Compile Data Set for Download or QSAR

Found 1503 hits with Last Name = 'jones' and Initial = 'kg'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 5 (Homo sapiens (Human))	BDBM504572 ((S)-5-(Benzo[d]oxazol-2-yl)-4-(4-(5-(trifluorometh...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)N1[C@@H](COCC1=O)c1nc2ccccc2o1 |r| Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC5 reagents: N-terminal GST tagged HDAC5 was purchased from BPS Bioscience [catalog #50045]. Assays were performed with buffer containing 20 mM HE...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504755 (2-(((5-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)p...) Show SMILES NC(=O)c1ccccc1NCc1ccc(cn1)-c1noc(n1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM504735 ((R)-4-(2,5- difluoro-4-(5- (trifluoromethyl)- 1,2,...) Show SMILES Fc1cc(-c2noc(n2)C(F)(F)F)c(F)cc1N1[C@@H](COCC1=O)c1ccccc1 |r| Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC5 reagents: N-terminal GST tagged HDAC5 was purchased from BPS Bioscience [catalog #50045]. Assays were performed with buffer containing 20 mM HE...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504971 (N-({5-[5- (trifluoro- methyl)- 1,2,4-oxa- diazol-3...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(CNc2ccc3ccncc3c2)nc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM505072 (1-({5-[5- (trifluoro- methyl)- 1,2,4-oxa- diazol-3...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(Cn2c3ccccc3[nH]c(=O)c2=O)nc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM505023 (4-(methoxy- methyl)- 1-({5-[5- (trifluoro- methyl)...) Show SMILES COCc1cc(=O)n(Cc2ccc(cn2)-c2noc(n2)C(F)(F)F)c2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504913 (6-fluoro- 1-({5-[5- (trifluoro- methyl)- 1,2,4-oxa...) Show SMILES Fc1ccc2N(Cc3ccc(cn3)-c3noc(n3)C(F)(F)F)C(=O)CCc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504529 ((S)-1-(2,5-Difluoro-4-(5-(trifluoromethyl)-1,2,4-o...) Show SMILES Cc1noc(n1)[C@@H]1CCC(=O)N1c1cc(F)c(cc1F)-c1noc(n1)C(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16694 (1-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmeth...) Show SMILES CCC[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCC(C)C |r| Show InChI InChI=1S/C36H48FN5O5S/c1-7-11-33(36(45)39-22-24(2)3)38-23-31(18-26-12-9-8-10-13-26)41-35(44)29-19-28(20-32(21-29)42(5)48(6,46)47)34(43)40-25(4)27-14-16-30(37)17-15-27/h8-10,12-17,19-21,24-25,31,33,38H,7,11,18,22-23H2,1-6H3,(H,39,45)(H,40,43)(H,41,44)/t25-,31+,33+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	4.5	22
Merck Research Laboratories					Assay Description The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...				Bioorg Med Chem Lett 16: 3635-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.076 BindingDB Entry DOI: 10.7270/Q27P8WN0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504678 ((S)-5-(1H- benzo[d]imidazol- 2-yl)-1-(2-fluoro- 4-...) Show SMILES Fc1cc(ccc1N1[C@@H](CCC1=O)c1nc2ccccc2[nH]1)-c1noc(n1)C(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504919 (7-fluoro- 1-({5-[5- (trifluoro- methyl)- 1,2,4-oxa...) Show SMILES Fc1ccc2CCC(=O)N(Cc3ccc(cn3)-c3noc(n3)C(F)(F)F)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM505052 (3-[({5-[5- (trifluoro- methyl)- 1,2,4-oxa- diazol-...) Show SMILES NC(=O)c1cccc(NCc2ccc(cn2)-c2noc(n2)C(F)(F)F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM505048 (3-[({5-[5- (trifluoro- methyl)- 1,2,4-oxa- diazol-...) Show SMILES NC(=O)c1ncccc1NCc1ccc(cn1)-c1noc(n1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM505063 (1-({5-[5- (trifluoro- methyl)- 1,2,4-oxa- diazol-3...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(Cn2c3ccccc3ccc2=O)nc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM505049 (N-cyclo- propyl-2- [({5-[5- (trifluoro- methyl)- 1...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(CNc2ccccc2C(=O)NC2CC2)nc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504550 ((S)-5-(Benzo[d]oxazol-2-yl)-1-(2-fluoro-4-(5-(trif...) Show SMILES Fc1cc(ccc1N1[C@@H](CCC1=O)c1nc2ccccc2o1)-c1noc(n1)C(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504958 (3-(1,3- oxazol- 5-yl)- N-({5-[5- (trifluoro- methy...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(CNc2cccc(c2)-c2cnco2)nc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504543 ((S)-5-(3-(Pyridin-2-yl)-1,2,4-oxadiazol-5-yl)-1-(4...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)N1[C@@H](CCC1=O)c1nc(no1)-c1ccccn1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM504543 ((S)-5-(3-(Pyridin-2-yl)-1,2,4-oxadiazol-5-yl)-1-(4...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)N1[C@@H](CCC1=O)c1nc(no1)-c1ccccn1 |r| Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC5 reagents: N-terminal GST tagged HDAC5 was purchased from BPS Bioscience [catalog #50045]. Assays were performed with buffer containing 20 mM HE...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504691 (1-(2-fluoro-4-(5- (trifluoromethyl)- 1,2,4-oxadiaz...) Show SMILES Fc1ccccc1C1CCC(=O)N1c1ccc(cc1F)-c1noc(n1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504691 (1-(2-fluoro-4-(5- (trifluoromethyl)- 1,2,4-oxadiaz...) Show SMILES Fc1ccccc1C1CCC(=O)N1c1ccc(cc1F)-c1noc(n1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM505065 (4-({5-[5- (trifluoro- methyl)- 1,2,4-oxa- diazol-3...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(CN2C(=O)COc3ccccc23)nc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM505047 (N-methyl- 2-[({5-[5- (trifluoro- methyl)- 1,2,4-ox...) Show SMILES CNC(=O)c1ccccc1NCc1ccc(cn1)-c1noc(n1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504515 ((R)-4-(3-Fluoro-4-(5-(trifluoromethyl)-1,2,4-oxadi...) Show SMILES Fc1cc(ccc1-c1noc(n1)C(F)(F)F)N1[C@@H](COCC1=O)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504542 ((R)-3-(2,5-Difluoro-4-(5-(trifluoromethyl)-1,2,4-o...) Show SMILES Fc1cc(-c2noc(n2)C(F)(F)F)c(F)cc1N1[C@@H](COC1=O)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM505003 (N-(3-fluoro- phenyl)-2- methyl-N- ({5-[5- (trifluo...) Show SMILES Cc1ncc(cn1)C(=O)N(Cc1ccc(cn1)-c1noc(n1)C(F)(F)F)c1cccc(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504571 ((S)-5-(3-(Pyridin-2-yl)-1,2,4-oxadiazol-5-yl)-4-(4...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)N1[C@@H](COCC1=O)c1nc(no1)-c1ccccn1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504572 ((S)-5-(Benzo[d]oxazol-2-yl)-4-(4-(5-(trifluorometh...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)N1[C@@H](COCC1=O)c1nc2ccccc2o1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504889 (4-({5-[5- (trifluoro- methyl)- 1,2,4-oxa- diazol-3...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(COc2cccc3[nH]nnc23)nc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504582 (1-(2,5-difluoro-4- (5-(trifluoromethyl)- 1,2,4-oxa...) Show SMILES Fc1cc(-c2noc(n2)C(F)(F)F)c(F)cc1N1C(CCC1=O)c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504696 ((S)-5-(3-methyl- 1,2,4-oxadiazol-5- yl)-1-(4-(5- (...) Show SMILES Cc1noc(n1)[C@@H]1CCC(=O)N1c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504965 (3-(1H- 1,2,4- triazol-1-yl)- N-({5-[5- (trifluoro-...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(CNc2cccc(c2)-n2cncn2)nc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16693 (1-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmeth...) Show SMILES CC[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCC(C)C |r| Show InChI InChI=1S/C35H46FN5O5S/c1-7-32(35(44)38-21-23(2)3)37-22-30(17-25-11-9-8-10-12-25)40-34(43)28-18-27(19-31(20-28)41(5)47(6,45)46)33(42)39-24(4)26-13-15-29(36)16-14-26/h8-16,18-20,23-24,30,32,37H,7,17,21-22H2,1-6H3,(H,38,44)(H,39,42)(H,40,43)/t24-,30+,32+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	4.5	22
Merck Research Laboratories					Assay Description The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...				Bioorg Med Chem Lett 16: 3635-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.076 BindingDB Entry DOI: 10.7270/Q27P8WN0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM505043 (N-phenyl- 3-[({5-[5- (trifluoro- methyl)- 1,2,4-ox...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(CNc2cccc(c2)C(=O)Nc2ccccc2)nc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM504874 (8-fluoro- 2-({3- fluoro-4-[5- (trifluoro- methyl)-...) Show SMILES Fc1cc(COc2ccc3cccc(F)c3n2)ccc1-c1noc(n1)C(F)(F)F Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC5 reagents: N-terminal GST tagged HDAC5 was purchased from BPS Bioscience [catalog #50045]. Assays were performed with buffer containing 20 mM HE...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM504529 ((S)-1-(2,5-Difluoro-4-(5-(trifluoromethyl)-1,2,4-o...) Show SMILES Cc1noc(n1)[C@@H]1CCC(=O)N1c1cc(F)c(cc1F)-c1noc(n1)C(F)(F)F |r| Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC5 reagents: N-terminal GST tagged HDAC5 was purchased from BPS Bioscience [catalog #50045]. Assays were performed with buffer containing 20 mM HE...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504676 ((S)-5- (benzo[d]oxazol- 2-yl)-1-(4-(5- (trifluorom...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)N1[C@@H](CCC1=O)c1nc2ccccc2o1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504526 (US11066396, Example 8 | tert-Butyl(S)-1-(2,5-diflu...) Show SMILES CC(C)(C)OC(=O)[C@@H]1CCC(=O)N1c1cc(F)c(cc1F)-c1noc(n1)C(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504686 ((S)-5-(3-(pyridin-3- yl)-1,2,4-oxadiazol- 5-yl)-1-...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)N1[C@@H](CCC1=O)c1nc(no1)-c1cccnc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504586 (6-(3-phenyl-1,2,4- oxadiazol-5-yl)-1- (4-(5- (trif...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)N1C(CCCC1=O)c1nc(no1)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504621 (N-(3- fluorophenyl)-2- isopropyl-N-((5- (5-(triflu...) Show SMILES CC(C)c1ncc(cn1)C(=O)N(Cc1ccc(cn1)-c1noc(n1)C(F)(F)F)c1cccc(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM505045 (2-[({5-[5- (trifluoro- methyl)- 1,2,4-oxa- diazol-...) Show SMILES NC(=O)c1ccnc(NCc2ccc(cn2)-c2noc(n2)C(F)(F)F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504545 ((S)?N-(tert-Butyl)-1-(2,5-difluoro-4-(5-(trifluoro...) Show SMILES CN(C(=O)[C@@H]1CCC(=O)N1c1cc(F)c(cc1F)-c1noc(n1)C(F)(F)F)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504545 ((S)?N-(tert-Butyl)-1-(2,5-difluoro-4-(5-(trifluoro...) Show SMILES CN(C(=O)[C@@H]1CCC(=O)N1c1cc(F)c(cc1F)-c1noc(n1)C(F)(F)F)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM504958 (3-(1,3- oxazol- 5-yl)- N-({5-[5- (trifluoro- methy...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(CNc2cccc(c2)-c2cnco2)nc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504687 ((S)-5-(3-(pyridin-4- yl)-1,2,4-oxadiazol- 5-yl)-1-...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)N1[C@@H](CCC1=O)c1nc(no1)-c1ccncc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM505000 (2-(1,1- dioxido- tetrahydro- thiophen- 3-yl)-N- (3...) Show SMILES Fc1cccc(c1)N(Cc1ccc(cn1)-c1noc(n1)C(F)(F)F)C(=O)CC1CCS(=O)(=O)C1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504623 (N-(3- fluorophenyl)-N- ((5-(5- (trifluoromethyl)- ...) Show SMILES Fc1cccc(c1)N(Cc1ccc(cn1)-c1noc(n1)C(F)(F)F)C(=O)C1CCS(=O)(=O)C1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16692 (1-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmeth...) Show SMILES CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C34H44FN5O5S/c1-22(2)20-37-32(41)24(4)36-21-30(16-25-10-8-7-9-11-25)39-34(43)28-17-27(18-31(19-28)40(5)46(6,44)45)33(42)38-23(3)26-12-14-29(35)15-13-26/h7-15,17-19,22-24,30,36H,16,20-21H2,1-6H3,(H,37,41)(H,38,42)(H,39,43)/t23-,24+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	4.5	22
Merck Research Laboratories					Assay Description The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...				Bioorg Med Chem Lett 16: 3635-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.076 BindingDB Entry DOI: 10.7270/Q27P8WN0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM504957 (6-methyl- N-({5-[5- (trifluoro- methyl)- 1,2,4-oxa...) Show SMILES Cc1ccc(NCc2ccc(cn2)-c2noc(n2)C(F)(F)F)cn1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DN485Z
					More data for this Ligand-Target Pair

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