BDBM50172381 2,2-Dimethyl-2H-chromene-6-carboxylic acid 3,4,5-trimethoxy-benzyl ester::CHEMBL370213

SMILES: COc1cc(COC(=O)c2ccc3OC(C)(C)C=Cc3c2)cc(OC)c1OC

InChI Key: InChIKey=KGQMIJVIIHJLMD-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 = 50172381   

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
NADH-ubiquinone oxidoreductase MLRQ subunit (Homo sapiens (Human))	BDBM50172381 (2,2-Dimethyl-2H-chromene-6-carboxylic acid 3,4,5-t...) Show SMILES COc1cc(COC(=O)c2ccc3OC(C)(C)C=Cc3c2)cc(OC)c1OC |c:17| Show InChI InChI=1S/C22H24O6/c1-22(2)9-8-15-12-16(6-7-17(15)28-22)21(23)27-13-14-10-18(24-3)20(26-5)19(11-14)25-4/h6-12H,13H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against NADH-ubiquinone oxidoreductase				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
					More data for this Ligand-Target Pair
NADH-ubiquinone oxidoreductase MLRQ subunit (Homo sapiens (Human))	BDBM50172381 (2,2-Dimethyl-2H-chromene-6-carboxylic acid 3,4,5-t...) Show SMILES COc1cc(COC(=O)c2ccc3OC(C)(C)C=Cc3c2)cc(OC)c1OC |c:17| Show InChI InChI=1S/C22H24O6/c1-22(2)9-8-15-12-16(6-7-17(15)28-22)21(23)27-13-14-10-18(24-3)20(26-5)19(11-14)25-4/h6-12H,13H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against NADH ubiquinone oxidoreductase				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
					More data for this Ligand-Target Pair