BDBM50503251 AG-221::Ag 221::CC-90007 Free Base::Enasidenib::US10946023, Compound 288

SMILES: CC(C)(O)CNc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F

InChI Key: InChIKey=DYLUUSLLRIQKOE-UHFFFAOYSA-N

Data: 26 IC50  6 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 50503251   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Isocitrate dehydrogenase [NADP], mitochondrial (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	100	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 (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	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 (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	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 (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	>4.00E+5	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 (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	>4.00E+5	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 (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.40E+4	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 (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.20E+4	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 (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.38E+4	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 (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+4	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], mitochondrial (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.80E+3	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], mitochondrial (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	179	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], mitochondrial (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	438	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], mitochondrial (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.65E+4	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], mitochondrial (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11	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 (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	677	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], mitochondrial (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9	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 (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	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], mitochondrial [R140Q] (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	550	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], mitochondrial (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	340	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], mitochondrial (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	362	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], mitochondrial (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	262	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 (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.95E+3	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], mitochondrial (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9	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 (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	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 (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	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 [R132H] (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	550	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], mitochondrial (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	310	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], mitochondrial (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	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], mitochondrial (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.08E+3	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], mitochondrial (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	36	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], mitochondrial (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	124	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], mitochondrial (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	269	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], mitochondrial (Human)	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	319	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair