BindingDB PrimarySearch

BDBM50196032 (N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-trihydroxy-5-(2-isopropylbenzyl)benzamide::CHEMBL217354::N-[(2-tert-butyl-benzenesulfonyl)-phenyl]-2,3,4-trihydroxy-5-(2-isopropyl-benzyl)-benzamide::TW-37

SMILES: CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(O)c(O)c1O

InChI Key: InChIKey=PQAPVTKIEGUPRN-UHFFFAOYSA-N

Data: 4 KI 4 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50196032
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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bid from human Mcl1 by FP assay				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
University of Michigan Curated by ChEMBL					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bid from human Bcl2 by FP assay				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
University of Michigan Curated by ChEMBL					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Lyon Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from human recombinant Bcl-xL by fluorescence polarization assay				J Med Chem 53: 2577-88 (2010) Article DOI: 10.1021/jm100009z BindingDB Entry DOI: 10.7270/Q2445MK6
Universite de Lyon Curated by ChEMBL					More data for this Ligand-Target Pair
Bcl-xL/Bcl-2-binding component 3 (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bak from human Bcl-xL by FP assay				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
University of Michigan Curated by ChEMBL					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	n/a	4.63E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	2.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of growth of human PC3 cell overexpressing Bcl2				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
University of Michigan Curated by ChEMBL					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bak from human Bcl-xL by FP assay				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
University of Michigan Curated by ChEMBL					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bid from human Mcl1 by FP assay				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
University of Michigan Curated by ChEMBL					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to human Bcl2 by ELISA				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
University of Michigan Curated by ChEMBL					More data for this Ligand-Target Pair