Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'aguilera' and Initial = 'rj'   

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 8 (Homo sapiens (Human))	BDBM50397360 (CHEMBL2170177 | US10188756, Compound CN110) Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC8 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50207561 (CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...) Show SMILES ONC(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H13NO2/c16-14(15-17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,17H,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582546 (CHEMBL5083726) Show SMILES O=C(COc1ccc2cc(\C=C3\SC(=O)NC3=O)ccc2c1)Nc1nc2ccccc2s1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582535 (CHEMBL5087514) Show SMILES Cc1cc(Br)ccc1NC(=O)COc1ccc2cc(\C=C3\SC(=O)NC3=O)ccc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582542 (CHEMBL5094339) Show SMILES Fc1cccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582544 (CHEMBL5073547) Show SMILES Cc1ccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)cc1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582532 (CHEMBL5085545) Show SMILES Fc1cc(F)c(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)c(Br)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582537 (CHEMBL5073824) Show SMILES Cc1cccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582547 (CHEMBL5082258) Show SMILES Cc1cccc2sc(NC(=O)COc3ccc4cc(\C=C5\SC(=O)NC5=O)ccc4c3)nc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582530 (CHEMBL5090794) Show SMILES COc1cccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582525 (CHEMBL5072376) Show SMILES Fc1ccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582526 (CHEMBL5089555) Show SMILES Cc1ccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582540 (CHEMBL5085291) Show SMILES [O-][N+](=O)c1ccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582543 (CHEMBL5092097) Show SMILES Cc1cc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)no1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582541 (CHEMBL5084422) Show SMILES Fc1cc(Br)ccc1NC(=O)COc1ccc2cc(\C=C3\SC(=O)NC3=O)ccc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582524 (CHEMBL5089186) Show SMILES O=C(COc1ccc2cc(\C=C3\SC(=O)NC3=O)ccc2c1)Nc1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50582550 (CHEMBL5085184) Show SMILES [O-][N+](=O)c1ccc(NC(=O)COc2ccc3ccccc3c2\C=C2/SC(=O)NC2=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC8 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582528 (CHEMBL5086747) Show SMILES FC(F)(F)c1cccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50582546 (CHEMBL5083726) Show SMILES O=C(COc1ccc2cc(\C=C3\SC(=O)NC3=O)ccc2c1)Nc1nc2ccccc2s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC8 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582538 (CHEMBL5091419) Show SMILES Brc1ccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582548 (CHEMBL5078917) Show SMILES CCOc1ccc2nc(NC(=O)COc3ccc4cc(\C=C5\SC(=O)NC5=O)ccc4c3)sc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582529 (CHEMBL5082106) Show SMILES Clc1cccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582534 (CHEMBL5093916) Show SMILES Fc1ccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)c(F)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50582540 (CHEMBL5085291) Show SMILES [O-][N+](=O)c1ccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC8 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582539 (CHEMBL5081178) Show SMILES FC(F)(F)c1cc(Cl)cc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50582524 (CHEMBL5089186) Show SMILES O=C(COc1ccc2cc(\C=C3\SC(=O)NC3=O)ccc2c1)Nc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC8 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582527 (CHEMBL5082287) Show SMILES COc1ccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582545 (CHEMBL5076630) Show SMILES Brc1ccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)cc1Br Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582533 (CHEMBL5091605) Show SMILES O=C(COc1ccc2cc(\C=C3\SC(=O)NC3=O)ccc2c1)Nc1ccccc1Oc1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582531 (CHEMBL5090922) Show SMILES Clc1ccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)cc1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50582547 (CHEMBL5082258) Show SMILES Cc1cccc2sc(NC(=O)COc3ccc4cc(\C=C5\SC(=O)NC5=O)ccc4c3)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC8 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50582525 (CHEMBL5072376) Show SMILES Fc1ccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC8 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 4 (Homo sapiens)	BDBM50565143 (CHEMBL4793560) Show SMILES O=C(CN1C(=O)S\C(=C\c2ccco2)C1=O)Nc1nc2ccccc2s1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of transport activity of human GLUT4 expressed in hexose transporter deficient W4000fgy1 erg4 yeast cells assessed as reduction in transpo...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112603 BindingDB Entry DOI: 10.7270/Q25Q50T2
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50582542 (CHEMBL5094339) Show SMILES Fc1cccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC8 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50582535 (CHEMBL5087514) Show SMILES Cc1cc(Br)ccc1NC(=O)COc1ccc2cc(\C=C3\SC(=O)NC3=O)ccc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC8 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50582537 (CHEMBL5073824) Show SMILES Cc1cccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC8 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50582530 (CHEMBL5090794) Show SMILES COc1cccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC8 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50582526 (CHEMBL5089555) Show SMILES Cc1ccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC8 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50582549 (CHEMBL5090204) Show SMILES O=C(CN1C(=O)S\C(=C\c2ccccn2)C1=O)Nc1nc2ccccc2s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC8 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582549 (CHEMBL5090204) Show SMILES O=C(CN1C(=O)S\C(=C\c2ccccn2)C1=O)Nc1nc2ccccc2s1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50397360 (CHEMBL2170177 | US10188756, Compound CN110) Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	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 recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM50565143 (CHEMBL4793560) Show SMILES O=C(CN1C(=O)S\C(=C\c2ccco2)C1=O)Nc1nc2ccccc2s1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of transport activity of human GLUT1 expressed in hexose transporter deficient VW4000fgy1 yeast cells assessed as reduction in transporter...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112603 BindingDB Entry DOI: 10.7270/Q25Q50T2
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50565145 (CHEMBL4781115) Show SMILES [O-][N+](=O)c1ccc(NC(=O)CN2C(=O)S\C(=C\c3ccco3)C2=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6/SUMO-tagged HDAC8 expressed in Escherichia coli (BL21) DE3 pLysS using Boc-Lys(trifluoroacetyl)-AMC as substrate...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112603 BindingDB Entry DOI: 10.7270/Q25Q50T2
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM50565144 (CHEMBL4786111) Show SMILES Clc1ccc(NC(=O)CN2C(=O)S\C(=C\c3ccco3)C2=O)cc1Cl Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of transport activity of human GLUT1 expressed in hexose transporter deficient VW4000fgy1 yeast cells assessed as reduction in transporter...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112603 BindingDB Entry DOI: 10.7270/Q25Q50T2
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582550 (CHEMBL5085184) Show SMILES [O-][N+](=O)c1ccc(NC(=O)COc2ccc3ccccc3c2\C=C2/SC(=O)NC2=O)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50582538 (CHEMBL5091419) Show SMILES Brc1ccc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC8 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50582548 (CHEMBL5078917) Show SMILES CCOc1ccc2nc(NC(=O)COc3ccc4cc(\C=C5\SC(=O)NC5=O)ccc4c3)sc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC8 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50582536 (CHEMBL5082458) Show SMILES O=C(COc1ccc2cc(\C=C3\SC(=O)NC3=O)ccc2c1)Nc1ccccn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50582539 (CHEMBL5081178) Show SMILES FC(F)(F)c1cc(Cl)cc(NC(=O)COc2ccc3cc(\C=C4\SC(=O)NC4=O)ccc3c2)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC8 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50582541 (CHEMBL5084422) Show SMILES Fc1cc(Br)ccc1NC(=O)COc1ccc2cc(\C=C3\SC(=O)NC3=O)ccc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC8 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00491 BindingDB Entry DOI: 10.7270/Q2X352B7
					More data for this Ligand-Target Pair

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