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SMILES: COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n([C@H]2C[C@@](C)(C2)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 526976   

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 (Homo sapiens (Human))	BDBM526976 (US11186587, Example 3) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n([C@H]2C[C@@](C)(C2)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1 |r,wU:8.39,22.27,wD:20.21,22.24,(4.9,-4.47,;3.56,-3.7,;2.23,-4.47,;2.23,-6.01,;.89,-6.78,;-.44,-6.01,;-.44,-4.47,;.89,-3.7,;.89,-2.16,;2.23,-1.39,;2.23,.15,;.89,.92,;-.57,.44,;-1.48,1.69,;-.57,2.93,;-1.05,4.4,;.89,2.46,;2.23,3.23,;2.23,4.77,;3.56,2.46,;4.9,3.23,;6.38,2.83,;6.78,4.31,;7.52,5.67,;5.29,4.71,;8.32,4.27,;9.06,2.92,;9.13,5.59,;3.56,.92,;4.9,.15,;-3.02,1.69,;-3.92,.44,;-5.39,.92,;-5.39,2.46,;-3.92,2.93,;-.44,-1.39,;-1.77,-2.16,;-3.11,-1.39,;-4.44,-2.16,;-4.44,-3.7,;-3.11,-4.47,;-1.77,-3.7,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	11.9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM526976 (US11186587, Example 3) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n([C@H]2C[C@@](C)(C2)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1 |r,wU:8.39,22.27,wD:20.21,22.24,(4.9,-4.47,;3.56,-3.7,;2.23,-4.47,;2.23,-6.01,;.89,-6.78,;-.44,-6.01,;-.44,-4.47,;.89,-3.7,;.89,-2.16,;2.23,-1.39,;2.23,.15,;.89,.92,;-.57,.44,;-1.48,1.69,;-.57,2.93,;-1.05,4.4,;.89,2.46,;2.23,3.23,;2.23,4.77,;3.56,2.46,;4.9,3.23,;6.38,2.83,;6.78,4.31,;7.52,5.67,;5.29,4.71,;8.32,4.27,;9.06,2.92,;9.13,5.59,;3.56,.92,;4.9,.15,;-3.02,1.69,;-3.92,.44,;-5.39,.92,;-5.39,2.46,;-3.92,2.93,;-.44,-1.39,;-1.77,-2.16,;-3.11,-1.39,;-4.44,-2.16,;-4.44,-3.7,;-3.11,-4.47,;-1.77,-3.7,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair