BDBM50331806 CHEMBL1290649::methyl 3-phenyl-6-((4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-1H-1,2,3-triazol-1-yl)methyl)benzo[b]thiophene-2-carboxylate

SMILES: CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)OC)-c2ccccc2)nn1)C(F)(F)F

InChI Key: InChIKey=DYXRPCJFAUISEU-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50331806   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50331806 (CHEMBL1290649 | methyl 3-phenyl-6-((4-(1,1,1-trifl...) Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)OC)-c2ccccc2)nn1)C(F)(F)F Show InChI InChI=1S/C23H20F3N3O3S/c1-3-22(31,23(24,25)26)18-13-29(28-27-18)12-14-9-10-16-17(11-14)33-20(21(30)32-2)19(16)15-7-5-4-6-8-15/h4-11,13,31H,3,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of labeled MK-499 from human ERG				Bioorg Med Chem Lett 20: 7440-3 (2010) Article DOI: 10.1016/j.bmcl.2010.10.024 BindingDB Entry DOI: 10.7270/Q2XG9RC8
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50331806 (CHEMBL1290649 | methyl 3-phenyl-6-((4-(1,1,1-trifl...) Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)OC)-c2ccccc2)nn1)C(F)(F)F Show InChI InChI=1S/C23H20F3N3O3S/c1-3-22(31,23(24,25)26)18-13-29(28-27-18)12-14-9-10-16-17(11-14)33-20(21(30)32-2)19(16)15-7-5-4-6-8-15/h4-11,13,31H,3,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase assessed as arachidonic acid oxidation				Bioorg Med Chem Lett 20: 7440-3 (2010) Article DOI: 10.1016/j.bmcl.2010.10.024 BindingDB Entry DOI: 10.7270/Q2XG9RC8
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50331806 (CHEMBL1290649 | methyl 3-phenyl-6-((4-(1,1,1-trifl...) Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)OC)-c2ccccc2)nn1)C(F)(F)F Show InChI InChI=1S/C23H20F3N3O3S/c1-3-22(31,23(24,25)26)18-13-29(28-27-18)12-14-9-10-16-17(11-14)33-20(21(30)32-2)19(16)15-7-5-4-6-8-15/h4-11,13,31H,3,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human whole blood assessed as inhibition of LTB4 production				Bioorg Med Chem Lett 20: 7440-3 (2010) Article DOI: 10.1016/j.bmcl.2010.10.024 BindingDB Entry DOI: 10.7270/Q2XG9RC8
					More data for this Ligand-Target Pair