BindingDB PrimarySearch

BDBM50293756 2-(4-(methylthio)phenylamino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide::CHEMBL561696::KSP Inhibitor, 4a

SMILES: CSc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1

InChI Key: InChIKey=LDIUIXFIAWISPB-UHFFFAOYSA-N

Data: 8 IC50 1 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50293756
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
kinesin spindle protein (Homo sapiens (Human))	BDBM50293756 (2-(4-(methylthio)phenylamino)-1-(2-(trifluoromethy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Binding assay using temperature-dependent circular dichroism (TdCD). In TdCD, the loss of protein secondary structure was monitored as a function of...				Biochemistry 49: 8350-8 (2010) Article DOI: 10.1021/bi1005283 BindingDB Entry DOI: 10.7270/Q22V2DQ0
Merck Research Laboratories					More data for this Ligand-Target Pair
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM50293756 (2-(4-(methylthio)phenylamino)-1-(2-(trifluoromethy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human kinesin spindle protein by endpoint assay				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
Schering-Plough Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Kinesin-like protein KIF3B (Homo sapiens (Human))	BDBM50293756 (2-(4-(methylthio)phenylamino)-1-(2-(trifluoromethy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of Kif3B				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
Schering-Plough Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Kinesin heavy chain isoform 5A (Homo sapiens (Human))	BDBM50293756 (2-(4-(methylthio)phenylamino)-1-(2-(trifluoromethy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of nKHC				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
Schering-Plough Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50293756 (2-(4-(methylthio)phenylamino)-1-(2-(trifluoromethy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C9 preincubated with compound				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
Schering-Plough Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50293756 (2-(4-(methylthio)phenylamino)-1-(2-(trifluoromethy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2D6 coincubated with compound				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
Schering-Plough Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50293756 (2-(4-(methylthio)phenylamino)-1-(2-(trifluoromethy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C9 coincubated with compound				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
Schering-Plough Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50293756 (2-(4-(methylthio)phenylamino)-1-(2-(trifluoromethy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2D6 preincubated with compound				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
Schering-Plough Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50293756 (2-(4-(methylthio)phenylamino)-1-(2-(trifluoromethy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP3A4 coincubated with compound				Bioorg Med Chem Lett 19: 3405-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.040 BindingDB Entry DOI: 10.7270/Q2MS3SS3
Schering-Plough Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair