BDBM138841 US8877741, 5.6

SMILES: CCCNc1nccc(N2CCC(C2)Oc2ccc(cc2)[C@H](C)NC(=O)N(C)C)c1F

InChI Key: InChIKey=RNPRIFLSHARCKU-UCFFOFKASA-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 = 138841   

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))	BDBM138841 (US8877741, 5.6) Show SMILES CCCNc1nccc(N2CCC(C2)Oc2ccc(cc2)[C@H](C)NC(=O)N(C)C)c1F |r| Show InChI InChI=1S/C23H32FN5O2/c1-5-12-25-22-21(24)20(10-13-26-22)29-14-11-19(15-29)31-18-8-6-17(7-9-18)16(2)27-23(30)28(3)4/h6-10,13,16,19H,5,11-12,14-15H2,1-4H3,(H,25,26)(H,27,30)/t16-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
					More data for this Ligand-Target Pair