Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 1' and Ligand = 'BDBM459210'   

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 (Homo sapiens (Human))	BDBM459210 (2-[1-[2-[[(2S,3aS,6aR)-4,5-dihydroxy-1,2,3,3a,4,5,...) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(O)C(O)[C@H]2C1 |r| Show InChI InChI=1S/C31H35N3O9S/c1-15-23-27(37)34(31(2,3)29(38)39)30(40)33(28(23)44-25(15)26-32-9-10-42-26)14-22(18-7-5-6-8-21(18)41-4)43-17-11-16-12-20(35)24(36)19(16)13-17/h5-10,16-17,19-20,22,24,35-36H,11-14H2,1-4H3,(H,38,39)/t16-,17-,19-,20?,22?,24?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.55	n/a	n/a	n/a	n/a	n/a	n/a
Sunshine Lake Pharma Co., Ltd. US Patent					Assay Description a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...				US Patent US10759812 (2020) BindingDB Entry DOI: 10.7270/Q22N55B7
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