BDBM50198336 CHEMBL3941344

SMILES: C[C@@H](NC(C)=O)c1nc(no1)-c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1

InChI Key: InChIKey=KWSDTWPYMWIEPR-MRXNPFEDSA-N

Data: 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 1 hit for monomerid = 50198336   

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
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50198336 (CHEMBL3941344) Show SMILES C[C@@H](NC(C)=O)c1nc(no1)-c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C24H21N3O4/c1-16(25-17(2)28)24-26-23(27-31-24)18-8-10-20(11-9-18)30-22-14-12-21(13-15-22)29-19-6-4-3-5-7-19/h3-16H,1-2H3,(H,25,28)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human ACC2 expressed in baculovirus infected sf9 cells using acetyl-CoA as substrate afte...				Bioorg Med Chem 24: 5258-5269 (2016) Article DOI: 10.1016/j.bmc.2016.08.045 BindingDB Entry DOI: 10.7270/Q2S46TXF
					More data for this Ligand-Target Pair