BDBM50387972 CHEMBL2057829

SMILES: Nc1ccc(cc1NC(=O)c1ccc(NC(=O)CCN=[N+]=[N-])cc1)N=[N+]=[N-]

InChI Key: InChIKey=JEWHRFZEWJASIE-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 = 50387972   

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
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM50387972 (CHEMBL2057829) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC(=O)CCN=[N+]=[N-])cc1)N=[N+]=[N-] Show InChI InChI=1S/C16H15N9O2/c17-13-6-5-12(23-25-19)9-14(13)22-16(27)10-1-3-11(4-2-10)21-15(26)7-8-20-24-18/h1-6,9H,7-8,17H2,(H,21,26)(H,22,27)	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	9.60E+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
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM50387972 (CHEMBL2057829) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC(=O)CCN=[N+]=[N-])cc1)N=[N+]=[N-] Show InChI InChI=1S/C16H15N9O2/c17-13-6-5-12(23-25-19)9-14(13)22-16(27)10-1-3-11(4-2-10)21-15(26)7-8-20-24-18/h1-6,9H,7-8,17H2,(H,21,26)(H,22,27)	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	5.50E+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
Cereblon/Histone deacetylase 2 (Homo sapiens (Human))	BDBM50387972 (CHEMBL2057829) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC(=O)CCN=[N+]=[N-])cc1)N=[N+]=[N-] Show InChI InChI=1S/C16H15N9O2/c17-13-6-5-12(23-25-19)9-14(13)22-16(27)10-1-3-11(4-2-10)21-15(26)7-8-20-24-18/h1-6,9H,7-8,17H2,(H,21,26)(H,22,27)	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	7.70E+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 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
Cereblon/Histone deacetylase 2 (Homo sapiens (Human))	BDBM50387972 (CHEMBL2057829) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC(=O)CCN=[N+]=[N-])cc1)N=[N+]=[N-] Show InChI InChI=1S/C16H15N9O2/c17-13-6-5-12(23-25-19)9-14(13)22-16(27)10-1-3-11(4-2-10)21-15(26)7-8-20-24-18/h1-6,9H,7-8,17H2,(H,21,26)(H,22,27)	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	9.40E+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
Cereblon/Histone deacetylase 2 (Homo sapiens (Human))	BDBM50387972 (CHEMBL2057829) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC(=O)CCN=[N+]=[N-])cc1)N=[N+]=[N-] Show InChI InChI=1S/C16H15N9O2/c17-13-6-5-12(23-25-19)9-14(13)22-16(27)10-1-3-11(4-2-10)21-15(26)7-8-20-24-18/h1-6,9H,7-8,17H2,(H,21,26)(H,22,27)	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	1.20E+5	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