BDBM25173 [5-(2,3-dihydro-1H-indol-1-ylcarbonyl)thiophen-2-yl](dihydroxyboranyl)methanone::thiophene derivative, 16h

SMILES: OB(O)C(=O)c1ccc(s1)C(=O)N1CCc2ccccc12

InChI Key: InChIKey=AEMKXZKAFWAYEI-UHFFFAOYSA-N

Data: 5 Other

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 = 25173   

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 (Homo sapiens (Human))	BDBM25173 ([5-(2,3-dihydro-1H-indol-1-ylcarbonyl)thiophen-2-y...) Show SMILES OB(O)C(=O)c1ccc(s1)C(=O)N1CCc2ccccc12 Show InChI InChI=1S/C14H12BNO4S/c17-13(15(19)20)11-5-6-12(21-11)14(18)16-8-7-9-3-1-2-4-10(9)16/h1-6,19-20H,7-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	25
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...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM25173 ([5-(2,3-dihydro-1H-indol-1-ylcarbonyl)thiophen-2-y...) Show SMILES OB(O)C(=O)c1ccc(s1)C(=O)N1CCc2ccccc12 Show InChI InChI=1S/C14H12BNO4S/c17-13(15(19)20)11-5-6-12(21-11)14(18)16-8-7-9-3-1-2-4-10(9)16/h1-6,19-20H,7-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	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...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM25173 ([5-(2,3-dihydro-1H-indol-1-ylcarbonyl)thiophen-2-y...) Show SMILES OB(O)C(=O)c1ccc(s1)C(=O)N1CCc2ccccc12 Show InChI InChI=1S/C14H12BNO4S/c17-13(15(19)20)11-5-6-12(21-11)14(18)16-8-7-9-3-1-2-4-10(9)16/h1-6,19-20H,7-8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	25
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...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 4 [653-1084,H976Y] (Homo sapiens (Human))	BDBM25173 ([5-(2,3-dihydro-1H-indol-1-ylcarbonyl)thiophen-2-y...) Show SMILES OB(O)C(=O)c1ccc(s1)C(=O)N1CCc2ccccc12 Show InChI InChI=1S/C14H12BNO4S/c17-13(15(19)20)11-5-6-12(21-11)14(18)16-8-7-9-3-1-2-4-10(9)16/h1-6,19-20H,7-8H2	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	25
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...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM25173 ([5-(2,3-dihydro-1H-indol-1-ylcarbonyl)thiophen-2-y...) Show SMILES OB(O)C(=O)c1ccc(s1)C(=O)N1CCc2ccccc12 Show InChI InChI=1S/C14H12BNO4S/c17-13(15(19)20)11-5-6-12(21-11)14(18)16-8-7-9-3-1-2-4-10(9)16/h1-6,19-20H,7-8H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	25
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...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair