BDBM19158 (3S,9S,14aR)-9-benzyl-3-(7-bromo-6-oxoheptyl)-6,6-dimethyl-tetradecahydropyrrolo[1,2-a][,,,]cyclododecane-1,4,7,10-tetrone::chlamydocin-bromomethylketone analog, 4

SMILES: CC1(C)NC(=O)[C@H](CCCCCC(=O)CBr)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O

InChI Key: InChIKey=JVGKFKCLINQLIO-FDFHNCONSA-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 = 19158   

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 1 (Homo sapiens (Human))	BDBM19158 ((3S,9S,14aR)-9-benzyl-3-(7-bromo-6-oxoheptyl)-6,6-...) Show SMILES CC1(C)NC(=O)[C@H](CCCCCC(=O)CBr)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |r| Show InChI InChI=1S/C27H37BrN4O5/c1-27(2)26(37)30-21(16-18-10-5-3-6-11-18)25(36)32-15-9-14-22(32)24(35)29-20(23(34)31-27)13-8-4-7-12-19(33)17-28/h3,5-6,10-11,20-22H,4,7-9,12-17H2,1-2H3,(H,29,35)(H,30,37)(H,31,34)/t20-,21-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61.9	n/a	n/a	n/a	n/a	8.0	37
Kyushu Institute of Technology					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				Bioorg Med Chem 14: 3438-46 (2006) Article DOI: 10.1016/j.bmc.2005.12.063 BindingDB Entry DOI: 10.7270/Q2P55KRB
					More data for this Ligand-Target Pair
Histone Deacetylase 6 (HDAC6) (Mus musculus)	BDBM19158 ((3S,9S,14aR)-9-benzyl-3-(7-bromo-6-oxoheptyl)-6,6-...) Show SMILES CC1(C)NC(=O)[C@H](CCCCCC(=O)CBr)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |r| Show InChI InChI=1S/C27H37BrN4O5/c1-27(2)26(37)30-21(16-18-10-5-3-6-11-18)25(36)32-15-9-14-22(32)24(35)29-20(23(34)31-27)13-8-4-7-12-19(33)17-28/h3,5-6,10-11,20-22H,4,7-9,12-17H2,1-2H3,(H,29,35)(H,30,37)(H,31,34)/t20-,21-,22+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	621	n/a	n/a	n/a	n/a	8.0	37
Kyushu Institute of Technology					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				Bioorg Med Chem 14: 3438-46 (2006) Article DOI: 10.1016/j.bmc.2005.12.063 BindingDB Entry DOI: 10.7270/Q2P55KRB
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM19158 ((3S,9S,14aR)-9-benzyl-3-(7-bromo-6-oxoheptyl)-6,6-...) Show SMILES CC1(C)NC(=O)[C@H](CCCCCC(=O)CBr)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |r| Show InChI InChI=1S/C27H37BrN4O5/c1-27(2)26(37)30-21(16-18-10-5-3-6-11-18)25(36)32-15-9-14-22(32)24(35)29-20(23(34)31-27)13-8-4-7-12-19(33)17-28/h3,5-6,10-11,20-22H,4,7-9,12-17H2,1-2H3,(H,29,35)(H,30,37)(H,31,34)/t20-,21-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59.5	n/a	n/a	n/a	n/a	8.0	37
Kyushu Institute of Technology					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				Bioorg Med Chem 14: 3438-46 (2006) Article DOI: 10.1016/j.bmc.2005.12.063 BindingDB Entry DOI: 10.7270/Q2P55KRB
					More data for this Ligand-Target Pair