BindingDB PrimarySearch

BDBM50273709 2-(4-(Biphenyl-4-ylamino)-6-chloropyrimidine-2-ylthio)octanoic acid::CHEMBL460616

SMILES: CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccccc2)n1)C(O)=O

InChI Key: InChIKey=MLNIGXYHGQLWLD-UHFFFAOYSA-N

Data: 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50273709
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
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50273709 (2-(4-(Biphenyl-4-ylamino)-6-chloropyrimidine-2-ylt...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated 5 to 10 mins prior to...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
Goethe-University Frankfurt Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50273709 (2-(4-(Biphenyl-4-ylamino)-6-chloropyrimidine-2-ylt...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin)				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
Goethe-University Frankfurt Curated by ChEMBL					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50273709 (2-(4-(Biphenyl-4-ylamino)-6-chloropyrimidine-2-ylt...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
Goethe-University Frankfurt Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50273709 (2-(4-(Biphenyl-4-ylamino)-6-chloropyrimidine-2-ylt...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
Eberhard-Karls-University Tuebingen Curated by ChEMBL					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50273709 (2-(4-(Biphenyl-4-ylamino)-6-chloropyrimidine-2-ylt...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli by cell-free assay				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
Eberhard-Karls-University Tuebingen Curated by ChEMBL					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50273709 (2-(4-(Biphenyl-4-ylamino)-6-chloropyrimidine-2-ylt...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-LO in PMNL cells				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
Eberhard-Karls-University Tuebingen Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50273709 (2-(4-(Biphenyl-4-ylamino)-6-chloropyrimidine-2-ylt...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of ovine COX1				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
Eberhard-Karls-University Tuebingen Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50273709 (2-(4-(Biphenyl-4-ylamino)-6-chloropyrimidine-2-ylt...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of PGES1 in human A549 cell microsome assessed as PGE2 formation by cell-free assay				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
Eberhard-Karls-University Tuebingen Curated by ChEMBL					More data for this Ligand-Target Pair