BDBM50387971 CHEMBL2057828

SMILES: Nc1ccc(cc1NC(=O)c1ccc(OCCN=[N+]=[N-])c(c1)N=[N+]=[N-])-c1cccs1

InChI Key: InChIKey=WZDNHQNARAEMKS-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50387971   

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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50387971 (CHEMBL2057828) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(OCCN=[N+]=[N-])c(c1)N=[N+]=[N-])-c1cccs1 Show InChI InChI=1S/C19H16N8O2S/c20-14-5-3-12(18-2-1-9-30-18)10-15(14)24-19(28)13-4-6-17(16(11-13)25-27-22)29-8-7-23-26-21/h1-6,9-11H,7-8,20H2,(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 5 mins measured after 35 mins by spectrofl...				Bioorg Med Chem Lett 22: 5025-30 (2012) Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50387971 (CHEMBL2057828) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(OCCN=[N+]=[N-])c(c1)N=[N+]=[N-])-c1cccs1 Show InChI InChI=1S/C19H16N8O2S/c20-14-5-3-12(18-2-1-9-30-18)10-15(14)24-19(28)13-4-6-17(16(11-13)25-27-22)29-8-7-23-26-21/h1-6,9-11H,7-8,20H2,(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...				Bioorg Med Chem Lett 22: 5025-30 (2012) Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50387971 (CHEMBL2057828) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(OCCN=[N+]=[N-])c(c1)N=[N+]=[N-])-c1cccs1 Show InChI InChI=1S/C19H16N8O2S/c20-14-5-3-12(18-2-1-9-30-18)10-15(14)24-19(28)13-4-6-17(16(11-13)25-27-22)29-8-7-23-26-21/h1-6,9-11H,7-8,20H2,(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofl...				Bioorg Med Chem Lett 22: 5025-30 (2012) Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50387971 (CHEMBL2057828) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(OCCN=[N+]=[N-])c(c1)N=[N+]=[N-])-c1cccs1 Show InChI InChI=1S/C19H16N8O2S/c20-14-5-3-12(18-2-1-9-30-18)10-15(14)24-19(28)13-4-6-17(16(11-13)25-27-22)29-8-7-23-26-21/h1-6,9-11H,7-8,20H2,(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...				Bioorg Med Chem Lett 22: 5025-30 (2012) Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50387971 (CHEMBL2057828) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(OCCN=[N+]=[N-])c(c1)N=[N+]=[N-])-c1cccs1 Show InChI InChI=1S/C19H16N8O2S/c20-14-5-3-12(18-2-1-9-30-18)10-15(14)24-19(28)13-4-6-17(16(11-13)25-27-22)29-8-7-23-26-21/h1-6,9-11H,7-8,20H2,(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 5 mins measured after 35 mins by spectrofl...				Bioorg Med Chem Lett 22: 5025-30 (2012) Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT
					More data for this Ligand-Target Pair