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SMILES: COCc1nn(Cc2ccc(nc2C)N2CC3(CC3)C2)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 448394   

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
Plasma kallikrein (Homo sapiens (Human))	BDBM448394 (1-[(6-{5-Azaspiro[2.3]hexan-5-yl}-2-methylpyridin-...) Show SMILES COCc1nn(Cc2ccc(nc2C)N2CC3(CC3)C2)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...				US Patent US10695334 (2020)
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM448394 (1-[(6-{5-Azaspiro[2.3]hexan-5-yl}-2-methylpyridin-...) Show SMILES COCc1nn(Cc2ccc(nc2C)N2CC3(CC3)C2)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37° C. For ...				US Patent US10695334 (2020)
					More data for this Ligand-Target Pair