BDBM102055 US8530460, 6.1

SMILES: C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ncc(cn2)-c2ccc(F)cc2)cc1

InChI Key: InChIKey=MSRACBIPRQYUFE-HNNXBMFYSA-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 = 102055   

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))	BDBM102055 (US8530460, 6.1) Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ncc(cn2)-c2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C23H23FN4O2/c1-15(27-16(2)29)17-5-9-21(10-6-17)30-22-13-28(14-22)23-25-11-19(12-26-23)18-3-7-20(24)8-4-18/h3-12,15,22H,13-14H2,1-2H3,(H,27,29)/t15-/m0/s1	PDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).				US Patent US8530460 (2013) BindingDB Entry DOI: 10.7270/Q2X34W3N
					More data for this Ligand-Target Pair