Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 1' and Ligand = 'BDBM50511112'   

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 (Rattus norvegicus (Rat))	BDBM50511112 (CHEMBL4567446) Show SMILES COc1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2 Show InChI InChI=1S/C28H30N4O5/c1-17(2)32-25-21(16-29-32)14-28(15-23(25)33)8-10-31(11-9-28)26(34)20-12-22(30-24(13-20)37-3)18-4-6-19(7-5-18)27(35)36/h4-7,12-13,16-17H,8-11,14-15H2,1-3H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat ACC1 using acetyl-CoA as substrate incubated for 20 mins in presence of [14C]O3 by liquid scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00640 BindingDB Entry DOI: 10.7270/Q2RR22VT
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50511112 (CHEMBL4567446) Show SMILES COc1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2 Show InChI InChI=1S/C28H30N4O5/c1-17(2)32-25-21(16-29-32)14-28(15-23(25)33)8-10-31(11-9-28)26(34)20-12-22(30-24(13-20)37-3)18-4-6-19(7-5-18)27(35)36/h4-7,12-13,16-17H,8-11,14-15H2,1-3H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Uncompetitive inhibition of human ACC1 incubated for 15 mins in presence of ATP by Line weaver-Burk plot analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00640 BindingDB Entry DOI: 10.7270/Q2RR22VT
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50511112 (CHEMBL4567446) Show SMILES COc1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2 Show InChI InChI=1S/C28H30N4O5/c1-17(2)32-25-21(16-29-32)14-28(15-23(25)33)8-10-31(11-9-28)26(34)20-12-22(30-24(13-20)37-3)18-4-6-19(7-5-18)27(35)36/h4-7,12-13,16-17H,8-11,14-15H2,1-3H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of ACC1 (unknown origin)				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701 BindingDB Entry DOI: 10.7270/Q2DJ5JXG
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50511112 (CHEMBL4567446) Show SMILES COc1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2 Show InChI InChI=1S/C28H30N4O5/c1-17(2)32-25-21(16-29-32)14-28(15-23(25)33)8-10-31(11-9-28)26(34)20-12-22(30-24(13-20)37-3)18-4-6-19(7-5-18)27(35)36/h4-7,12-13,16-17H,8-11,14-15H2,1-3H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ACC1 using acetyl coA as substrate incubated for 1 hr by transcreener fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00640 BindingDB Entry DOI: 10.7270/Q2RR22VT
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50511112 (CHEMBL4567446) Show SMILES COc1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2 Show InChI InChI=1S/C28H30N4O5/c1-17(2)32-25-21(16-29-32)14-28(15-23(25)33)8-10-31(11-9-28)26(34)20-12-22(30-24(13-20)37-3)18-4-6-19(7-5-18)27(35)36/h4-7,12-13,16-17H,8-11,14-15H2,1-3H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ACC1 using acetyl coA as substrate incubated for 1 hr by transcreener fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00640 BindingDB Entry DOI: 10.7270/Q2RR22VT
					More data for this Ligand-Target Pair