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SMILES: COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CC(C2)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 526973   

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))	BDBM526973 (US11186587, Example 1) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CC(C2)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1 |(-2.47,-4.39,;-1.14,-3.62,;.2,-4.39,;.2,-5.93,;1.53,-6.7,;2.86,-5.93,;2.86,-4.39,;1.53,-3.62,;1.53,-2.08,;.2,-1.31,;.2,.23,;-1.14,1,;-2.6,.52,;-3.51,1.77,;-2.6,3.01,;-3.08,4.48,;-1.14,2.54,;.2,3.31,;.2,4.85,;1.53,2.54,;2.86,3.31,;4.35,2.91,;4.75,4.39,;3.26,4.79,;6.08,5.16,;7.42,4.39,;6.08,6.7,;1.53,1,;2.86,.23,;-5.05,1.77,;-5.95,.52,;-7.42,1,;-7.42,2.54,;-5.95,3.01,;2.86,-1.31,;4.2,-2.08,;4.2,-3.62,;5.53,-4.39,;6.86,-3.62,;6.86,-2.08,;5.53,-1.31,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.13	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))	BDBM526973 (US11186587, Example 1) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CC(C2)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1 |(-2.47,-4.39,;-1.14,-3.62,;.2,-4.39,;.2,-5.93,;1.53,-6.7,;2.86,-5.93,;2.86,-4.39,;1.53,-3.62,;1.53,-2.08,;.2,-1.31,;.2,.23,;-1.14,1,;-2.6,.52,;-3.51,1.77,;-2.6,3.01,;-3.08,4.48,;-1.14,2.54,;.2,3.31,;.2,4.85,;1.53,2.54,;2.86,3.31,;4.35,2.91,;4.75,4.39,;3.26,4.79,;6.08,5.16,;7.42,4.39,;6.08,6.7,;1.53,1,;2.86,.23,;-5.05,1.77,;-5.95,.52,;-7.42,1,;-7.42,2.54,;-5.95,3.01,;2.86,-1.31,;4.2,-2.08,;4.2,-3.62,;5.53,-4.39,;6.86,-3.62,;6.86,-2.08,;5.53,-1.31,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair