Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 1' and Ligand = 'BDBM496965'   

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))	BDBM496965 (US10995099, Example 55) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CCCC1)C(O)=O)-n1nccn1)OC1CCOCC1 |r| Show InChI InChI=1S/C29H33N5O7S/c1-18-23-24(35)33(29(27(36)37)11-5-6-12-29)28(38)32(26(23)42-25(18)34-30-13-14-31-34)17-22(41-19-9-15-40-16-10-19)20-7-3-4-8-21(20)39-2/h3-4,7-8,13-14,19,22H,5-6,9-12,15-17H2,1-2H3,(H,36,37)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Ruijie Pharmatech Co., Ltd. US Patent					Assay Description An exemplary procedure for the in vitro ACC inhibition assay, which can be used to determine the inhibitory action of compounds of the invention towa...				US Patent US10995099 (2021) BindingDB Entry DOI: 10.7270/Q2028VPN
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