BDBM19134 CHEMBL213934::tert-butyl N-[(1S)-1-(cyclopentylcarbamoyl)-6-sulfanylhexyl]carbamate::thiolate analogue, 16a

SMILES: CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1

InChI Key: InChIKey=IKSFNOMXHPMYIQ-AWEZNQCLSA-N

Data: 12 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 12 hits for monomerid = 19134   

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 6 (HDAC6) (Mus musculus)	BDBM19134 (CHEMBL213934 | tert-butyl N-[(1S)-1-(cyclopentylca...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C17H32N2O3S/c1-17(2,3)22-16(21)19-14(11-5-4-8-12-23)15(20)18-13-9-6-7-10-13/h13-14,23H,4-12H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	8.0	37
Nagoya City University					Assay Description The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...				J Med Chem 50: 5425-38 (2007) Article DOI: 10.1021/jm7009217 BindingDB Entry DOI: 10.7270/Q2XK8CT6
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19134 (CHEMBL213934 | tert-butyl N-[(1S)-1-(cyclopentylca...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C17H32N2O3S/c1-17(2,3)22-16(21)19-14(11-5-4-8-12-23)15(20)18-13-9-6-7-10-13/h13-14,23H,4-12H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/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	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	8.0	37
Nagoya City University					Assay Description The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...				J Med Chem 50: 5425-38 (2007) Article DOI: 10.1021/jm7009217 BindingDB Entry DOI: 10.7270/Q2XK8CT6
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM19134 (CHEMBL213934 | tert-butyl N-[(1S)-1-(cyclopentylca...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C17H32N2O3S/c1-17(2,3)22-16(21)19-14(11-5-4-8-12-23)15(20)18-13-9-6-7-10-13/h13-14,23H,4-12H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University					Assay Description The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...				J Med Chem 50: 5425-38 (2007) Article DOI: 10.1021/jm7009217 BindingDB Entry DOI: 10.7270/Q2XK8CT6
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM19134 (CHEMBL213934 | tert-butyl N-[(1S)-1-(cyclopentylca...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C17H32N2O3S/c1-17(2,3)22-16(21)19-14(11-5-4-8-12-23)15(20)18-13-9-6-7-10-13/h13-14,23H,4-12H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/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	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay				J Med Chem 57: 8358-77 (2014) Article DOI: 10.1021/jm5008209 BindingDB Entry DOI: 10.7270/Q2JW8GGN
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM19134 (CHEMBL213934 | tert-butyl N-[(1S)-1-(cyclopentylca...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C17H32N2O3S/c1-17(2,3)22-16(21)19-14(11-5-4-8-12-23)15(20)18-13-9-6-7-10-13/h13-14,23H,4-12H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/s1	PDB MMDB 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	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) using fluorogenic tetrapeptide RHK(Ac)K(Ac) substrate by fluorescence assay				J Med Chem 57: 8358-77 (2014) Article DOI: 10.1021/jm5008209 BindingDB Entry DOI: 10.7270/Q2JW8GGN
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM19134 (CHEMBL213934 | tert-butyl N-[(1S)-1-(cyclopentylca...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C17H32N2O3S/c1-17(2,3)22-16(21)19-14(11-5-4-8-12-23)15(20)18-13-9-6-7-10-13/h13-14,23H,4-12H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/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	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate by fluorometric analysis				Bioorg Med Chem Lett 20: 7067-70 (2010) Article DOI: 10.1016/j.bmcl.2010.09.100 BindingDB Entry DOI: 10.7270/Q2FN16FW
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM19134 (CHEMBL213934 | tert-butyl N-[(1S)-1-(cyclopentylca...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C17H32N2O3S/c1-17(2,3)22-16(21)19-14(11-5-4-8-12-23)15(20)18-13-9-6-7-10-13/h13-14,23H,4-12H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL					Assay Description Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay				J Med Chem 57: 8358-77 (2014) Article DOI: 10.1021/jm5008209 BindingDB Entry DOI: 10.7270/Q2JW8GGN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19134 (CHEMBL213934 | tert-butyl N-[(1S)-1-(cyclopentylca...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C17H32N2O3S/c1-17(2,3)22-16(21)19-14(11-5-4-8-12-23)15(20)18-13-9-6-7-10-13/h13-14,23H,4-12H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/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	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 49: 4809-12 (2006) Article DOI: 10.1021/jm060554y BindingDB Entry DOI: 10.7270/Q2M61JWX
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM19134 (CHEMBL213934 | tert-butyl N-[(1S)-1-(cyclopentylca...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C17H32N2O3S/c1-17(2,3)22-16(21)19-14(11-5-4-8-12-23)15(20)18-13-9-6-7-10-13/h13-14,23H,4-12H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/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	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 49: 4809-12 (2006) Article DOI: 10.1021/jm060554y BindingDB Entry DOI: 10.7270/Q2M61JWX
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM19134 (CHEMBL213934 | tert-butyl N-[(1S)-1-(cyclopentylca...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C17H32N2O3S/c1-17(2,3)22-16(21)19-14(11-5-4-8-12-23)15(20)18-13-9-6-7-10-13/h13-14,23H,4-12H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of HDAC4				J Med Chem 49: 4809-12 (2006) Article DOI: 10.1021/jm060554y BindingDB Entry DOI: 10.7270/Q2M61JWX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19134 (CHEMBL213934 | tert-butyl N-[(1S)-1-(cyclopentylca...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C17H32N2O3S/c1-17(2,3)22-16(21)19-14(11-5-4-8-12-23)15(20)18-13-9-6-7-10-13/h13-14,23H,4-12H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/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	Article PubMed	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Cbz-Lys(TFAc)-AMC as substrate by fluorometric analysis				Bioorg Med Chem Lett 20: 7067-70 (2010) Article DOI: 10.1016/j.bmcl.2010.09.100 BindingDB Entry DOI: 10.7270/Q2FN16FW
					More data for this Ligand-Target Pair
Histone deacetylase 10 (Homo sapiens (Human))	BDBM19134 (CHEMBL213934 | tert-butyl N-[(1S)-1-(cyclopentylca...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C17H32N2O3S/c1-17(2,3)22-16(21)19-14(11-5-4-8-12-23)15(20)18-13-9-6-7-10-13/h13-14,23H,4-12H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL					Assay Description Inhibition of HDAC10 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay				J Med Chem 57: 8358-77 (2014) Article DOI: 10.1021/jm5008209 BindingDB Entry DOI: 10.7270/Q2JW8GGN
					More data for this Ligand-Target Pair