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: 9 IC50  3 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 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	koff s-1	kon M-1s-1	pH	Temp °C
Bromodomain-containing protein 1 (Homo sapiens (Human))	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB 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
					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 COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB 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
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB 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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain and PHD finger-containing protein 3 (Homo sapiens (Human))	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB 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
					More data for this Ligand-Target Pair
Transcription intermediary factor 1-alpha (Homo sapiens (Human))	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB 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
					More data for this Ligand-Target Pair
Bromodomain-containing protein 1 (Homo sapiens (Human))	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	315	n/a	n/a	n/a	n/a	n/a	n/a
UCL School of Pharmacy, University College London , 29/39 Brunswick Square, London WC1N 1AX, U.K. Curated by ChEMBL					Assay Description Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...				J Med Chem 60: 6998-7011 (2017) Article DOI: 10.1021/acs.jmedchem.7b00611 BindingDB Entry DOI: 10.7270/Q2P55QZP
					More data for this Ligand-Target Pair
Bromodomain-containing protein 1 (Homo sapiens (Human))	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	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) BindingDB Entry DOI: 10.7270/Q2X92D6H
					More data for this Ligand-Target Pair
Bromodomain and PHD finger-containing protein 3 (Homo sapiens (Human))	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	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) BindingDB Entry DOI: 10.7270/Q2X92D6H
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCL School of Pharmacy, University College London , 29/39 Brunswick Square, London WC1N 1AX, U.K. Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				J Med Chem 60: 6998-7011 (2017) Article DOI: 10.1021/acs.jmedchem.7b00611 BindingDB Entry DOI: 10.7270/Q2P55QZP
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
UCL School of Pharmacy, University College London , 29/39 Brunswick Square, London WC1N 1AX, U.K. Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				J Med Chem 60: 6998-7011 (2017) Article DOI: 10.1021/acs.jmedchem.7b00611 BindingDB Entry DOI: 10.7270/Q2P55QZP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain and PHD finger-containing protein 3 (Homo sapiens (Human))	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCL School of Pharmacy, University College London , 29/39 Brunswick Square, London WC1N 1AX, U.K. Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				J Med Chem 60: 6998-7011 (2017) Article DOI: 10.1021/acs.jmedchem.7b00611 BindingDB Entry DOI: 10.7270/Q2P55QZP
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB 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) BindingDB Entry DOI: 10.7270/Q2X92D6H
					More data for this Ligand-Target Pair				3D Structure (crystal)