BDBM19135 CHEMBL209551::tert-butyl N-[(1S)-1-(cyclohexylcarbamoyl)-6-sulfanylhexyl]carbamate::thiolate analogue, 17a

SMILES: CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCC1

InChI Key: InChIKey=NREURQUIJSGJMZ-HNNXBMFYSA-N

Data: 6 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 6 hits for monomerid = 19135   

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)	BDBM19135 (CHEMBL209551 | tert-butyl N-[(1S)-1-(cyclohexylcar...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C18H34N2O3S/c1-18(2,3)23-17(22)20-15(12-8-5-9-13-24)16(21)19-14-10-6-4-7-11-14/h14-15,24H,4-13H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	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))	BDBM19135 (CHEMBL209551 | tert-butyl N-[(1S)-1-(cyclohexylcar...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C18H34N2O3S/c1-18(2,3)23-17(22)20-15(12-8-5-9-13-24)16(21)19-14-10-6-4-7-11-14/h14-15,24H,4-13H2,1-3H3,(H,19,21)(H,20,22)/t15-/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	1.27E+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))	BDBM19135 (CHEMBL209551 | tert-butyl N-[(1S)-1-(cyclohexylcar...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C18H34N2O3S/c1-18(2,3)23-17(22)20-15(12-8-5-9-13-24)16(21)19-14-10-6-4-7-11-14/h14-15,24H,4-13H2,1-3H3,(H,19,21)(H,20,22)/t15-/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	1.14E+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))	BDBM19135 (CHEMBL209551 | tert-butyl N-[(1S)-1-(cyclohexylcar...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C18H34N2O3S/c1-18(2,3)23-17(22)20-15(12-8-5-9-13-24)16(21)19-14-10-6-4-7-11-14/h14-15,24H,4-13H2,1-3H3,(H,19,21)(H,20,22)/t15-/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	1.27E+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))	BDBM19135 (CHEMBL209551 | tert-butyl N-[(1S)-1-(cyclohexylcar...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C18H34N2O3S/c1-18(2,3)23-17(22)20-15(12-8-5-9-13-24)16(21)19-14-10-6-4-7-11-14/h14-15,24H,4-13H2,1-3H3,(H,19,21)(H,20,22)/t15-/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	36	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))	BDBM19135 (CHEMBL209551 | tert-butyl N-[(1S)-1-(cyclohexylcar...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C18H34N2O3S/c1-18(2,3)23-17(22)20-15(12-8-5-9-13-24)16(21)19-14-10-6-4-7-11-14/h14-15,24H,4-13H2,1-3H3,(H,19,21)(H,20,22)/t15-/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	1.14E+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