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SMILES: COc1cc2ncnc(N3CCC4(CCN(C4)[S@@](C)(=N)=O)CC3)c2cc1OC

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 624500   

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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM624500 (US11780849, Compound 54a) Show SMILES COc1cc2ncnc(N3CCC4(CCN(C4)[S@@](C)(=N)=O)CC3)c2cc1OC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM624500 (US11780849, Compound 54a) Show SMILES COc1cc2ncnc(N3CCC4(CCN(C4)[S@@](C)(=N)=O)CC3)c2cc1OC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM624500 (US11780849, Compound 54a) Show SMILES COc1cc2ncnc(N3CCC4(CCN(C4)[S@@](C)(=N)=O)CC3)c2cc1OC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM624500 (US11780849, Compound 54a) Show SMILES COc1cc2ncnc(N3CCC4(CCN(C4)[S@@](C)(=N)=O)CC3)c2cc1OC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair