BDBM50014161 CHEMBL3260858

SMILES: OC(=O)[C@H](NC(=O)c1cccc(=S)n1O)c1ccccc1

InChI Key: InChIKey=MUTGTTZIVAJIJK-GFCCVEGCSA-N

Data: 1 KI  8 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 9 hits for monomerid = 50014161   

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
D-alanyl-D-alanine dipeptidase (Enterococcus faecium)	BDBM50014161 (CHEMBL3260858) Show SMILES OC(=O)[C@H](NC(=O)c1cccc(=S)n1O)c1ccccc1 |r| Show InChI InChI=1S/C14H12N2O4S/c17-13(10-7-4-8-11(21)16(10)20)15-12(14(18)19)9-5-2-1-3-6-9/h1-8,12,20H,(H,15,17)(H,18,19)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecium VanX expressed in Escherichia coli BL21 (DE3) cells using D-alanyl-alpha-R-phenylthioglycine as substrate by color...				Bioorg Med Chem Lett 24: 2535-8 (2014) Article DOI: 10.1016/j.bmcl.2014.03.097 BindingDB Entry DOI: 10.7270/Q2B56M96
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50014161 (CHEMBL3260858) Show SMILES OC(=O)[C@H](NC(=O)c1cccc(=S)n1O)c1ccccc1 |r| Show InChI InChI=1S/C14H12N2O4S/c17-13(10-7-4-8-11(21)16(10)20)15-12(14(18)19)9-5-2-1-3-6-9/h1-8,12,20H,(H,15,17)(H,18,19)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assay				Bioorg Med Chem Lett 25: 4320-4 (2015) BindingDB Entry DOI: 10.7270/Q2930VZB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50014161 (CHEMBL3260858) Show SMILES OC(=O)[C@H](NC(=O)c1cccc(=S)n1O)c1ccccc1 |r| Show InChI InChI=1S/C14H12N2O4S/c17-13(10-7-4-8-11(21)16(10)20)15-12(14(18)19)9-5-2-1-3-6-9/h1-8,12,20H,(H,15,17)(H,18,19)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assay				Bioorg Med Chem Lett 25: 4320-4 (2015) BindingDB Entry DOI: 10.7270/Q2930VZB
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50014161 (CHEMBL3260858) Show SMILES OC(=O)[C@H](NC(=O)c1cccc(=S)n1O)c1ccccc1 |r| Show InChI InChI=1S/C14H12N2O4S/c17-13(10-7-4-8-11(21)16(10)20)15-12(14(18)19)9-5-2-1-3-6-9/h1-8,12,20H,(H,15,17)(H,18,19)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HDAC7 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC fluorogenic acetylated peptide substrate by fluorometric assay				Bioorg Med Chem Lett 25: 4320-4 (2015) BindingDB Entry DOI: 10.7270/Q2930VZB
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50014161 (CHEMBL3260858) Show SMILES OC(=O)[C@H](NC(=O)c1cccc(=S)n1O)c1ccccc1 |r| Show InChI InChI=1S/C14H12N2O4S/c17-13(10-7-4-8-11(21)16(10)20)15-12(14(18)19)9-5-2-1-3-6-9/h1-8,12,20H,(H,15,17)(H,18,19)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HDAC4 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC fluorogenic acetylated peptide substrate by fluorometric assay				Bioorg Med Chem Lett 25: 4320-4 (2015) BindingDB Entry DOI: 10.7270/Q2930VZB
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50014161 (CHEMBL3260858) Show SMILES OC(=O)[C@H](NC(=O)c1cccc(=S)n1O)c1ccccc1 |r| Show InChI InChI=1S/C14H12N2O4S/c17-13(10-7-4-8-11(21)16(10)20)15-12(14(18)19)9-5-2-1-3-6-9/h1-8,12,20H,(H,15,17)(H,18,19)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) using RHK(Ac)K(Ac) fluorogenic acetylated peptide substrate by fluorometric assay				Bioorg Med Chem Lett 25: 4320-4 (2015) BindingDB Entry DOI: 10.7270/Q2930VZB
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50014161 (CHEMBL3260858) Show SMILES OC(=O)[C@H](NC(=O)c1cccc(=S)n1O)c1ccccc1 |r| Show InChI InChI=1S/C14H12N2O4S/c17-13(10-7-4-8-11(21)16(10)20)15-12(14(18)19)9-5-2-1-3-6-9/h1-8,12,20H,(H,15,17)(H,18,19)/t12-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HDAC5 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC fluorogenic acetylated peptide substrate by fluorometric assay				Bioorg Med Chem Lett 25: 4320-4 (2015) BindingDB Entry DOI: 10.7270/Q2930VZB
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50014161 (CHEMBL3260858) Show SMILES OC(=O)[C@H](NC(=O)c1cccc(=S)n1O)c1ccccc1 |r| Show InChI InChI=1S/C14H12N2O4S/c17-13(10-7-4-8-11(21)16(10)20)15-12(14(18)19)9-5-2-1-3-6-9/h1-8,12,20H,(H,15,17)(H,18,19)/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HDAC9 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC fluorogenic acetylated peptide substrate by fluorometric assay				Bioorg Med Chem Lett 25: 4320-4 (2015) BindingDB Entry DOI: 10.7270/Q2930VZB
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50014161 (CHEMBL3260858) Show SMILES OC(=O)[C@H](NC(=O)c1cccc(=S)n1O)c1ccccc1 |r| Show InChI InChI=1S/C14H12N2O4S/c17-13(10-7-4-8-11(21)16(10)20)15-12(14(18)19)9-5-2-1-3-6-9/h1-8,12,20H,(H,15,17)(H,18,19)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assay				Bioorg Med Chem Lett 25: 4320-4 (2015) BindingDB Entry DOI: 10.7270/Q2930VZB
					More data for this Ligand-Target Pair