Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50387968   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50387968 (CHEMBL2057825) Show SMILES Nc1ccc(cc1NC(=O)c1cc(CN=[N+]=[N-])cc(c1)N=[N+]=[N-])-c1cccs1 Show InChI InChI=1S/C18H14N8OS/c19-15-4-3-12(17-2-1-5-28-17)9-16(15)23-18(27)13-6-11(10-22-25-20)7-14(8-13)24-26-21/h1-9H,10,19H2,(H,23,27)	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	1.40E+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))	BDBM50387968 (CHEMBL2057825) Show SMILES Nc1ccc(cc1NC(=O)c1cc(CN=[N+]=[N-])cc(c1)N=[N+]=[N-])-c1cccs1 Show InChI InChI=1S/C18H14N8OS/c19-15-4-3-12(17-2-1-5-28-17)9-16(15)23-18(27)13-6-11(10-22-25-20)7-14(8-13)24-26-21/h1-9H,10,19H2,(H,23,27)	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	2.40E+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 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))	BDBM50387968 (CHEMBL2057825) Show SMILES Nc1ccc(cc1NC(=O)c1cc(CN=[N+]=[N-])cc(c1)N=[N+]=[N-])-c1cccs1 Show InChI InChI=1S/C18H14N8OS/c19-15-4-3-12(17-2-1-5-28-17)9-16(15)23-18(27)13-6-11(10-22-25-20)7-14(8-13)24-26-21/h1-9H,10,19H2,(H,23,27)	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	5.20E+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))	BDBM50387968 (CHEMBL2057825) Show SMILES Nc1ccc(cc1NC(=O)c1cc(CN=[N+]=[N-])cc(c1)N=[N+]=[N-])-c1cccs1 Show InChI InChI=1S/C18H14N8OS/c19-15-4-3-12(17-2-1-5-28-17)9-16(15)23-18(27)13-6-11(10-22-25-20)7-14(8-13)24-26-21/h1-9H,10,19H2,(H,23,27)	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	5.60E+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 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))	BDBM50387968 (CHEMBL2057825) Show SMILES Nc1ccc(cc1NC(=O)c1cc(CN=[N+]=[N-])cc(c1)N=[N+]=[N-])-c1cccs1 Show InChI InChI=1S/C18H14N8OS/c19-15-4-3-12(17-2-1-5-28-17)9-16(15)23-18(27)13-6-11(10-22-25-20)7-14(8-13)24-26-21/h1-9H,10,19H2,(H,23,27)	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	1.80E+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 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