BindingDB PrimarySearch

BDBM50148549 4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-oxo-1H-benzimidazol-5-yl)-2-methyl-benzenesulfonamide::4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-oxo-1H-benzimidazol-5-yl)-2-methylbenzenesulfonamide::CHEMBL3770173::OF 1::OF-1

SMILES: COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1ccc(Br)cc1C

InChI Key: InChIKey=YUNQZQREIHWDQT-UHFFFAOYSA-N

Data: 10 IC50 3 Kd

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50148549
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
Bromodomain-containing protein 1 (Homo sapiens (Human))	BDBM50148549 (4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.4	25
Oxford University					Assay Description Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...				ACS Chem Biol 12: 2619-2630 (2017) Article DOI: 10.1021/acschembio.7b00481 BindingDB Entry DOI: 10.7270/Q2HM56MX
Oxford University					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50148549 (4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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	25
Oxford University					Assay Description Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...				ACS Chem Biol 12: 2619-2630 (2017) Article DOI: 10.1021/acschembio.7b00481 BindingDB Entry DOI: 10.7270/Q2HM56MX
Oxford University					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50148549 (4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	7.4	25
Oxford University					Assay Description Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...				ACS Chem Biol 12: 2619-2630 (2017) Article DOI: 10.1021/acschembio.7b00481 BindingDB Entry DOI: 10.7270/Q2HM56MX
Oxford University					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription intermediary factor 1-alpha (Homo sapiens (Human))	BDBM50148549 (4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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	25
Oxford University					Assay Description Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...				ACS Chem Biol 12: 2619-2630 (2017) Article DOI: 10.1021/acschembio.7b00481 BindingDB Entry DOI: 10.7270/Q2HM56MX
Oxford University					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50148549 (4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BRPF1B (unknown origin) by Alpha Screen assay				J Med Chem 59: 1642-7 (2016) BindingDB Entry DOI: 10.7270/Q2JS9S9G
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 1 (Homo sapiens (Human))	BDBM50148549 (4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay				J Med Chem 59: 1642-7 (2016) BindingDB Entry DOI: 10.7270/Q2JS9S9G
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peregrin (Homo sapiens (Human))	BDBM50148549 (4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL									J Med Chem 60: 4002-4022 (2017) Article DOI: 10.1021/acs.jmedchem.7b00306 BindingDB Entry DOI: 10.7270/Q2XG9TKS
Bayer AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain and PHD finger-containing protein 3 (Homo sapiens (Human))	BDBM50148549 (4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to BRPF3 (unknown origin) by isothermal titration calorimetric analysis				J Med Chem 59: 1271-98 (2016) BindingDB Entry DOI: 10.7270/Q2X92D6H
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain-containing protein 1 (Homo sapiens (Human))	BDBM50148549 (4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to BRPF2 (unknown origin) by isothermal titration calorimetric analysis				J Med Chem 59: 1271-98 (2016) BindingDB Entry DOI: 10.7270/Q2X92D6H
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 1 (Homo sapiens (Human))	BDBM50148549 (4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL									J Med Chem 60: 4002-4022 (2017) Article DOI: 10.1021/acs.jmedchem.7b00306 BindingDB Entry DOI: 10.7270/Q2XG9TKS
Bayer AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 1 (Homo sapiens (Human))	BDBM50148549 (4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL									J Med Chem 60: 4002-4022 (2017) Article DOI: 10.1021/acs.jmedchem.7b00306 BindingDB Entry DOI: 10.7270/Q2XG9TKS
Bayer AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peregrin (Homo sapiens (Human))	BDBM50148549 (4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	383	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL									J Med Chem 60: 4002-4022 (2017) Article DOI: 10.1021/acs.jmedchem.7b00306 BindingDB Entry DOI: 10.7270/Q2XG9TKS
Bayer AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peregrin (Homo sapiens (Human))	BDBM50148549 (4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to BRPF1B (unknown origin) by isothermal titration calorimetric analysis				J Med Chem 59: 1271-98 (2016) BindingDB Entry DOI: 10.7270/Q2X92D6H
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)