BDBM101985 US8530460, 2.2

SMILES: C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc(OCC3CC3)cc2F)cc1

InChI Key: InChIKey=XZRJAPLYDLVTAQ-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 = 101985   

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.v2) (Homo sapiens (Human))	BDBM101985 (US8530460, 2.2) Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc(OCC3CC3)cc2F)cc1 |r| Show InChI InChI=1S/C23H27FN2O3/c1-15(25-16(2)27)18-5-7-19(8-6-18)29-21-12-26(13-21)23-10-9-20(11-22(23)24)28-14-17-3-4-17/h5-11,15,17,21H,3-4,12-14H2,1-2H3,(H,25,27)/t15-/m0/s1	PDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60	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