BDBM50029465 CHEMBL3343445

SMILES: Cc1cc(Cc2cccc(O)c2)n(O)c(=O)c1

InChI Key: InChIKey=BJEQVSSLHUOXSE-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50029465   

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))	BDBM50029465 (CHEMBL3343445) Show SMILES Cc1cc(Cc2cccc(O)c2)n(O)c(=O)c1 Show InChI InChI=1S/C13H13NO3/c1-9-5-11(14(17)13(16)6-9)7-10-3-2-4-12(15)8-10/h2-6,8,15,17H,7H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption				J Med Chem 57: 8307-18 (2014) Article DOI: 10.1021/jm500660f BindingDB Entry DOI: 10.7270/Q23J3FJR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50029465 (CHEMBL3343445) Show SMILES Cc1cc(Cc2cccc(O)c2)n(O)c(=O)c1 Show InChI InChI=1S/C13H13NO3/c1-9-5-11(14(17)13(16)6-9)7-10-3-2-4-12(15)8-10/h2-6,8,15,17H,7H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of human IDH1 R132C mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption				J Med Chem 57: 8307-18 (2014) Article DOI: 10.1021/jm500660f BindingDB Entry DOI: 10.7270/Q23J3FJR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50029465 (CHEMBL3343445) Show SMILES Cc1cc(Cc2cccc(O)c2)n(O)c(=O)c1 Show InChI InChI=1S/C13H13NO3/c1-9-5-11(14(17)13(16)6-9)7-10-3-2-4-12(15)8-10/h2-6,8,15,17H,7H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of wild type human IDH1 expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption				J Med Chem 57: 8307-18 (2014) Article DOI: 10.1021/jm500660f BindingDB Entry DOI: 10.7270/Q23J3FJR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50029465 (CHEMBL3343445) Show SMILES Cc1cc(Cc2cccc(O)c2)n(O)c(=O)c1 Show InChI InChI=1S/C13H13NO3/c1-9-5-11(14(17)13(16)6-9)7-10-3-2-4-12(15)8-10/h2-6,8,15,17H,7H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in D2HG production incubated for 48 hrs by HPLC-MS method				J Med Chem 57: 8307-18 (2014) Article DOI: 10.1021/jm500660f BindingDB Entry DOI: 10.7270/Q23J3FJR
					More data for this Ligand-Target Pair