.06,-36.92,;33.39,-36.15,;34.8,-36.78,;35.83,-35.64,;35.06,-34.3,;33.56,-34.62,;37.35,-35.8,;37.97,-37.22,;39.5,-37.38,;40.41,-36.14,;41.94,-36.3,;39.78,-34.72,;38.26,-34.56,;32.06,-38.46,;33.39,-39.23,;28.06,-36.15,;26.73,-36.93,;28.06,-34.61,;29.39,-33.84,;29.39,-32.31,;28.06,-31.54,;26.72,-32.31,;26.72,-33.85,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair