Compounds in cluster

6 similar compounds to monomer 31044

Wt: 303.3 BDBM50296071	Wt: 319.3 BDBM50296072	Wt: 331.3 BDBM50296050	Wt: 347.3 BDBM50296051	Wt: 354.1 BDBM50438915
Wt: 289.3 BDBM50438916

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50296071,50296072,50296050,50296051,50438915,50438916
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
Apurinic-apyrimidinic endonuclease 1 (APE-1) (Homo sapiens (Human))	BDBM50438915 (CHEMBL2420613) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1cc(Br)cs1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of APE-1 (unknown origin) using double-stranded AP-site containing DNA as substrate after 30 mins by fluorescence assay				J Med Chem 56: 6352-70 (2013) Article DOI: 10.1021/jm400568p BindingDB Entry DOI: 10.7270/Q2N017ZB
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1) (Homo sapiens (Human))	BDBM50438916 (CHEMBL2420612) Show SMILES Cc1csc(c1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of APE-1 (unknown origin) using double-stranded AP-site containing DNA as substrate after 30 mins by fluorescence assay				J Med Chem 56: 6352-70 (2013) Article DOI: 10.1021/jm400568p BindingDB Entry DOI: 10.7270/Q2N017ZB
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM50438915 (CHEMBL2420613) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1cc(Br)cs1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins				J Med Chem 56: 6352-70 (2013) Article DOI: 10.1021/jm400568p BindingDB Entry DOI: 10.7270/Q2N017ZB
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296072 (1-ethyl-6-methyl-3-(5-methylthiophen-2-yl)-5,7-dio...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
CytRx Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296050 (1-butyl-6-methyl-3-(5-methylthiophen-2-yl)pyrimido...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
CytRx Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296051 (1-butyl-6-methyl-3-(5-methylthiophen-2-yl)-5,7-dio...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
CytRx Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296071 (1-ethyl-6-methyl-3-(5-methylthiophen-2-yl)pyrimido...) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(C)s1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
CytRx Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM50438916 (CHEMBL2420612) Show SMILES Cc1csc(c1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins				J Med Chem 56: 6352-70 (2013) Article DOI: 10.1021/jm400568p BindingDB Entry DOI: 10.7270/Q2N017ZB
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair