BDBM50387966 CHEMBL2057820

SMILES: Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccc(c2)N=[N+]=[N-])cc1)-c1ccccc1

InChI Key: InChIKey=NYDFDOYGLBMQBE-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 = 50387966   

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 2 (Homo sapiens (Human))	BDBM50387966 (CHEMBL2057820) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccc(c2)N=[N+]=[N-])cc1)-c1ccccc1 Show InChI InChI=1S/C28H24N6O3/c29-25-14-13-23(21-6-2-1-3-7-21)16-26(25)32-27(35)22-11-9-19(10-12-22)17-31-28(36)37-18-20-5-4-8-24(15-20)33-34-30/h1-16H,17-18,29H2,(H,31,36)(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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 1 (Homo sapiens (Human))	BDBM50387966 (CHEMBL2057820) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccc(c2)N=[N+]=[N-])cc1)-c1ccccc1 Show InChI InChI=1S/C28H24N6O3/c29-25-14-13-23(21-6-2-1-3-7-21)16-26(25)32-27(35)22-11-9-19(10-12-22)17-31-28(36)37-18-20-5-4-8-24(15-20)33-34-30/h1-16H,17-18,29H2,(H,31,36)(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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 2 (Homo sapiens (Human))	BDBM50387966 (CHEMBL2057820) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccc(c2)N=[N+]=[N-])cc1)-c1ccccc1 Show InChI InChI=1S/C28H24N6O3/c29-25-14-13-23(21-6-2-1-3-7-21)16-26(25)32-27(35)22-11-9-19(10-12-22)17-31-28(36)37-18-20-5-4-8-24(15-20)33-34-30/h1-16H,17-18,29H2,(H,31,36)(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	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))	BDBM50387966 (CHEMBL2057820) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccc(c2)N=[N+]=[N-])cc1)-c1ccccc1 Show InChI InChI=1S/C28H24N6O3/c29-25-14-13-23(21-6-2-1-3-7-21)16-26(25)32-27(35)22-11-9-19(10-12-22)17-31-28(36)37-18-20-5-4-8-24(15-20)33-34-30/h1-16H,17-18,29H2,(H,31,36)(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50387966 (CHEMBL2057820) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccc(c2)N=[N+]=[N-])cc1)-c1ccccc1 Show InChI InChI=1S/C28H24N6O3/c29-25-14-13-23(21-6-2-1-3-7-21)16-26(25)32-27(35)22-11-9-19(10-12-22)17-31-28(36)37-18-20-5-4-8-24(15-20)33-34-30/h1-16H,17-18,29H2,(H,31,36)(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	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