BDBM50443249 ISCHEMIN::Ischemin

SMILES: Cc1cc(N=Nc2cc(c(C)cc2C)S(O)(=O)=O)c(N)cc1O

InChI Key: InChIKey=UUECJWRVDTUDCB-UHFFFAOYSA-N

Data: 2 KI  2 IC50

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 4 hits for monomerid = 50443249   

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 4 (Homo sapiens (Human))	BDBM50443249 (ISCHEMIN | Ischemin) Show SMILES Cc1cc(N=Nc2cc(c(C)cc2C)S(O)(=O)=O)c(N)cc1O |w:5.5| Show InChI InChI=1S/C15H17N3O4S/c1-8-4-10(3)15(23(20,21)22)7-12(8)17-18-13-5-9(2)14(19)6-11(13)16/h4-7,19H,16H2,1-3H3,(H,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled MS574 from recombinant human BRD4 BrD1 after 1 hr by fluorescence anisotropy assay				J Med Chem 56: 9251-64 (2013) Article DOI: 10.1021/jm401334s BindingDB Entry DOI: 10.7270/Q2ZW1NCF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50443249 (ISCHEMIN | Ischemin) Show SMILES Cc1cc(N=Nc2cc(c(C)cc2C)S(O)(=O)=O)c(N)cc1O |w:5.5| Show InChI InChI=1S/C15H17N3O4S/c1-8-4-10(3)15(23(20,21)22)7-12(8)17-18-13-5-9(2)14(19)6-11(13)16/h4-7,19H,16H2,1-3H3,(H,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled MS574 from recombinant human BRD4 BrD2 after 1 hr by fluorescence anisotropy assay				J Med Chem 56: 9251-64 (2013) Article DOI: 10.1021/jm401334s BindingDB Entry DOI: 10.7270/Q2ZW1NCF
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50443249 (ISCHEMIN | Ischemin) Show SMILES Cc1cc(N=Nc2cc(c(C)cc2C)S(O)(=O)=O)c(N)cc1O |w:5.5| Show InChI InChI=1S/C15H17N3O4S/c1-8-4-10(3)15(23(20,21)22)7-12(8)17-18-13-5-9(2)14(19)6-11(13)16/h4-7,19H,16H2,1-3H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of p53-CBP bromodomain interaction in human U2OS cells assessed as inhibition of p21 activation incubated overnight followed by doxorubici...				J Med Chem 59: 1249-70 (2016) BindingDB Entry DOI: 10.7270/Q2DV1MRN
					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM50443249 (ISCHEMIN | Ischemin) Show SMILES Cc1cc(N=Nc2cc(c(C)cc2C)S(O)(=O)=O)c(N)cc1O |w:5.5| Show InChI InChI=1S/C15H17N3O4S/c1-8-4-10(3)15(23(20,21)22)7-12(8)17-18-13-5-9(2)14(19)6-11(13)16/h4-7,19H,16H2,1-3H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Z£rich Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...				J Med Chem 59: 1340-9 (2016) BindingDB Entry DOI: 10.7270/Q22J6DRV
					More data for this Ligand-Target Pair				3D Structure (crystal)