BindingDB PrimarySearch

BDBM50052254 2',6'-dichloro-4-((2-chlorophenyl)thio)-5-hydroxy-1,6-dihydro-[1,1'-biphenyl]-3(2H)-one (3)::CHEMBL3318469

SMILES: OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Cl

InChI Key: InChIKey=WOBNNXBIQRYYDO-UHFFFAOYSA-N

Data: 13 IC50 1 Kd

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50052254
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
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50052254 (2',6'-dichloro-4-((2-chlorophenyl)thio)-5-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Genentech					Assay Description LDHA, LDHB, LDHC, MDH1 and MDH2 enzymatic assays have been described in detail previously [Dragovich, P.S. et al, Bioorg. Med. Chem. Lett. 24:3764-37...				Nat Chem Biol 12: 779-86 (2016) Article DOI: 10.1038/nchembio.2143 BindingDB Entry DOI: 10.7270/Q2W95800
Genentech					More data for this Ligand-Target Pair				3D Structure (crystal)
Lactate dehydrogenase B (LDHB) (Homo sapiens (Human))	BDBM50052254 (2',6'-dichloro-4-((2-chlorophenyl)thio)-5-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech					Assay Description LDHA, LDHB, LDHC, MDH1 and MDH2 enzymatic assays have been described in detail previously [Dragovich, P.S. et al, Bioorg. Med. Chem. Lett. 24:3764-37...				Nat Chem Biol 12: 779-86 (2016) Article DOI: 10.1038/nchembio.2143 BindingDB Entry DOI: 10.7270/Q2W95800
Genentech					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50052254 (2',6'-dichloro-4-((2-chlorophenyl)thio)-5-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 24: 3764-71 (2014) Article DOI: 10.1016/j.bmcl.2014.06.076 BindingDB Entry DOI: 10.7270/Q2445P46
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50052254 (2',6'-dichloro-4-((2-chlorophenyl)thio)-5-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 24: 3764-71 (2014) Article DOI: 10.1016/j.bmcl.2014.06.076 BindingDB Entry DOI: 10.7270/Q2445P46
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50052254 (2',6'-dichloro-4-((2-chlorophenyl)thio)-5-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 24: 3764-71 (2014) Article DOI: 10.1016/j.bmcl.2014.06.076 BindingDB Entry DOI: 10.7270/Q2445P46
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50052254 (2',6'-dichloro-4-((2-chlorophenyl)thio)-5-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 24: 3764-71 (2014) Article DOI: 10.1016/j.bmcl.2014.06.076 BindingDB Entry DOI: 10.7270/Q2445P46
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Lactate dehydrogenase B (LDHB) (Homo sapiens (Human))	BDBM50052254 (2',6'-dichloro-4-((2-chlorophenyl)thio)-5-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of LDHB (unknown origin)				Bioorg Med Chem Lett 24: 4915-25 (2014) BindingDB Entry DOI: 10.7270/Q25Q4XV9
Universit£ di Pisa Curated by ChEMBL					More data for this Ligand-Target Pair
Malate dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM50052254 (2',6'-dichloro-4-((2-chlorophenyl)thio)-5-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged MDH-2				Bioorg Med Chem Lett 24: 3764-71 (2014) Article DOI: 10.1016/j.bmcl.2014.06.076 BindingDB Entry DOI: 10.7270/Q2445P46
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Lactate dehydrogenase B (LDHB) (Homo sapiens (Human))	BDBM50052254 (2',6'-dichloro-4-((2-chlorophenyl)thio)-5-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHB by UV endpoint assay				Bioorg Med Chem Lett 24: 3764-71 (2014) Article DOI: 10.1016/j.bmcl.2014.06.076 BindingDB Entry DOI: 10.7270/Q2445P46
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50052254 (2',6'-dichloro-4-((2-chlorophenyl)thio)-5-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by SPR assay				Bioorg Med Chem Lett 24: 3764-71 (2014) Article DOI: 10.1016/j.bmcl.2014.06.076 BindingDB Entry DOI: 10.7270/Q2445P46
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50052254 (2',6'-dichloro-4-((2-chlorophenyl)thio)-5-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay				Bioorg Med Chem Lett 24: 3764-71 (2014) Article DOI: 10.1016/j.bmcl.2014.06.076 BindingDB Entry DOI: 10.7270/Q2445P46
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50052254 (2',6'-dichloro-4-((2-chlorophenyl)thio)-5-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50052254 (2',6'-dichloro-4-((2-chlorophenyl)thio)-5-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of LDHA (unknown origin)				Bioorg Med Chem Lett 24: 4915-25 (2014) BindingDB Entry DOI: 10.7270/Q25Q4XV9
Universit£ di Pisa Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Malate dehydrogenase cytoplasmic (Homo sapiens (Human))	BDBM50052254 (2',6'-dichloro-4-((2-chlorophenyl)thio)-5-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged MDH-1				Bioorg Med Chem Lett 24: 3764-71 (2014) Article DOI: 10.1016/j.bmcl.2014.06.076 BindingDB Entry DOI: 10.7270/Q2445P46
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair