null

SMILES: COC(=O)c1sccc1NC(=O)Cc1cccs1

InChI Key: InChIKey=CXOCENPNQSXLGZ-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50332040   

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))	BDBM50332040 (CHEMBL1288895 | methyl 3-(2-(thiophen-2-yl)acetami...) Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccs1 Show InChI InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(4-6-18-11)13-10(14)7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.80E+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				3D Structure (crystal)
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50332040 (CHEMBL1288895 | methyl 3-(2-(thiophen-2-yl)acetami...) Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccs1 Show InChI InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(4-6-18-11)13-10(14)7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.14E+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				3D Structure (crystal)
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50332040 (CHEMBL1288895 | methyl 3-(2-(thiophen-2-yl)acetami...) Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccs1 Show InChI InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(4-6-18-11)13-10(14)7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.20E+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				3D Structure (crystal)
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50332040 (CHEMBL1288895 | methyl 3-(2-(thiophen-2-yl)acetami...) Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccs1 Show InChI InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(4-6-18-11)13-10(14)7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 1838-43 (2011) Article DOI: 10.1016/j.bmcl.2011.01.046 BindingDB Entry DOI: 10.7270/Q2Q52PX0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50332040 (CHEMBL1288895 | methyl 3-(2-(thiophen-2-yl)acetami...) Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccs1 Show InChI InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(4-6-18-11)13-10(14)7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 1838-43 (2011) Article DOI: 10.1016/j.bmcl.2011.01.046 BindingDB Entry DOI: 10.7270/Q2Q52PX0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50332040 (CHEMBL1288895 | methyl 3-(2-(thiophen-2-yl)acetami...) Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccs1 Show InChI InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(4-6-18-11)13-10(14)7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant p38alpha after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 1838-43 (2011) Article DOI: 10.1016/j.bmcl.2011.01.046 BindingDB Entry DOI: 10.7270/Q2Q52PX0
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50332040 (CHEMBL1288895 | methyl 3-(2-(thiophen-2-yl)acetami...) Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccs1 Show InChI InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(4-6-18-11)13-10(14)7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant ERK2 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 1838-43 (2011) Article DOI: 10.1016/j.bmcl.2011.01.046 BindingDB Entry DOI: 10.7270/Q2Q52PX0
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50332040 (CHEMBL1288895 | methyl 3-(2-(thiophen-2-yl)acetami...) Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccs1 Show InChI InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(4-6-18-11)13-10(14)7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 1838-43 (2011) Article DOI: 10.1016/j.bmcl.2011.01.046 BindingDB Entry DOI: 10.7270/Q2Q52PX0
					More data for this Ligand-Target Pair				3D Structure (crystal)