null

SMILES: CC(C(=O)NC1CC1C)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C)cc1

InChI Key: InChIKey=GXKYUGCEZDXWKO-IEMWXTKNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 212615   

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 [129-967] (Homo sapiens (Human))	BDBM212615 (BDBM212741 | US9278954, 1.6 | US9278954, 1.9) Show SMILES CC(C(=O)NC1CC1C)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C)cc1 |r| Show InChI InChI=1S/C23H30FN5O2/c1-14-11-20(14)26-22(30)15(2)16-5-7-17(8-6-16)31-18-9-10-29(13-18)21-19(24)12-25-23(27-21)28(3)4/h5-8,12,14-15,18,20H,9-11,13H2,1-4H3,(H,26,30)/t14?,15?,18-,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	140	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 [129-967] (Homo sapiens (Human))	BDBM212615 (BDBM212741 | US9278954, 1.6 | US9278954, 1.9) Show SMILES CC(C(=O)NC1CC1C)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C)cc1 |r| Show InChI InChI=1S/C23H30FN5O2/c1-14-11-20(14)26-22(30)15(2)16-5-7-17(8-6-16)31-18-9-10-29(13-18)21-19(24)12-25-23(27-21)28(3)4/h5-8,12,14-15,18,20H,9-11,13H2,1-4H3,(H,26,30)/t14?,15?,18-,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	195	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 [129-967] (Homo sapiens (Human))	BDBM212615 (BDBM212741 | US9278954, 1.6 | US9278954, 1.9) Show SMILES CC(C(=O)NC1CC1C)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C)cc1 |r| Show InChI InChI=1S/C23H30FN5O2/c1-14-11-20(14)26-22(30)15(2)16-5-7-17(8-6-16)31-18-9-10-29(13-18)21-19(24)12-25-23(27-21)28(3)4/h5-8,12,14-15,18,20H,9-11,13H2,1-4H3,(H,26,30)/t14?,15?,18-,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.48E+3	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 [129-967] (Homo sapiens (Human))	BDBM212615 (BDBM212741 | US9278954, 1.6 | US9278954, 1.9) Show SMILES CC(C(=O)NC1CC1C)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C)cc1 |r| Show InChI InChI=1S/C23H30FN5O2/c1-14-11-20(14)26-22(30)15(2)16-5-7-17(8-6-16)31-18-9-10-29(13-18)21-19(24)12-25-23(27-21)28(3)4/h5-8,12,14-15,18,20H,9-11,13H2,1-4H3,(H,26,30)/t14?,15?,18-,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	177	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 [129-967] (Homo sapiens (Human))	BDBM212615 (BDBM212741 | US9278954, 1.6 | US9278954, 1.9) Show SMILES CC(C(=O)NC1CC1C)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C)cc1 |r| Show InChI InChI=1S/C23H30FN5O2/c1-14-11-20(14)26-22(30)15(2)16-5-7-17(8-6-16)31-18-9-10-29(13-18)21-19(24)12-25-23(27-21)28(3)4/h5-8,12,14-15,18,20H,9-11,13H2,1-4H3,(H,26,30)/t14?,15?,18-,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	219	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 [129-967] (Homo sapiens (Human))	BDBM212615 (BDBM212741 | US9278954, 1.6 | US9278954, 1.9) Show SMILES CC(C(=O)NC1CC1C)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C)cc1 |r| Show InChI InChI=1S/C23H30FN5O2/c1-14-11-20(14)26-22(30)15(2)16-5-7-17(8-6-16)31-18-9-10-29(13-18)21-19(24)12-25-23(27-21)28(3)4/h5-8,12,14-15,18,20H,9-11,13H2,1-4H3,(H,26,30)/t14?,15?,18-,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	86	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