BDBM212645 BDBM212750::US9278954, 1.36

SMILES: CC(C(=O)NCC(F)F)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(C)O)c2Cl)cc1

InChI Key: InChIKey=RSUXEXZLONGJBF-FBMWCMRBSA-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 = 212645   

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))	BDBM212645 (BDBM212750 | US9278954, 1.36) Show SMILES CC(C(=O)NCC(F)F)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(C)O)c2Cl)cc1 |r| Show InChI InChI=1S/C23H29ClF2N4O4/c1-14(21(31)27-10-18(25)26)15-4-6-16(7-5-15)34-17-8-9-30(11-17)20-19(24)22(29-13-28-20)33-12-23(2,3)32/h4-7,13-14,17-18,32H,8-12H2,1-3H3,(H,27,31)/t14?,17-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	413	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))	BDBM212645 (BDBM212750 | US9278954, 1.36) Show SMILES CC(C(=O)NCC(F)F)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(C)O)c2Cl)cc1 |r| Show InChI InChI=1S/C23H29ClF2N4O4/c1-14(21(31)27-10-18(25)26)15-4-6-16(7-5-15)34-17-8-9-30(11-17)20-19(24)22(29-13-28-20)33-12-23(2,3)32/h4-7,13-14,17-18,32H,8-12H2,1-3H3,(H,27,31)/t14?,17-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	872	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))	BDBM212645 (BDBM212750 | US9278954, 1.36) Show SMILES CC(C(=O)NCC(F)F)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(C)O)c2Cl)cc1 |r| Show InChI InChI=1S/C23H29ClF2N4O4/c1-14(21(31)27-10-18(25)26)15-4-6-16(7-5-15)34-17-8-9-30(11-17)20-19(24)22(29-13-28-20)33-12-23(2,3)32/h4-7,13-14,17-18,32H,8-12H2,1-3H3,(H,27,31)/t14?,17-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	135	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