BDBM212754 US9278954, 6.8 isomer 1::US9278954, 6.8 isomer 2::US9278954, 7.34

SMILES: CCCOc1ccc(cc1)N1CC[C@H](C1)Oc1ccc(cc1)C(C)C(=O)NCC

InChI Key: InChIKey=FZSCBLOZHIFZOA-WBPHRXDCSA-N

Data: 3 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 3 hits for monomerid = 212754   

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))	BDBM212754 (US9278954, 6.8 isomer 1 | US9278954, 6.8 isomer 2 ...) Show SMILES CCCOc1ccc(cc1)N1CC[C@H](C1)Oc1ccc(cc1)C(C)C(=O)NCC |r| Show InChI InChI=1S/C24H32N2O3/c1-4-16-28-21-12-8-20(9-13-21)26-15-14-23(17-26)29-22-10-6-19(7-11-22)18(3)24(27)25-5-2/h6-13,18,23H,4-5,14-17H2,1-3H3,(H,25,27)/t18?,23-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	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 US9278954 (2016) BindingDB Entry DOI: 10.7270/Q2RB73FM
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM212754 (US9278954, 6.8 isomer 1 | US9278954, 6.8 isomer 2 ...) Show SMILES CCCOc1ccc(cc1)N1CC[C@H](C1)Oc1ccc(cc1)C(C)C(=O)NCC |r| Show InChI InChI=1S/C24H32N2O3/c1-4-16-28-21-12-8-20(9-13-21)26-15-14-23(17-26)29-22-10-6-19(7-11-22)18(3)24(27)25-5-2/h6-13,18,23H,4-5,14-17H2,1-3H3,(H,25,27)/t18?,23-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	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 US9278954 (2016) BindingDB Entry DOI: 10.7270/Q2RB73FM
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM212754 (US9278954, 6.8 isomer 1 | US9278954, 6.8 isomer 2 ...) Show SMILES CCCOc1ccc(cc1)N1CC[C@H](C1)Oc1ccc(cc1)C(C)C(=O)NCC |r| Show InChI InChI=1S/C24H32N2O3/c1-4-16-28-21-12-8-20(9-13-21)26-15-14-23(17-26)29-22-10-6-19(7-11-22)18(3)24(27)25-5-2/h6-13,18,23H,4-5,14-17H2,1-3H3,(H,25,27)/t18?,23-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	789	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 US9278954 (2016) BindingDB Entry DOI: 10.7270/Q2RB73FM
					More data for this Ligand-Target Pair