BindingDB PrimarySearch

BDBM50157570 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide::CHEMBL3752151::D0O6XT::GTPL8573::NI 57::NI-57

SMILES: COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N

InChI Key: InChIKey=UEMQPCYDWCSVCU-UHFFFAOYSA-N

Data: 5 IC50 3 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50157570
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)	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	619	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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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)	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	114	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
Bromodomain and PHD finger-containing protein 3 (Homo sapiens)	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	410	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) Article DOI: 10.1021/acs.jmedchem.5b01514 BindingDB Entry DOI: 10.7270/Q2X92D6H
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Transcription intermediary factor 1-alpha (Homo sapiens)	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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)	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	31	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) Article DOI: 10.1021/acs.jmedchem.5b01514 BindingDB Entry DOI: 10.7270/Q2X92D6H
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain-containing protein 1 (Homo sapiens)	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	110	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) Article DOI: 10.1021/acs.jmedchem.5b01514 BindingDB Entry DOI: 10.7270/Q2X92D6H
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain and PHD finger-containing protein 3 (Homo sapiens)	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.01E+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