BindingDB PrimarySearch

BDBM109232 6-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)picolinic acid (Compound 3)::CHEMBL2398173

SMILES: OC(=O)c1cccc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1

InChI Key: InChIKey=ZGERKAMDOWOUTN-UHFFFAOYSA-N

Data: 10 IC50 1 Kd

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 109232
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
Isoform Bcl-X(L) (Homo sapiens (Human))	BDBM109232 (6-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetr...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	7.4	25
Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia					Assay Description Each 384-well plate was prepared with 4.75 µL of working assay buffer (50 mM HEPES, 10 mM DTT, 100 mM NaCl, 0.05% Tween029 and 0.1 mg/mL casein,...				Nat Chem Biol 9: 390-7 (2013) Article DOI: 10.1038/nchembio.1246 BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM109232 (6-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetr...) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	7.4	25
Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia					Assay Description Each 384-well plate was prepared with 4.75 µL of working assay buffer (50 mM HEPES, 10 mM DTT, 100 mM NaCl, 0.05% Tween029 and 0.1 mg/mL casein,...				Nat Chem Biol 9: 390-7 (2013) Article DOI: 10.1038/nchembio.1246 BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) (Homo sapiens (Human))	BDBM109232 (6-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetr...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.4	n/a
Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia					Assay Description The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 µL/min. For His-Bcl-2 protein assays...				Nat Chem Biol 9: 390-7 (2013) Article DOI: 10.1038/nchembio.1246 BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM109232 (6-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetr...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.4	n/a
Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia					Assay Description The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 µL/min. For His-Bcl-2 protein assays...				Nat Chem Biol 9: 390-7 (2013) Article DOI: 10.1038/nchembio.1246 BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
					More data for this Ligand-Target Pair
BCL-W (Homo sapiens (Human))	BDBM109232 (6-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetr...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.4	n/a
Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia					Assay Description The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 µL/min. For His-Bcl-2 protein assays...				Nat Chem Biol 9: 390-7 (2013) Article DOI: 10.1038/nchembio.1246 BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM109232 (6-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetr...) Show SMILES Show InChI	PDB MMDB NCI pathway 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	n/a	4.10	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged Bcl-Xl assessed as dissociation rate by surface plasmon resonance assay				J Med Chem 56: 5514-40 (2014) Article DOI: 10.1021/jm400556w BindingDB Entry DOI: 10.7270/Q2X92CQT
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM109232 (6-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetr...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance assay				J Med Chem 56: 5514-40 (2014) Article DOI: 10.1021/jm400556w BindingDB Entry DOI: 10.7270/Q2X92CQT
					More data for this Ligand-Target Pair
BCL-W (Homo sapiens (Human))	BDBM109232 (6-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetr...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Binding affinity to Bcl-w (unknown origin) by surface plasmon resonance assay				J Med Chem 56: 5514-40 (2014) Article DOI: 10.1021/jm400556w BindingDB Entry DOI: 10.7270/Q2X92CQT
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM109232 (6-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetr...) Show SMILES Show InChI	PDB MMDB NCI pathway 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	23	n/a	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged Bcl-Xl by luminescence proximity assay				J Med Chem 56: 5514-40 (2014) Article DOI: 10.1021/jm400556w BindingDB Entry DOI: 10.7270/Q2X92CQT
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM109232 (6-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetr...) Show SMILES Show InChI	PDB MMDB NCI pathway 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	20	n/a	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged Bcl-Xl by surface plasmon resonance assay				J Med Chem 56: 5514-40 (2014) Article DOI: 10.1021/jm400556w BindingDB Entry DOI: 10.7270/Q2X92CQT
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM109232 (6-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetr...) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.4	n/a
Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia					Assay Description The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 µL/min. For His-Bcl-2 protein assays...				Nat Chem Biol 9: 390-7 (2013) Article DOI: 10.1038/nchembio.1246 BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
					More data for this Ligand-Target Pair