BindingDB PrimarySearch

null

SMILES: Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1

InChI Key: InChIKey=HRNLUBSXIHFDHP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 71 hits for monomerid = 24624
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Histone deacetylase 5 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NH2-terminal His6-tagged HDAC5 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00830 BindingDB Entry DOI: 10.7270/Q2F76H9K
TBA					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NH2-terminal His6-tagged HDAC4 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00830 BindingDB Entry DOI: 10.7270/Q2F76H9K
TBA					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NH2-terminal His-tagged HDAC8 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by subs...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00830 BindingDB Entry DOI: 10.7270/Q2F76H9K
TBA					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC6 (unknown origin) assessed as release of 7-amino-4-methylcoumarin incubated in room temperature for 15 min measured by Spectra max...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01155 BindingDB Entry DOI: 10.7270/Q2R49VN3
TBA					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc.					Assay Description The HDAC enzyme in vitro assay was based on a homogeneous fluorescence release assay. Purified recombinant HDAC enzymes were incubated with compounds...				J Med Chem 51: 4072-5 (2008) Article DOI: 10.1021/jm800251w BindingDB Entry DOI: 10.7270/Q28P5XTT
MethylGene Inc.					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate				J Med Chem 55: 9891-9 (2012) Article DOI: 10.1021/jm301098e BindingDB Entry DOI: 10.7270/Q2WQ04XP
University of Illinois at Chicago Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc.					Assay Description The HDAC enzyme in vitro assay was based on a homogeneous fluorescence release assay. Purified recombinant HDAC enzymes were incubated with compounds...				J Med Chem 51: 4072-5 (2008) Article DOI: 10.1021/jm800251w BindingDB Entry DOI: 10.7270/Q28P5XTT
MethylGene Inc.					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc.					Assay Description The HDAC enzyme in vitro assay was based on a homogeneous fluorescence release assay. Purified recombinant HDAC enzymes were incubated with compounds...				J Med Chem 51: 4072-5 (2008) Article DOI: 10.1021/jm800251w BindingDB Entry DOI: 10.7270/Q28P5XTT
MethylGene Inc.					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois US Patent					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				US Patent US9751832 (2017) BindingDB Entry DOI: 10.7270/Q23T9KBR
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				J Med Chem 51: 196-218 (2008) BindingDB Entry DOI: 10.7270/Q2VD71RF
Vernalis (R&D) Ltd					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
KuDOS Pharmaceuticals Ltd.					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				J Med Chem 51: 6581-91 (2008) BindingDB Entry DOI: 10.7270/Q2BZ68CW
KuDOS Pharmaceuticals Ltd.					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Inhibition of HDAC8				J Med Chem 51: 1505-29 (2008) Article DOI: 10.1021/jm7011408 BindingDB Entry DOI: 10.7270/Q2M32WMT
Menarini Ricerche Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human ERG by automated Q-patch assay				J Med Chem 54: 4752-72 (2011) Article DOI: 10.1021/jm200388e BindingDB Entry DOI: 10.7270/Q23N24DW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human ERG by automated patch clamp assay				Bioorg Med Chem Lett 21: 4909-12 (2011) Article DOI: 10.1016/j.bmcl.2011.06.015 BindingDB Entry DOI: 10.7270/Q2542NZQ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 51: 1505-29 (2008) Article DOI: 10.1021/jm7011408 BindingDB Entry DOI: 10.7270/Q2M32WMT
Menarini Ricerche Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...				J Med Chem 58: 6803-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 4 [653-1084,H976Y] (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.5	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: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
IRBM/Merck					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	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: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
IRBM/Merck					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 \| MGCD-0103 \| MGCD0103 \| N-(2-aminoph...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	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: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
IRBM/Merck					More data for this Ligand-Target Pair

<< First | Previous | Displayed 51 to 71 (of 71 total )