BDBM25147 N-[(1S)-1-(6-chloro-1H-1,3-benzodiazol-2-yl)-7-oxooctyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide::benzimidazole analogue, 18

SMILES: COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)c3nc4ccc(Cl)cc4[nH]3)c2c1

InChI Key: InChIKey=AURHBCXEYHGOLZ-DEOSSOPVSA-N

Data: 5 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 5 hits for monomerid = 25147   

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))	BDBM25147 (N-[(1S)-1-(6-chloro-1H-1,3-benzodiazol-2-yl)-7-oxo...) Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)c3nc4ccc(Cl)cc4[nH]3)c2c1 |r| Show InChI InChI=1S/C27H31ClN4O3/c1-16(33)7-5-4-6-8-24(27-31-23-11-9-18(28)13-25(23)32-27)30-26(34)15-20-17(2)29-22-12-10-19(35-3)14-21(20)22/h9-14,24,29H,4-8,15H2,1-3H3,(H,30,34)(H,31,32)/t24-/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	670	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 51: 2350-3 (2008) Article DOI: 10.1021/jm800079s BindingDB Entry DOI: 10.7270/Q2W957H9
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM25147 (N-[(1S)-1-(6-chloro-1H-1,3-benzodiazol-2-yl)-7-oxo...) Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)c3nc4ccc(Cl)cc4[nH]3)c2c1 |r| Show InChI InChI=1S/C27H31ClN4O3/c1-16(33)7-5-4-6-8-24(27-31-23-11-9-18(28)13-25(23)32-27)30-26(34)15-20-17(2)29-22-12-10-19(35-3)14-21(20)22/h9-14,24,29H,4-8,15H2,1-3H3,(H,30,34)(H,31,32)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 51: 2350-3 (2008) Article DOI: 10.1021/jm800079s BindingDB Entry DOI: 10.7270/Q2W957H9
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM25147 (N-[(1S)-1-(6-chloro-1H-1,3-benzodiazol-2-yl)-7-oxo...) Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)c3nc4ccc(Cl)cc4[nH]3)c2c1 |r| Show InChI InChI=1S/C27H31ClN4O3/c1-16(33)7-5-4-6-8-24(27-31-23-11-9-18(28)13-25(23)32-27)30-26(34)15-20-17(2)29-22-12-10-19(35-3)14-21(20)22/h9-14,24,29H,4-8,15H2,1-3H3,(H,30,34)(H,31,32)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 51: 2350-3 (2008) Article DOI: 10.1021/jm800079s BindingDB Entry DOI: 10.7270/Q2W957H9
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM25147 (N-[(1S)-1-(6-chloro-1H-1,3-benzodiazol-2-yl)-7-oxo...) Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)c3nc4ccc(Cl)cc4[nH]3)c2c1 |r| Show InChI InChI=1S/C27H31ClN4O3/c1-16(33)7-5-4-6-8-24(27-31-23-11-9-18(28)13-25(23)32-27)30-26(34)15-20-17(2)29-22-12-10-19(35-3)14-21(20)22/h9-14,24,29H,4-8,15H2,1-3H3,(H,30,34)(H,31,32)/t24-/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	>1.00E+4	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 51: 2350-3 (2008) Article DOI: 10.1021/jm800079s BindingDB Entry DOI: 10.7270/Q2W957H9
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM25147 (N-[(1S)-1-(6-chloro-1H-1,3-benzodiazol-2-yl)-7-oxo...) Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)c3nc4ccc(Cl)cc4[nH]3)c2c1 |r| Show InChI InChI=1S/C27H31ClN4O3/c1-16(33)7-5-4-6-8-24(27-31-23-11-9-18(28)13-25(23)32-27)30-26(34)15-20-17(2)29-22-12-10-19(35-3)14-21(20)22/h9-14,24,29H,4-8,15H2,1-3H3,(H,30,34)(H,31,32)/t24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 51: 2350-3 (2008) Article DOI: 10.1021/jm800079s BindingDB Entry DOI: 10.7270/Q2W957H9
					More data for this Ligand-Target Pair