BDBM50509551 CHEMBL4448857

SMILES: CC(C)Nc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F

InChI Key: InChIKey=DWIQMUBNZXFUDC-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50509551   

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 2 (IDH2) (Homo sapiens (Human))	BDBM50509551 (CHEMBL4448857) Show SMILES CC(C)Nc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C18H15F6N7/c1-9(2)26-15-29-14(11-4-3-5-12(28-11)17(19,20)21)30-16(31-15)27-10-6-7-25-13(8-10)18(22,23)24/h3-9H,1-2H3,(H2,25,26,27,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal His6 tagged IDH2 R140Q mutant (1 to 452 residues) (unknown origin) homodimer expressed in Sf9 cells assessed as ...				ACS Med Chem Lett 11: 101-107 (2020) Article DOI: 10.1021/acsmedchemlett.9b00509
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50509551 (CHEMBL4448857) Show SMILES CC(C)Nc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C18H15F6N7/c1-9(2)26-15-29-14(11-4-3-5-12(28-11)17(19,20)21)30-16(31-15)27-10-6-7-25-13(8-10)18(22,23)24/h3-9H,1-2H3,(H2,25,26,27,29,30,31)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His8 tagged IDH1 R132H mutant (1 to 414 residues) (unknown origin) homodimer expressed in Escherichia coli BE3 c...				ACS Med Chem Lett 11: 101-107 (2020) Article DOI: 10.1021/acsmedchemlett.9b00509
					More data for this Ligand-Target Pair