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SMILES: Cc1cc(n[nH]1)-c1sccc1NC(=O)Cc1cccc2ccccc12

InChI Key: InChIKey=WECVVDLKMBWACI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50332075   

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))	BDBM50332075 (CHEMBL1288004 | N-(2-(5-methyl-1H-pyrazol-3-yl)thi...) Show SMILES Cc1cc(n[nH]1)-c1sccc1NC(=O)Cc1cccc2ccccc12 Show InChI InChI=1S/C20H17N3OS/c1-13-11-18(23-22-13)20-17(9-10-25-20)21-19(24)12-15-7-4-6-14-5-2-3-8-16(14)15/h2-11H,12H2,1H3,(H,21,24)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+3	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))	BDBM50332075 (CHEMBL1288004 | N-(2-(5-methyl-1H-pyrazol-3-yl)thi...) Show SMILES Cc1cc(n[nH]1)-c1sccc1NC(=O)Cc1cccc2ccccc12 Show InChI InChI=1S/C20H17N3OS/c1-13-11-18(23-22-13)20-17(9-10-25-20)21-19(24)12-15-7-4-6-14-5-2-3-8-16(14)15/h2-11H,12H2,1H3,(H,21,24)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	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 8 (Homo sapiens (Human))	BDBM50332075 (CHEMBL1288004 | N-(2-(5-methyl-1H-pyrazol-3-yl)thi...) Show SMILES Cc1cc(n[nH]1)-c1sccc1NC(=O)Cc1cccc2ccccc12 Show InChI InChI=1S/C20H17N3OS/c1-13-11-18(23-22-13)20-17(9-10-25-20)21-19(24)12-15-7-4-6-14-5-2-3-8-16(14)15/h2-11H,12H2,1H3,(H,21,24)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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))	BDBM50332075 (CHEMBL1288004 | N-(2-(5-methyl-1H-pyrazol-3-yl)thi...) Show SMILES Cc1cc(n[nH]1)-c1sccc1NC(=O)Cc1cccc2ccccc12 Show InChI InChI=1S/C20H17N3OS/c1-13-11-18(23-22-13)20-17(9-10-25-20)21-19(24)12-15-7-4-6-14-5-2-3-8-16(14)15/h2-11H,12H2,1H3,(H,21,24)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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))	BDBM50332075 (CHEMBL1288004 | N-(2-(5-methyl-1H-pyrazol-3-yl)thi...) Show SMILES Cc1cc(n[nH]1)-c1sccc1NC(=O)Cc1cccc2ccccc12 Show InChI InChI=1S/C20H17N3OS/c1-13-11-18(23-22-13)20-17(9-10-25-20)21-19(24)12-15-7-4-6-14-5-2-3-8-16(14)15/h2-11H,12H2,1H3,(H,21,24)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.40E+3	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