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SMILES: OC(=O)CSc1ncnc2cc(sc12)-c1ccc(cc1)C#N

InChI Key: InChIKey=TWQVHRFBPFODIM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50354540   

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
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50354540 (CHEMBL1836717) Show SMILES OC(=O)CSc1ncnc2cc(sc12)-c1ccc(cc1)C#N Show InChI InChI=1S/C15H9N3O2S2/c16-6-9-1-3-10(4-2-9)12-5-11-14(22-12)15(18-8-17-11)21-7-13(19)20/h1-5,8H,7H2,(H,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of TPL2				Bioorg Med Chem Lett 21: 5952-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.069 BindingDB Entry DOI: 10.7270/Q2X63NC0
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 17B (Homo sapiens (Human))	BDBM50354540 (CHEMBL1836717) Show SMILES OC(=O)CSc1ncnc2cc(sc12)-c1ccc(cc1)C#N Show InChI InChI=1S/C15H9N3O2S2/c16-6-9-1-3-10(4-2-9)12-5-11-14(22-12)15(18-8-17-11)21-7-13(19)20/h1-5,8H,7H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to C-terminal nano-luciferase tagged STK17B (unknown origin) expressed in HEK293 cells incubated for 2 hrs by nano-BRET assay based ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01174 BindingDB Entry DOI: 10.7270/Q2DB85J2
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 17B (Homo sapiens (Human))	BDBM50354540 (CHEMBL1836717) Show SMILES OC(=O)CSc1ncnc2cc(sc12)-c1ccc(cc1)C#N Show InChI InChI=1S/C15H9N3O2S2/c16-6-9-1-3-10(4-2-9)12-5-11-14(22-12)15(18-8-17-11)21-7-13(19)20/h1-5,8H,7H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01174 BindingDB Entry DOI: 10.7270/Q2DB85J2
					More data for this Ligand-Target Pair