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SMILES: COc1ccc(CC(=O)Nc2ccsc2-c2ncco2)cc1

InChI Key: InChIKey=KSZHRLGDJPCAID-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50332082   

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 8 (Homo sapiens (Human))	BDBM50332082 (2-(4-methoxyphenyl)-N-(2-(oxazol-2-yl)thiophen-3-y...) Show SMILES COc1ccc(CC(=O)Nc2ccsc2-c2ncco2)cc1 Show InChI InChI=1S/C16H14N2O3S/c1-20-12-4-2-11(3-5-12)10-14(19)18-13-6-9-22-15(13)16-17-7-8-21-16/h2-9H,10H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 20: 7303-7 (2010) Article DOI: 10.1016/j.bmcl.2010.10.066 BindingDB Entry DOI: 10.7270/Q20865JW
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50332082 (2-(4-methoxyphenyl)-N-(2-(oxazol-2-yl)thiophen-3-y...) Show SMILES COc1ccc(CC(=O)Nc2ccsc2-c2ncco2)cc1 Show InChI InChI=1S/C16H14N2O3S/c1-20-12-4-2-11(3-5-12)10-14(19)18-13-6-9-22-15(13)16-17-7-8-21-16/h2-9H,10H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 20: 7303-7 (2010) Article DOI: 10.1016/j.bmcl.2010.10.066 BindingDB Entry DOI: 10.7270/Q20865JW
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50332082 (2-(4-methoxyphenyl)-N-(2-(oxazol-2-yl)thiophen-3-y...) Show SMILES COc1ccc(CC(=O)Nc2ccsc2-c2ncco2)cc1 Show InChI InChI=1S/C16H14N2O3S/c1-20-12-4-2-11(3-5-12)10-14(19)18-13-6-9-22-15(13)16-17-7-8-21-16/h2-9H,10H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
IMAGO PHARMACEUTICALS, INC. US Patent					Assay Description (1) Assay buffer #1 with 0.0025% Tween and 1 mM DTT was prepared using JNK buffer stock solution.(2) Assay buffer #2 with 0.025% BSA was prepared usi...				US Patent US9796706 (2017) BindingDB Entry DOI: 10.7270/Q24T6MHK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50332082 (2-(4-methoxyphenyl)-N-(2-(oxazol-2-yl)thiophen-3-y...) Show SMILES COc1ccc(CC(=O)Nc2ccsc2-c2ncco2)cc1 Show InChI InChI=1S/C16H14N2O3S/c1-20-12-4-2-11(3-5-12)10-14(19)18-13-6-9-22-15(13)16-17-7-8-21-16/h2-9H,10H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	5.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
IMAGO PHARMACEUTICALS, INC. US Patent					Assay Description (1) Assay buffer #1 with 0.0025% Tween and 1 mM DTT was prepared using JNK buffer stock solution.(2) Assay buffer #2 with 0.025% BSA was prepared usi...				US Patent US9796706 (2017) BindingDB Entry DOI: 10.7270/Q24T6MHK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50332082 (2-(4-methoxyphenyl)-N-(2-(oxazol-2-yl)thiophen-3-y...) Show SMILES COc1ccc(CC(=O)Nc2ccsc2-c2ncco2)cc1 Show InChI InChI=1S/C16H14N2O3S/c1-20-12-4-2-11(3-5-12)10-14(19)18-13-6-9-22-15(13)16-17-7-8-21-16/h2-9H,10H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	5.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
IMAGO PHARMACEUTICALS, INC. US Patent					Assay Description (1) Assay buffer #1 with 0.0025% Tween and 1 mM DTT was prepared using JNK buffer stock solution.(2) Assay buffer #2 with 0.025% BSA was prepared usi...				US Patent US9796706 (2017) BindingDB Entry DOI: 10.7270/Q24T6MHK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50332082 (2-(4-methoxyphenyl)-N-(2-(oxazol-2-yl)thiophen-3-y...) Show SMILES COc1ccc(CC(=O)Nc2ccsc2-c2ncco2)cc1 Show InChI InChI=1S/C16H14N2O3S/c1-20-12-4-2-11(3-5-12)10-14(19)18-13-6-9-22-15(13)16-17-7-8-21-16/h2-9H,10H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 20: 7303-7 (2010) Article DOI: 10.1016/j.bmcl.2010.10.066 BindingDB Entry DOI: 10.7270/Q20865JW
					More data for this Ligand-Target Pair