Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 1 [39-967]' AND taxid = 9606   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetyl-CoA carboxylase 1 [39-967] (Homo sapiens (Human))	BDBM196504 (US9212140, C.1) Show SMILES CO[C@H]1CC[C@]2(CC1)NC(=O)C(=C2)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:5.8,2.1,c:12,(-7.43,1.12,;-6.34,.03,;-4.85,.43,;-4.45,1.92,;-2.96,2.32,;-1.87,1.23,;-2.27,-.26,;-3.76,-.66,;-1.87,2.77,;-.41,3.25,;.36,4.58,;.5,2,;-.41,.75,;2.04,2,;2.81,.67,;4.35,.67,;5.12,2,;4.35,3.33,;2.81,3.33,;2.04,4.67,;5.12,-.67,;4.35,-2,;5.12,-3.33,;6.66,-3.33,;7.43,-4.67,;7.43,-2,;6.66,-.67,)| Show InChI InChI=1S/C23H24ClNO2/c1-15-3-4-17(16-5-7-18(24)8-6-16)13-20(15)21-14-23(25-22(21)26)11-9-19(27-2)10-12-23/h3-8,13-14,19H,9-12H2,1-2H3,(H,25,26)/t19-,23+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	84	n/a	n/a	n/a	n/a	7.5	22
Bayer Intellectual Property GmbH US Patent					Assay Description Assay B1 (=(B1)): The hACC1-inhibitory action of the substances of the present invention was measured in the hACC 1 assay described in the paragraphs...				US Patent US9212140 (2015) BindingDB Entry DOI: 10.7270/Q22Z14BD
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-967] (Homo sapiens (Human))	BDBM196503 (US9212140, A) Show SMILES CO[C@H]1CC[C@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:5.8,2.1,c:12,(-8.09,-.31,;-6.75,-1.08,;-5.42,-.31,;-5.42,1.23,;-4.09,2,;-2.75,1.23,;-2.75,-.31,;-4.09,-1.08,;-2.75,2.77,;-1.29,3.25,;-.52,4.58,;-.38,2,;-1.29,.75,;-.52,-.58,;1.16,2,;1.93,.67,;3.47,.67,;4.24,2,;3.47,3.33,;1.93,3.33,;1.16,4.67,;4.24,-.67,;3.47,-2,;4.24,-3.33,;5.78,-3.33,;6.55,-4.67,;6.55,-2,;8.09,-2,;5.78,-.67,)| Show InChI InChI=1S/C23H23ClFNO3/c1-13-3-4-14(15-5-6-18(24)19(25)12-15)11-17(13)20-21(27)23(26-22(20)28)9-7-16(29-2)8-10-23/h3-6,11-12,16,27H,7-10H2,1-2H3,(H,26,28)/t16-,23+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	102	n/a	n/a	n/a	n/a	7.5	22
Bayer Intellectual Property GmbH US Patent					Assay Description Assay B1 (=(B1)): The hACC1-inhibitory action of the substances of the present invention was measured in the hACC 1 assay described in the paragraphs...				US Patent US9212140 (2015) BindingDB Entry DOI: 10.7270/Q22Z14BD
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-967] (Homo sapiens (Human))	BDBM196503 (US9212140, A) Show SMILES CO[C@H]1CC[C@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:5.8,2.1,c:12,(-8.09,-.31,;-6.75,-1.08,;-5.42,-.31,;-5.42,1.23,;-4.09,2,;-2.75,1.23,;-2.75,-.31,;-4.09,-1.08,;-2.75,2.77,;-1.29,3.25,;-.52,4.58,;-.38,2,;-1.29,.75,;-.52,-.58,;1.16,2,;1.93,.67,;3.47,.67,;4.24,2,;3.47,3.33,;1.93,3.33,;1.16,4.67,;4.24,-.67,;3.47,-2,;4.24,-3.33,;5.78,-3.33,;6.55,-4.67,;6.55,-2,;8.09,-2,;5.78,-.67,)| Show InChI InChI=1S/C23H23ClFNO3/c1-13-3-4-14(15-5-6-18(24)19(25)12-15)11-17(13)20-21(27)23(26-22(20)28)9-7-16(29-2)8-10-23/h3-6,11-12,16,27H,7-10H2,1-2H3,(H,26,28)/t16-,23+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	129	n/a	n/a	n/a	n/a	7.5	22
Bayer Intellectual Property GmbH US Patent					Assay Description Assay A1 (=(A1)): The inhibitory activity of the substances of this invention with regard to acetyl-CoA carboxylase 1 (ACC1) was measured using the A...				US Patent US9212140 (2015) BindingDB Entry DOI: 10.7270/Q22Z14BD
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-967] (Homo sapiens (Human))	BDBM196504 (US9212140, C.1) Show SMILES CO[C@H]1CC[C@]2(CC1)NC(=O)C(=C2)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:5.8,2.1,c:12,(-7.43,1.12,;-6.34,.03,;-4.85,.43,;-4.45,1.92,;-2.96,2.32,;-1.87,1.23,;-2.27,-.26,;-3.76,-.66,;-1.87,2.77,;-.41,3.25,;.36,4.58,;.5,2,;-.41,.75,;2.04,2,;2.81,.67,;4.35,.67,;5.12,2,;4.35,3.33,;2.81,3.33,;2.04,4.67,;5.12,-.67,;4.35,-2,;5.12,-3.33,;6.66,-3.33,;7.43,-4.67,;7.43,-2,;6.66,-.67,)| Show InChI InChI=1S/C23H24ClNO2/c1-15-3-4-17(16-5-7-18(24)8-6-16)13-20(15)21-14-23(25-22(21)26)11-9-19(27-2)10-12-23/h3-8,13-14,19H,9-12H2,1-2H3,(H,25,26)/t19-,23+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	280	n/a	n/a	n/a	n/a	7.5	22
Bayer Intellectual Property GmbH US Patent					Assay Description Assay A1 (=(A1)): The inhibitory activity of the substances of this invention with regard to acetyl-CoA carboxylase 1 (ACC1) was measured using the A...				US Patent US9212140 (2015) BindingDB Entry DOI: 10.7270/Q22Z14BD
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-967] (Homo sapiens (Human))	BDBM196505 (US9212140, C.2) Show SMILES COC1CCC2(CC1)NC(=O)C(=C2)c1cc(ccc1C)-c1ccc(Cl)c(Cl)c1 |c:12,(-7.43,1.12,;-6.34,.03,;-4.85,.43,;-4.45,1.92,;-2.96,2.32,;-1.87,1.23,;-2.27,-.26,;-3.76,-.66,;-1.87,2.77,;-.41,3.25,;.36,4.58,;.5,2,;-.41,.75,;2.04,2,;2.81,.67,;4.35,.67,;5.12,2,;4.35,3.33,;2.81,3.33,;2.04,4.67,;5.12,-.67,;6.66,-.67,;7.43,-2,;6.66,-3.33,;7.43,-4.67,;5.12,-3.33,;4.35,-4.67,;4.35,-2,)| Show InChI InChI=1S/C23H23Cl2NO2/c1-14-3-4-15(16-5-6-20(24)21(25)12-16)11-18(14)19-13-23(26-22(19)27)9-7-17(28-2)8-10-23/h3-6,11-13,17H,7-10H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	327	n/a	n/a	n/a	n/a	7.5	22
Bayer Intellectual Property GmbH US Patent					Assay Description Assay A1 (=(A1)): The inhibitory activity of the substances of this invention with regard to acetyl-CoA carboxylase 1 (ACC1) was measured using the A...				US Patent US9212140 (2015) BindingDB Entry DOI: 10.7270/Q22Z14BD
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-967] (Homo sapiens (Human))	BDBM196505 (US9212140, C.2) Show SMILES COC1CCC2(CC1)NC(=O)C(=C2)c1cc(ccc1C)-c1ccc(Cl)c(Cl)c1 |c:12,(-7.43,1.12,;-6.34,.03,;-4.85,.43,;-4.45,1.92,;-2.96,2.32,;-1.87,1.23,;-2.27,-.26,;-3.76,-.66,;-1.87,2.77,;-.41,3.25,;.36,4.58,;.5,2,;-.41,.75,;2.04,2,;2.81,.67,;4.35,.67,;5.12,2,;4.35,3.33,;2.81,3.33,;2.04,4.67,;5.12,-.67,;6.66,-.67,;7.43,-2,;6.66,-3.33,;7.43,-4.67,;5.12,-3.33,;4.35,-4.67,;4.35,-2,)| Show InChI InChI=1S/C23H23Cl2NO2/c1-14-3-4-15(16-5-6-20(24)21(25)12-16)11-18(14)19-13-23(26-22(19)27)9-7-17(28-2)8-10-23/h3-6,11-13,17H,7-10H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	428	n/a	n/a	n/a	n/a	7.5	22
Bayer Intellectual Property GmbH US Patent					Assay Description Assay B1 (=(B1)): The hACC1-inhibitory action of the substances of the present invention was measured in the hACC 1 assay described in the paragraphs...				US Patent US9212140 (2015) BindingDB Entry DOI: 10.7270/Q22Z14BD
					More data for this Ligand-Target Pair