BDBM50508251 CHEMBL4471506

SMILES: Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccc(F)cc23)c2cccnc12

InChI Key: InChIKey=FTWZOZLWTAXHNG-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50508251   

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))	BDBM50508251 (CHEMBL4471506) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccc(F)cc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20FN7O2/c1-31-23-16(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-6-5-15(26)12-17(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029
					More data for this Ligand-Target Pair