Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'skinner-adams' and Initial = 'ts'   

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
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293820 (2-(2-(2-amino-6-oxo-1,6,7,8-tetrahydropurin-9-yl)e...) Show SMILES Nc1nc2N(CCOCCP(O)(O)=O)CNc2c(=O)[nH]1 Show InChI InChI=1S/C9H16N5O5P/c10-9-12-7-6(8(15)13-9)11-5-14(7)1-2-19-3-4-20(16,17)18/h11H,1-5H2,(H2,16,17,18)(H3,10,12,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair				3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293821 (2-(2-(6-oxo-1,6,7,8-tetrahydropurin-9-yl)ethoxy)et...) Show SMILES OP(O)(=O)CCOCCN1CNc2c1nc[nH]c2=O Show InChI InChI=1S/C9H15N4O5P/c14-9-7-8(10-5-11-9)13(6-12-7)1-2-18-3-4-19(15,16)17/h5,12H,1-4,6H2,(H,10,11,14)(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293826 ((2-(4-oxo-2,3,4,5-tetrahydropyrazolo[3,4-d]pyrimid...) Show SMILES OP(O)(=O)COCCN1NCc2c1nc[nH]c2=O Show InChI InChI=1S/C8H13N4O5P/c13-8-6-3-11-12(7(6)9-4-10-8)1-2-17-5-18(14,15)16/h4,11H,1-3,5H2,(H,9,10,13)(H2,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293819 (((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1,6,7,8-tetr...) Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1CNc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C10H15N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2,4,6-7,10,13,15-16H,1,3H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair				3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293818 (((2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6,7,8-tetrahydro...) Show SMILES Nc1nc2N(CNc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H16N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h3,5-6,9,12,16-17H,1-2H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair				3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293830 (CHEMBL561493 | RS-(3-(2-amino-6-oxo-1,6,7,8-tetrah...) Show SMILES Nc1nc2N(CC(CO)OCP(O)(O)=O)CNc2c(=O)[nH]1 Show InChI InChI=1S/C9H16N5O6P/c10-9-12-7-6(8(16)13-9)11-3-14(7)1-5(2-15)20-4-21(17,18)19/h5,11,15H,1-4H2,(H2,17,18,19)(H3,10,12,13,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair				3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293835 ((R)-5-(2-Amino-6-oxo-1,6,7,8-tetrahydro-purin-9-yl...) Show SMILES Nc1nc2N(C[C@@H]3COP(O)(=O)CO3)CNc2c(=O)[nH]1 |r| Show InChI InChI=1S/C9H14N5O5P/c10-9-12-7-6(8(15)13-9)11-3-14(7)1-5-2-19-20(16,17)4-18-5/h5,11H,1-4H2,(H,16,17)(H3,10,12,13,15)/t5-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.5	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 8.5 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair				3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293831 ((S)-(1-(5-amino-7-oxo-1,2,6,7-tetrahydro-[1,2,3]tr...) Show SMILES C[C@@H](CN1NNc2c1nc(N)[nH]c2=O)OCP(O)(O)=O |r| Show InChI InChI=1S/C8H15N6O5P/c1-4(19-3-20(16,17)18)2-14-6-5(12-13-14)7(15)11-8(9)10-6/h4,12-13H,2-3H2,1H3,(H2,16,17,18)(H3,9,10,11,15)/t4-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293835 ((R)-5-(2-Amino-6-oxo-1,6,7,8-tetrahydro-purin-9-yl...) Show SMILES Nc1nc2N(C[C@@H]3COP(O)(=O)CO3)CNc2c(=O)[nH]1 |r| Show InChI InChI=1S/C9H14N5O5P/c10-9-12-7-6(8(15)13-9)11-3-14(7)1-5-2-19-20(16,17)4-18-5/h5,11H,1-4H2,(H,16,17)(H3,10,12,13,15)/t5-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair				3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293836 (CHEMBL541006 | RS-(1-(2-amino-6-oxo-7,8-dihydro-1H...) Show SMILES Nc1nc2N(CC(CF)OCP(O)(O)=O)CNc2c(=O)[nH]1 Show InChI InChI=1S/C9H15FN5O5P/c10-1-5(20-4-21(17,18)19)2-15-3-12-6-7(15)13-9(11)14-8(6)16/h5,12H,1-4H2,(H2,17,18,19)(H3,11,13,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.5	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 8.5 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair				3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50225188 ((2-(2-amino-6-oxo-1,6,7,8-tetrahydropurin-9-yl)eth...) Show SMILES Nc1nc2N(CCOCP(O)(O)=O)CNc2c(=O)[nH]1 Show InChI InChI=1S/C8H14N5O5P/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-18-4-19(15,16)17/h10H,1-4H2,(H2,15,16,17)(H3,9,11,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293833 (((R)-1-(2-amino-8-bromo-6-oxo-1,6,7,8-tetrahydropu...) Show SMILES C[C@H](CN1C(Br)Nc2c1nc(N)[nH]c2=O)OCP(O)(O)=O |r| Show InChI InChI=1S/C9H15BrN5O5P/c1-4(20-3-21(17,18)19)2-15-6-5(12-8(15)10)7(16)14-9(11)13-6/h4,8,12H,2-3H2,1H3,(H2,17,18,19)(H3,11,13,14,16)/t4-,8?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair				3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50225188 ((2-(2-amino-6-oxo-1,6,7,8-tetrahydropurin-9-yl)eth...) Show SMILES Nc1nc2N(CCOCP(O)(O)=O)CNc2c(=O)[nH]1 Show InChI InChI=1S/C8H14N5O5P/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-18-4-19(15,16)17/h10H,1-4H2,(H2,15,16,17)(H3,9,11,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	5.59E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.5	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 8.5 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293824 ((2-(2-amino-8-hydroxy-6-oxo-1,6,7,8-tetrahydropuri...) Show SMILES Nc1nc2N(CCOCP(O)(O)=O)C(O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C8H14N5O6P/c9-7-11-5-4(6(14)12-7)10-8(15)13(5)1-2-19-3-20(16,17)18/h8,10,15H,1-3H2,(H2,16,17,18)(H3,9,11,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair				3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293834 ((S)-5-(2-Amino-6-oxo-1,6,7,8-tetrahydro-purin-9-yl...) Show SMILES Nc1nc2N(C[C@H]3COP(O)(=O)CO3)CNc2c(=O)[nH]1 |r| Show InChI InChI=1S/C9H14N5O5P/c10-9-12-7-6(8(15)13-9)11-3-14(7)1-5-2-19-20(16,17)4-18-5/h5,11H,1-4H2,(H,16,17)(H3,10,12,13,15)/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair				3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293834 ((S)-5-(2-Amino-6-oxo-1,6,7,8-tetrahydro-purin-9-yl...) Show SMILES Nc1nc2N(C[C@H]3COP(O)(=O)CO3)CNc2c(=O)[nH]1 |r| Show InChI InChI=1S/C9H14N5O5P/c10-9-12-7-6(8(15)13-9)11-3-14(7)1-5-2-19-20(16,17)4-18-5/h5,11H,1-4H2,(H,16,17)(H3,10,12,13,15)/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.5	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 8.5 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair				3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293828 (CHEMBL560759 | isopropyl(2-(2-amino-6-oxo-1,6,7,8-...) Show SMILES CC(C)OP(O)(=O)COCCN1CNc2c1nc(N)[nH]c2=O Show InChI InChI=1S/C11H20N5O5P/c1-7(2)21-22(18,19)6-20-4-3-16-5-13-8-9(16)14-11(12)15-10(8)17/h7,13H,3-6H2,1-2H3,(H,18,19)(H3,12,14,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair				3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293823 ((2-(5-amino-7-oxo-1,2,6,7-tetrahydro-[1,2,3]triazo...) Show SMILES Nc1nc2N(CCOCP(O)(O)=O)NNc2c(=O)[nH]1 Show InChI InChI=1S/C7H13N6O5P/c8-7-9-5-4(6(14)10-7)11-12-13(5)1-2-18-3-19(15,16)17/h11-12H,1-3H2,(H2,15,16,17)(H3,8,9,10,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.75E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293837 ((S)-9-[3-hydroxy-2-(phosphonomethoxy)propyl]guanin...) Show SMILES Nc1nc2N(C[C@@H](CO)OCP(O)(O)=O)CNc2c(=O)[nH]1 |r| Show InChI InChI=1S/C9H16N5O6P/c10-9-12-7-6(8(16)13-9)11-3-14(7)1-5(2-15)20-4-21(17,18)19/h5,11,15H,1-4H2,(H2,17,18,19)(H3,10,12,13,16)/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.77E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.5	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 8.5 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair				3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293838 ((2-(6-oxo-1,6,7,8-tetrahydropurin-9-yl)ethoxy)meth...) Show SMILES OP(O)(=O)COCCN1CNc2c1nc[nH]c2=O Show InChI InChI=1S/C8H13N4O5P/c13-8-6-7(9-3-10-8)12(4-11-6)1-2-17-5-18(14,15)16/h3,11H,1-2,4-5H2,(H,9,10,13)(H2,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.82E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.5	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 8.5 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293832 (((S)-1-(2-amino-8-bromo-6-oxo-1,6,7,8-tetrahydropu...) Show SMILES C[C@@H](CN1C(Br)Nc2c1nc(N)[nH]c2=O)OCP(O)(O)=O |r| Show InChI InChI=1S/C9H15BrN5O5P/c1-4(20-3-21(17,18)19)2-15-6-5(12-8(15)10)7(16)14-9(11)13-6/h4,8,12H,2-3H2,1H3,(H2,17,18,19)(H3,11,13,14,16)/t4-,8?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair				3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293825 ((2-(2-amino-8-bromo-6-oxo-1,6,7,8-tetrahydropurin-...) Show SMILES Nc1nc2N(CCOCP(O)(O)=O)C(Br)Nc2c(=O)[nH]1 Show InChI InChI=1S/C8H13BrN5O5P/c9-7-11-4-5(12-8(10)13-6(4)15)14(7)1-2-19-3-20(16,17)18/h7,11H,1-3H2,(H2,16,17,18)(H3,10,12,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair				3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293829 (6-methylheptyl(2-(2-amino-6-oxo-1,6,7,8-tetrahydro...) Show SMILES CC(C)CCCCCOP(O)(=O)COCCN1CNc2c1nc(N)[nH]c2=O Show InChI InChI=1S/C16H30N5O5P/c1-12(2)6-4-3-5-8-26-27(23,24)11-25-9-7-21-10-18-13-14(21)19-16(17)20-15(13)22/h12,18H,3-11H2,1-2H3,(H,23,24)(H3,17,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair				3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293827 ((2-(2-amino-6-thioxo-1,6,7,8-tetrahydropurin-9-yl)...) Show SMILES Nc1nc2N(CCOCP(O)(O)=O)CNc2c(=S)[nH]1 Show InChI InChI=1S/C8H14N5O4PS/c9-8-11-6-5(7(19)12-8)10-3-13(6)1-2-17-4-18(14,15)16/h10H,1-4H2,(H2,14,15,16)(H3,9,11,12,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50506775 (CHEMBL4593437) Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H23N3O3S/c26-20(25-28)9-5-2-6-14-29-22-23-19(15-21(27)24-22)18-12-10-17(11-13-18)16-7-3-1-4-8-16/h1,3-4,7-8,10-13,15,28H,2,5-6,9,14H2,(H,25,26)(H,23,24,27)	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	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50506777 (CHEMBL4476057) Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N3O3S/c23-17(22-25)7-3-4-10-26-19-20-16(12-18(24)21-19)15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11-12,25H,3-4,7,10H2,(H,22,23)(H,20,21,24)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50506780 (CHEMBL4550522) Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)Cc2cccc3ccccc23)cn1 Show InChI InChI=1S/C20H17N3O3/c24-19(23-26)11-10-16-8-9-17(13-21-16)22-20(25)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11,13,26H,12H2,(H,22,25)(H,23,24)/b11-10+	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50506778 (CHEMBL4469596) Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H21N3O3S/c24-18(23-26)8-2-1-5-11-27-20-21-17(13-19(25)22-20)16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12-13,26H,1-2,5,8,11H2,(H,23,24)(H,21,22,25)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50506779 (CHEMBL4521590) Show SMILES ONC(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cn1 Show InChI InChI=1S/C18H15N3O3/c22-17(20-14-8-9-16(19-11-14)18(23)21-24)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,24H,10H2,(H,20,22)(H,21,23)	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	26	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50506781 (CHEMBL4435005) Show SMILES ONC(=O)c1ccc(NC(=O)Cc2ccccc2)cn1 Show InChI InChI=1S/C14H13N3O3/c18-13(8-10-4-2-1-3-5-10)16-11-6-7-12(15-9-11)14(19)17-20/h1-7,9,20H,8H2,(H,16,18)(H,17,19)	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	37	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50506775 (CHEMBL4593437) Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H23N3O3S/c26-20(25-28)9-5-2-6-14-29-22-23-19(15-21(27)24-22)18-12-10-17(11-13-18)16-7-3-1-4-8-16/h1,3-4,7-8,10-13,15,28H,2,5-6,9,14H2,(H,25,26)(H,23,24,27)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50506780 (CHEMBL4550522) Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)Cc2cccc3ccccc23)cn1 Show InChI InChI=1S/C20H17N3O3/c24-19(23-26)11-10-16-8-9-17(13-21-16)22-20(25)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11,13,26H,12H2,(H,22,25)(H,23,24)/b11-10+	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50506781 (CHEMBL4435005) Show SMILES ONC(=O)c1ccc(NC(=O)Cc2ccccc2)cn1 Show InChI InChI=1S/C14H13N3O3/c18-13(8-10-4-2-1-3-5-10)16-11-6-7-12(15-9-11)14(19)17-20/h1-7,9,20H,8H2,(H,16,18)(H,17,19)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50506779 (CHEMBL4521590) Show SMILES ONC(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cn1 Show InChI InChI=1S/C18H15N3O3/c22-17(20-14-8-9-16(19-11-14)18(23)21-24)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,24H,10H2,(H,20,22)(H,21,23)	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50446481 (CHEMBL3110004 | US10011611, TMP269 | US10722597, C...) Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Carbamate kinase (Giardia intestinalis)	BDBM50058655 (1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...) Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Giardia lamblia carbamate Kinase preincubated for 15 mins followed by ADP and carbamate phosphate addition and measured after 20 mins b...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00910 BindingDB Entry DOI: 10.7270/Q2NK3JR0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50506778 (CHEMBL4469596) Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H21N3O3S/c24-18(23-26)8-2-1-5-11-27-20-21-17(13-19(25)22-20)16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12-13,26H,1-2,5,8,11H2,(H,23,24)(H,21,22,25)	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50506777 (CHEMBL4476057) Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N3O3S/c23-17(22-25)7-3-4-10-26-19-20-16(12-18(24)21-19)15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11-12,25H,3-4,7,10H2,(H,22,23)(H,20,21,24)	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+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50506780 (CHEMBL4550522) Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)Cc2cccc3ccccc23)cn1 Show InChI InChI=1S/C20H17N3O3/c24-19(23-26)11-10-16-8-9-17(13-21-16)22-20(25)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11,13,26H,12H2,(H,22,25)(H,23,24)/b11-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50506781 (CHEMBL4435005) Show SMILES ONC(=O)c1ccc(NC(=O)Cc2ccccc2)cn1 Show InChI InChI=1S/C14H13N3O3/c18-13(8-10-4-2-1-3-5-10)16-11-6-7-12(15-9-11)14(19)17-20/h1-7,9,20H,8H2,(H,16,18)(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50506778 (CHEMBL4469596) Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H21N3O3S/c24-18(23-26)8-2-1-5-11-27-20-21-17(13-19(25)22-20)16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12-13,26H,1-2,5,8,11H2,(H,23,24)(H,21,22,25)	PDB MMDB 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
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50506779 (CHEMBL4521590) Show SMILES ONC(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cn1 Show InChI InChI=1S/C18H15N3O3/c22-17(20-14-8-9-16(19-11-14)18(23)21-24)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,24H,10H2,(H,20,22)(H,21,23)	PDB MMDB 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
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50506777 (CHEMBL4476057) Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N3O3S/c23-17(22-25)7-3-4-10-26-19-20-16(12-18(24)21-19)15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11-12,25H,3-4,7,10H2,(H,22,23)(H,20,21,24)	PDB MMDB 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
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50506775 (CHEMBL4593437) Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H23N3O3S/c26-20(25-28)9-5-2-6-14-29-22-23-19(15-21(27)24-22)18-12-10-17(11-13-18)16-7-3-1-4-8-16/h1,3-4,7-8,10-13,15,28H,2,5-6,9,14H2,(H,25,26)(H,23,24,27)	PDB MMDB 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
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50506782 (CHEMBL4461581) Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc(NCc3ccc(F)cc3)nc3cc(OC)c(OC)cc23)cc1 Show InChI InChI=1S/C31H36FN5O3/c1-38-25-10-6-21(7-11-25)12-15-37-16-13-24(14-17-37)34-30-26-18-28(39-2)29(40-3)19-27(26)35-31(36-30)33-20-22-4-8-23(32)9-5-22/h4-11,18-19,24H,12-17,20H2,1-3H3,(H2,33,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate me...				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50506785 (CHEMBL4537137) Show SMILES COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2cc1O)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C31H36N6O2/c1-39-29-20-26-27(21-28(29)38)33-31(37-18-16-36(17-19-37)25-10-6-3-7-11-25)34-30(26)32-24-12-14-35(15-13-24)22-23-8-4-2-5-9-23/h2-11,20-21,24,38H,12-19,22H2,1H3,(H,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate me...				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50506784 (CHEMBL4527662) Show SMILES COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2cc1OCc1ccccc1)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C38H42N6O2/c1-45-35-25-33-34(26-36(35)46-28-30-13-7-3-8-14-30)40-38(44-23-21-43(22-24-44)32-15-9-4-10-16-32)41-37(33)39-31-17-19-42(20-18-31)27-29-11-5-2-6-12-29/h2-16,25-26,31H,17-24,27-28H2,1H3,(H,39,40,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused G9a (786 to 1210 residues) expressed in Escherichia coli using biotinylated H3 (1 to 21 residues...				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair

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