BDBM50387314 CHEMBL2046619

SMILES: CC(N1CCc2nc(sc2C1)C(=O)NO)c1ccc(NC(=O)CCC=C)nc1

InChI Key: InChIKey=WKJHHYTZCOBXBE-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50387314   

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 3 (Homo sapiens (Human))	BDBM50387314 (CHEMBL2046619) Show SMILES CC(N1CCc2nc(sc2C1)C(=O)NO)c1ccc(NC(=O)CCC=C)nc1 Show InChI InChI=1S/C19H23N5O3S/c1-3-4-5-17(25)22-16-7-6-13(10-20-16)12(2)24-9-8-14-15(11-24)28-19(21-14)18(26)23-27/h3,6-7,10,12,27H,1,4-5,8-9,11H2,2H3,(H,23,26)(H,20,22,25)	PDB 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	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged and GST-fuses HDAC3 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...				Bioorg Med Chem Lett 22: 4540-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.123 BindingDB Entry DOI: 10.7270/Q2ZC83XG
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50387314 (CHEMBL2046619) Show SMILES CC(N1CCc2nc(sc2C1)C(=O)NO)c1ccc(NC(=O)CCC=C)nc1 Show InChI InChI=1S/C19H23N5O3S/c1-3-4-5-17(25)22-16-7-6-13(10-20-16)12(2)24-9-8-14-15(11-24)28-19(21-14)18(26)23-27/h3,6-7,10,12,27H,1,4-5,8-9,11H2,2H3,(H,23,26)(H,20,22,25)	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	6.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged and GST-fuses HDAC1 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...				Bioorg Med Chem Lett 22: 4540-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.123 BindingDB Entry DOI: 10.7270/Q2ZC83XG
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50387314 (CHEMBL2046619) Show SMILES CC(N1CCc2nc(sc2C1)C(=O)NO)c1ccc(NC(=O)CCC=C)nc1 Show InChI InChI=1S/C19H23N5O3S/c1-3-4-5-17(25)22-16-7-6-13(10-20-16)12(2)24-9-8-14-15(11-24)28-19(21-14)18(26)23-27/h3,6-7,10,12,27H,1,4-5,8-9,11H2,2H3,(H,23,26)(H,20,22,25)	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	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged and GST-fuses HDAC6 expressed in insect High5 cells using Boc-Lys(eacetyl)- AMC as substrate after 3 hrs ...				Bioorg Med Chem Lett 22: 4540-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.123 BindingDB Entry DOI: 10.7270/Q2ZC83XG
					More data for this Ligand-Target Pair