BDBM50387969 CHEMBL2057826

SMILES: Nc1ccc(cc1NC(=O)c1cc(CN=[N+]=[N-])cc(c1)N=[N+]=[N-])-c1ccccc1

InChI Key: InChIKey=YMJGCDMKYAKFCD-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 = 50387969   

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))	BDBM50387969 (CHEMBL2057826) Show SMILES Nc1ccc(cc1NC(=O)c1cc(CN=[N+]=[N-])cc(c1)N=[N+]=[N-])-c1ccccc1 Show InChI InChI=1S/C20H16N8O/c21-18-7-6-15(14-4-2-1-3-5-14)11-19(18)25-20(29)16-8-13(12-24-27-22)9-17(10-16)26-28-23/h1-11H,12,21H2,(H,25,29)	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	2.10E+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))	BDBM50387969 (CHEMBL2057826) Show SMILES Nc1ccc(cc1NC(=O)c1cc(CN=[N+]=[N-])cc(c1)N=[N+]=[N-])-c1ccccc1 Show InChI InChI=1S/C20H16N8O/c21-18-7-6-15(14-4-2-1-3-5-14)11-19(18)25-20(29)16-8-13(12-24-27-22)9-17(10-16)26-28-23/h1-11H,12,21H2,(H,25,29)	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	1.30E+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 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))	BDBM50387969 (CHEMBL2057826) Show SMILES Nc1ccc(cc1NC(=O)c1cc(CN=[N+]=[N-])cc(c1)N=[N+]=[N-])-c1ccccc1 Show InChI InChI=1S/C20H16N8O/c21-18-7-6-15(14-4-2-1-3-5-14)11-19(18)25-20(29)16-8-13(12-24-27-22)9-17(10-16)26-28-23/h1-11H,12,21H2,(H,25,29)	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	1.00E+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 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))	BDBM50387969 (CHEMBL2057826) Show SMILES Nc1ccc(cc1NC(=O)c1cc(CN=[N+]=[N-])cc(c1)N=[N+]=[N-])-c1ccccc1 Show InChI InChI=1S/C20H16N8O/c21-18-7-6-15(14-4-2-1-3-5-14)11-19(18)25-20(29)16-8-13(12-24-27-22)9-17(10-16)26-28-23/h1-11H,12,21H2,(H,25,29)	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	2.10E+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 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))	BDBM50387969 (CHEMBL2057826) Show SMILES Nc1ccc(cc1NC(=O)c1cc(CN=[N+]=[N-])cc(c1)N=[N+]=[N-])-c1ccccc1 Show InChI InChI=1S/C20H16N8O/c21-18-7-6-15(14-4-2-1-3-5-14)11-19(18)25-20(29)16-8-13(12-24-27-22)9-17(10-16)26-28-23/h1-11H,12,21H2,(H,25,29)	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	3.20E+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