BindingDB PrimarySearch

null

SMILES: CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

InChI Key: InChIKey=CDMGBJANTYXAIV-UHFFFAOYSA-N

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 913 hits for monomerid = 13336
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Muscle, skeletal receptor tyrosine-protein kinase (Homo sapiens (Human))	BDBM13336 (4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for MUSK kinase domain				Nat Biotechnol 26: 127-32 (2008) Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM13336 (4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for FLT3(N841I) kinase domain				Nat Biotechnol 26: 127-32 (2008) Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 11A (Homo sapiens (Human))	BDBM13336 (4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for CDC2L2 kinase domain				Nat Biotechnol 26: 127-32 (2008) Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM13336 (4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for RPS6KA3(Kin.Dom.1 - N-terminal) kinase domain				Nat Biotechnol 26: 127-32 (2008) Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM13336 (4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes				Bioorg Med Chem Lett 5: 1171-1176 (1995) Article DOI: 10.1016/0960-894X(95)00189-Z BindingDB Entry DOI: 10.7270/Q28S4PV1
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM13336 (4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
University of the Pacific Curated by ChEMBL					Assay Description Binding affinity to human KIT incubated for 1 hr by kinase binding assay				Eur J Med Chem 46: 2043-57 (2011) Article DOI: 10.1016/j.ejmech.2011.02.057 BindingDB Entry DOI: 10.7270/Q2F47Q45
University of the Pacific Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13336 (4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha by FRET assay				Bioorg Med Chem Lett 21: 4130-3 (2011) Article DOI: 10.1016/j.bmcl.2011.05.114 BindingDB Entry DOI: 10.7270/Q2NP25DM
Rhône-Poulenc Rorer Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13336 (4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
K£mia, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13336 (4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Inhibition of phospho-p38 alpha activity by ELISA				Bioorg Med Chem Lett 20: 4819-24 (2010) Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66
K£mia, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13336 (4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of p38alpha kinase				ACS Med Chem Lett 2: 758-763 (2011) Article DOI: 10.1021/ml2001455 BindingDB Entry DOI: 10.7270/Q26D5V19
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 11 (Homo sapiens (Human))	BDBM13336 (4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of p38beta kinase				ACS Med Chem Lett 2: 758-763 (2011) Article DOI: 10.1021/ml2001455 BindingDB Entry DOI: 10.7270/Q26D5V19
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13336 (4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Curated by ChEMBL					Assay Description Inhibition of p38alpha-dependent TNFalpha production in human whole blood				J Med Chem 55: 5868-77 (2012) Article DOI: 10.1021/jm300327h BindingDB Entry DOI: 10.7270/Q2CV4JTJ
Eberhard-Karls-University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13336 (4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Curated by ChEMBL					Assay Description Inhibition of p38alpha by immunosorbent based kinase assay				J Med Chem 55: 5868-77 (2012) Article DOI: 10.1021/jm300327h BindingDB Entry DOI: 10.7270/Q2CV4JTJ
Eberhard-Karls-University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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