BDBM50014160 CHEMBL3260857

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

InChI Key: InChIKey=CGTALJWGXQTLPE-RXMQYKEDSA-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 = 50014160   

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)	BDBM50014160 (CHEMBL3260857) Show SMILES C[C@@H](NC(=O)c1cccc(=S)n1O)C(O)=O |r| Show InChI InChI=1S/C9H10N2O4S/c1-5(9(13)14)10-8(12)6-3-2-4-7(16)11(6)15/h2-5,15H,1H3,(H,10,12)(H,13,14)/t5-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.84E+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))	BDBM50014160 (CHEMBL3260857) Show SMILES C[C@@H](NC(=O)c1cccc(=S)n1O)C(O)=O |r| Show InChI InChI=1S/C9H10N2O4S/c1-5(9(13)14)10-8(12)6-3-2-4-7(16)11(6)15/h2-5,15H,1H3,(H,10,12)(H,13,14)/t5-/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	4.00E+5	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))	BDBM50014160 (CHEMBL3260857) Show SMILES C[C@@H](NC(=O)c1cccc(=S)n1O)C(O)=O |r| Show InChI InChI=1S/C9H10N2O4S/c1-5(9(13)14)10-8(12)6-3-2-4-7(16)11(6)15/h2-5,15H,1H3,(H,10,12)(H,13,14)/t5-/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	2.70E+5	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 4 (Homo sapiens (Human))	BDBM50014160 (CHEMBL3260857) Show SMILES C[C@@H](NC(=O)c1cccc(=S)n1O)C(O)=O |r| Show InChI InChI=1S/C9H10N2O4S/c1-5(9(13)14)10-8(12)6-3-2-4-7(16)11(6)15/h2-5,15H,1H3,(H,10,12)(H,13,14)/t5-/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	1.00E+5	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 5 (Homo sapiens (Human))	BDBM50014160 (CHEMBL3260857) Show SMILES C[C@@H](NC(=O)c1cccc(=S)n1O)C(O)=O |r| Show InChI InChI=1S/C9H10N2O4S/c1-5(9(13)14)10-8(12)6-3-2-4-7(16)11(6)15/h2-5,15H,1H3,(H,10,12)(H,13,14)/t5-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70E+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 7 (Homo sapiens (Human))	BDBM50014160 (CHEMBL3260857) Show SMILES C[C@@H](NC(=O)c1cccc(=S)n1O)C(O)=O |r| Show InChI InChI=1S/C9H10N2O4S/c1-5(9(13)14)10-8(12)6-3-2-4-7(16)11(6)15/h2-5,15H,1H3,(H,10,12)(H,13,14)/t5-/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	5.00E+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 8 (Homo sapiens (Human))	BDBM50014160 (CHEMBL3260857) Show SMILES C[C@@H](NC(=O)c1cccc(=S)n1O)C(O)=O |r| Show InChI InChI=1S/C9H10N2O4S/c1-5(9(13)14)10-8(12)6-3-2-4-7(16)11(6)15/h2-5,15H,1H3,(H,10,12)(H,13,14)/t5-/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	980	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 9 (Homo sapiens (Human))	BDBM50014160 (CHEMBL3260857) Show SMILES C[C@@H](NC(=O)c1cccc(=S)n1O)C(O)=O |r| Show InChI InChI=1S/C9H10N2O4S/c1-5(9(13)14)10-8(12)6-3-2-4-7(16)11(6)15/h2-5,15H,1H3,(H,10,12)(H,13,14)/t5-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.80E+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))	BDBM50014160 (CHEMBL3260857) Show SMILES C[C@@H](NC(=O)c1cccc(=S)n1O)C(O)=O |r| Show InChI InChI=1S/C9H10N2O4S/c1-5(9(13)14)10-8(12)6-3-2-4-7(16)11(6)15/h2-5,15H,1H3,(H,10,12)(H,13,14)/t5-/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	4.20E+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