Compile Data Set for Download or QSAR

Found 118 hits Enz. Inhib. hit(s) with all data for entry = 50007651   

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
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged BRD2 BD2 domain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by AlphaScreen assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged BRD4 BD1 domain using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubated with en...				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged BRD3 BD2 domain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by AlphaScreen assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50511231 (CHEMBL4514808) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCCCCCC(=O)NO)c(C)c1 Show InChI InChI=1S/C24H30N4O4S/c1-14-11-16(12-15(2)21(14)32-10-6-4-5-7-19(29)27-31)22-25-23(30)20-17-8-9-28(3)13-18(17)33-24(20)26-22/h11-12,31H,4-10,13H2,1-3H3,(H,27,29)(H,25,26,30)	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	46	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50511231 (CHEMBL4514808) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCCCCCC(=O)NO)c(C)c1 Show InChI InChI=1S/C24H30N4O4S/c1-14-11-16(12-15(2)21(14)32-10-6-4-5-7-19(29)27-31)22-25-23(30)20-17-8-9-28(3)13-18(17)33-24(20)26-22/h11-12,31H,4-10,13H2,1-3H3,(H,27,29)(H,25,26,30)	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	58	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged BRD3 BD1 domain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by AlphaScreen assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged BRD4 BD2 domain using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubated with en...				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50511231 (CHEMBL4514808) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCCCCCC(=O)NO)c(C)c1 Show InChI InChI=1S/C24H30N4O4S/c1-14-11-16(12-15(2)21(14)32-10-6-4-5-7-19(29)27-31)22-25-23(30)20-17-8-9-28(3)13-18(17)33-24(20)26-22/h11-12,31H,4-10,13H2,1-3H3,(H,27,29)(H,25,26,30)	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	73	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50511231 (CHEMBL4514808) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCCCCCC(=O)NO)c(C)c1 Show InChI InChI=1S/C24H30N4O4S/c1-14-11-16(12-15(2)21(14)32-10-6-4-5-7-19(29)27-31)22-25-23(30)20-17-8-9-28(3)13-18(17)33-24(20)26-22/h11-12,31H,4-10,13H2,1-3H3,(H,27,29)(H,25,26,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50511247 (CHEMBL4465878) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCCOCc2ccc(\C=C\C(=O)NO)cc2)c(C)c1 Show InChI InChI=1S/C30H32N4O5S/c1-18-14-22(28-31-29(36)26-23-10-11-34(3)16-24(23)40-30(26)32-28)15-19(2)27(18)39-13-12-38-17-21-6-4-20(5-7-21)8-9-25(35)33-37/h4-9,14-15,37H,10-13,16-17H2,1-3H3,(H,33,35)(H,31,32,36)/b9-8+	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	85	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50511228 (CHEMBL4548155) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCc2ccc(\C=C\C(=O)NO)cc2)c(C)c1 Show InChI InChI=1S/C28H28N4O4S/c1-16-12-20(26-29-27(34)24-21-10-11-32(3)14-22(21)37-28(24)30-26)13-17(2)25(16)36-15-19-6-4-18(5-7-19)8-9-23(33)31-35/h4-9,12-13,35H,10-11,14-15H2,1-3H3,(H,31,33)(H,29,30,34)/b9-8+	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	97	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50511229 (CHEMBL4592260) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCc2ccc(cc2)C(=O)NO)c(C)c1 Show InChI InChI=1S/C26H26N4O4S/c1-14-10-18(11-15(2)22(14)34-13-16-4-6-17(7-5-16)24(31)29-33)23-27-25(32)21-19-8-9-30(3)12-20(19)35-26(21)28-23/h4-7,10-11,33H,8-9,12-13H2,1-3H3,(H,29,31)(H,27,28,32)	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	105	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50511230 (CHEMBL4438753) Show SMILES Cc1noc(C)c1-c1nc2sc3CN(CCCCCC(=O)Nc4ccccc4N)CCc3c2c(=O)[nH]1 Show InChI InChI=1S/C26H30N6O3S/c1-15-22(16(2)35-31-15)24-29-25(34)23-17-11-13-32(14-20(17)36-26(23)30-24)12-7-3-4-10-21(33)28-19-9-6-5-8-18(19)27/h5-6,8-9H,3-4,7,10-14,27H2,1-2H3,(H,28,33)(H,29,30,34)	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	112	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50511244 (CHEMBL4548542) Show SMILES Cc1cc(cc(C)c1O)-c1nc2sc3CN(CCCCCC(=O)NO)CCc3c2c(=O)[nH]1 Show InChI InChI=1S/C23H28N4O4S/c1-13-10-15(11-14(2)20(13)29)21-24-22(30)19-16-7-9-27(12-17(16)32-23(19)25-21)8-5-3-4-6-18(28)26-31/h10-11,29,31H,3-9,12H2,1-2H3,(H,26,28)(H,24,25,30)	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	129	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged BRDT BD1 domain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by AlphaScreen assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50511236 (CHEMBL4530039) Show SMILES Cc1noc(C)c1-c1nc2sc3CN(CCCCCC(=O)NO)CCc3c2c(=O)[nH]1 Show InChI InChI=1S/C20H25N5O4S/c1-11-16(12(2)29-24-11)18-21-19(27)17-13-7-9-25(10-14(13)30-20(17)22-18)8-5-3-4-6-15(26)23-28/h28H,3-10H2,1-2H3,(H,23,26)(H,21,22,27)	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	135	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50511244 (CHEMBL4548542) Show SMILES Cc1cc(cc(C)c1O)-c1nc2sc3CN(CCCCCC(=O)NO)CCc3c2c(=O)[nH]1 Show InChI InChI=1S/C23H28N4O4S/c1-13-10-15(11-14(2)20(13)29)21-24-22(30)19-16-7-9-27(12-17(16)32-23(19)25-21)8-5-3-4-6-18(28)26-31/h10-11,29,31H,3-9,12H2,1-2H3,(H,26,28)(H,24,25,30)	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	136	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50511233 (CHEMBL4471956) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCc2ccc(cc2)C(=O)Nc2ccccc2N)c(C)c1 Show InChI InChI=1S/C32H31N5O3S/c1-18-14-22(29-35-31(39)27-23-12-13-37(3)16-26(23)41-32(27)36-29)15-19(2)28(18)40-17-20-8-10-21(11-9-20)30(38)34-25-7-5-4-6-24(25)33/h4-11,14-15H,12-13,16-17,33H2,1-3H3,(H,34,38)(H,35,36,39)	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	140	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged BRD2 BD1 domain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by AlphaScreen assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50511236 (CHEMBL4530039) Show SMILES Cc1noc(C)c1-c1nc2sc3CN(CCCCCC(=O)NO)CCc3c2c(=O)[nH]1 Show InChI InChI=1S/C20H25N5O4S/c1-11-16(12(2)29-24-11)18-21-19(27)17-13-7-9-25(10-14(13)30-20(17)22-18)8-5-3-4-6-15(26)23-28/h28H,3-10H2,1-2H3,(H,23,26)(H,21,22,27)	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	156	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50511247 (CHEMBL4465878) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCCOCc2ccc(\C=C\C(=O)NO)cc2)c(C)c1 Show InChI InChI=1S/C30H32N4O5S/c1-18-14-22(28-31-29(36)26-23-10-11-34(3)16-24(23)40-30(26)32-28)15-19(2)27(18)39-13-12-38-17-21-6-4-20(5-7-21)8-9-25(35)33-37/h4-9,14-15,37H,10-13,16-17H2,1-3H3,(H,33,35)(H,31,32,36)/b9-8+	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	159	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50511234 (CHEMBL4551888) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCCCC(=O)NO)c(C)c1 Show InChI InChI=1S/C22H26N4O4S/c1-12-9-14(10-13(2)19(12)30-8-4-5-17(27)25-29)20-23-21(28)18-15-6-7-26(3)11-16(15)31-22(18)24-20/h9-10,29H,4-8,11H2,1-3H3,(H,25,27)(H,23,24,28)	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	160	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50511231 (CHEMBL4514808) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCCCCCC(=O)NO)c(C)c1 Show InChI InChI=1S/C24H30N4O4S/c1-14-11-16(12-15(2)21(14)32-10-6-4-5-7-19(29)27-31)22-25-23(30)20-17-8-9-28(3)13-18(17)33-24(20)26-22/h11-12,31H,4-10,13H2,1-3H3,(H,27,29)(H,25,26,30)	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	167	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50511245 (CHEMBL4555072) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCCCCCC(=O)Nc2ccccc2N)c(C)c1 Show InChI InChI=1S/C30H35N5O3S/c1-18-15-20(28-33-29(37)26-21-12-13-35(3)17-24(21)39-30(26)34-28)16-19(2)27(18)38-14-8-4-5-11-25(36)32-23-10-7-6-9-22(23)31/h6-7,9-10,15-16H,4-5,8,11-14,17,31H2,1-3H3,(H,32,36)(H,33,34,37)	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	170	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50511229 (CHEMBL4592260) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCc2ccc(cc2)C(=O)NO)c(C)c1 Show InChI InChI=1S/C26H26N4O4S/c1-14-10-18(11-15(2)22(14)34-13-16-4-6-17(7-5-16)24(31)29-33)23-27-25(32)21-19-8-9-30(3)12-20(19)35-26(21)28-23/h4-7,10-11,33H,8-9,12-13H2,1-3H3,(H,29,31)(H,27,28,32)	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	188	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50511230 (CHEMBL4438753) Show SMILES Cc1noc(C)c1-c1nc2sc3CN(CCCCCC(=O)Nc4ccccc4N)CCc3c2c(=O)[nH]1 Show InChI InChI=1S/C26H30N6O3S/c1-15-22(16(2)35-31-15)24-29-25(34)23-17-11-13-32(14-20(17)36-26(23)30-24)12-7-3-4-10-21(33)28-19-9-6-5-8-18(19)27/h5-6,8-9H,3-4,7,10-14,27H2,1-2H3,(H,28,33)(H,29,30,34)	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	196	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50511228 (CHEMBL4548155) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCc2ccc(\C=C\C(=O)NO)cc2)c(C)c1 Show InChI InChI=1S/C28H28N4O4S/c1-16-12-20(26-29-27(34)24-21-10-11-32(3)14-22(21)37-28(24)30-26)13-17(2)25(16)36-15-19-6-4-18(5-7-19)8-9-23(33)31-35/h4-9,12-13,35H,10-11,14-15H2,1-3H3,(H,31,33)(H,29,30,34)/b9-8+	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	202	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50511234 (CHEMBL4551888) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCCCC(=O)NO)c(C)c1 Show InChI InChI=1S/C22H26N4O4S/c1-12-9-14(10-13(2)19(12)30-8-4-5-17(27)25-29)20-23-21(28)18-15-6-7-26(3)11-16(15)31-22(18)24-20/h9-10,29H,4-8,11H2,1-3H3,(H,25,27)(H,23,24,28)	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	250	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50511246 (CHEMBL4443980) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCc2cccc(c2)C(=O)NO)c(C)c1 Show InChI InChI=1S/C26H26N4O4S/c1-14-9-18(10-15(2)22(14)34-13-16-5-4-6-17(11-16)24(31)29-33)23-27-25(32)21-19-7-8-30(3)12-20(19)35-26(21)28-23/h4-6,9-11,33H,7-8,12-13H2,1-3H3,(H,29,31)(H,27,28,32)	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	251	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	278	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC10 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50511254 (CHEMBL4436262) Show SMILES Cc1noc(C)c1-c1nc2sc3CN(CCCC(=O)NO)CCc3c2c(=O)[nH]1 Show InChI InChI=1S/C18H21N5O4S/c1-9-14(10(2)27-22-9)16-19-17(25)15-11-5-7-23(6-3-4-13(24)21-26)8-12(11)28-18(15)20-16/h26H,3-8H2,1-2H3,(H,21,24)(H,19,20,25)	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	282	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50511248 (CHEMBL4581033) Show SMILES Cc1noc(C)c1-c1nc2sc3CN(CC(=O)Nc4ccccc4N)CCc3c2c(=O)[nH]1 Show InChI InChI=1S/C22H22N6O3S/c1-11-18(12(2)31-27-11)20-25-21(30)19-13-7-8-28(9-16(13)32-22(19)26-20)10-17(29)24-15-6-4-3-5-14(15)23/h3-6H,7-10,23H2,1-2H3,(H,24,29)(H,25,26,30)	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	352	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50511248 (CHEMBL4581033) Show SMILES Cc1noc(C)c1-c1nc2sc3CN(CC(=O)Nc4ccccc4N)CCc3c2c(=O)[nH]1 Show InChI InChI=1S/C22H22N6O3S/c1-11-18(12(2)31-27-11)20-25-21(30)19-13-7-8-28(9-16(13)32-22(19)26-20)10-17(29)24-15-6-4-3-5-14(15)23/h3-6H,7-10,23H2,1-2H3,(H,24,29)(H,25,26,30)	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	391	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50511235 (CHEMBL4553337) Show SMILES Cc1noc(C)c1-c1nc2sc3CN(CC(=O)NO)CCc3c2c(=O)[nH]1 Show InChI InChI=1S/C16H17N5O4S/c1-7-12(8(2)25-20-7)14-17-15(23)13-9-3-4-21(6-11(22)19-24)5-10(9)26-16(13)18-14/h24H,3-6H2,1-2H3,(H,19,22)(H,17,18,23)	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	455	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50511254 (CHEMBL4436262) Show SMILES Cc1noc(C)c1-c1nc2sc3CN(CCCC(=O)NO)CCc3c2c(=O)[nH]1 Show InChI InChI=1S/C18H21N5O4S/c1-9-14(10(2)27-22-9)16-19-17(25)15-11-5-7-23(6-3-4-13(24)21-26)8-12(11)28-18(15)20-16/h26H,3-8H2,1-2H3,(H,21,24)(H,19,20,25)	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	464	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50511235 (CHEMBL4553337) Show SMILES Cc1noc(C)c1-c1nc2sc3CN(CC(=O)NO)CCc3c2c(=O)[nH]1 Show InChI InChI=1S/C16H17N5O4S/c1-7-12(8(2)25-20-7)14-17-15(23)13-9-3-4-21(6-11(22)19-24)5-10(9)26-16(13)18-14/h24H,3-6H2,1-2H3,(H,19,22)(H,17,18,23)	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	489	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511231 (CHEMBL4514808) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCCCCCC(=O)NO)c(C)c1 Show InChI InChI=1S/C24H30N4O4S/c1-14-11-16(12-15(2)21(14)32-10-6-4-5-7-19(29)27-31)22-25-23(30)20-17-8-9-28(3)13-18(17)33-24(20)26-22/h11-12,31H,4-10,13H2,1-3H3,(H,27,29)(H,25,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of GST-tagged BRD4 bromodomain (unknown origin) using biotinylated histone H4KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50511246 (CHEMBL4443980) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCc2cccc(c2)C(=O)NO)c(C)c1 Show InChI InChI=1S/C26H26N4O4S/c1-14-9-18(10-15(2)22(14)34-13-16-5-4-6-17(11-16)24(31)29-33)23-27-25(32)21-19-7-8-30(3)12-20(19)35-26(21)28-23/h4-6,9-11,33H,7-8,12-13H2,1-3H3,(H,29,31)(H,27,28,32)	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	780	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50251045 (CHEMBL4077274) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(O)c(C)c1 Show InChI InChI=1S/C18H19N3O2S/c1-9-6-11(7-10(2)15(9)22)16-19-17(23)14-12-4-5-21(3)8-13(12)24-18(14)20-16/h6-7,22H,4-5,8H2,1-3H3,(H,19,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of GST-tagged BRD4 bromodomain (unknown origin) using biotinylated histone H4KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50511232 (CHEMBL4547886) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCc2cccc(c2)C(=O)Nc2ccccc2N)c(C)c1 Show InChI InChI=1S/C32H31N5O3S/c1-18-13-22(29-35-31(39)27-23-11-12-37(3)16-26(23)41-32(27)36-29)14-19(2)28(18)40-17-20-7-6-8-21(15-20)30(38)34-25-10-5-4-9-24(25)33/h4-10,13-15H,11-12,16-17,33H2,1-3H3,(H,34,38)(H,35,36,39)	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	860	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50511231 (CHEMBL4514808) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCCCCCC(=O)NO)c(C)c1 Show InChI InChI=1S/C24H30N4O4S/c1-14-11-16(12-15(2)21(14)32-10-6-4-5-7-19(29)27-31)22-25-23(30)20-17-8-9-28(3)13-18(17)33-24(20)26-22/h11-12,31H,4-10,13H2,1-3H3,(H,27,29)(H,25,26,30)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	923	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of HDAC10 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511247 (CHEMBL4465878) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCCOCc2ccc(\C=C\C(=O)NO)cc2)c(C)c1 Show InChI InChI=1S/C30H32N4O5S/c1-18-14-22(28-31-29(36)26-23-10-11-34(3)16-24(23)40-30(26)32-28)15-19(2)27(18)39-13-12-38-17-21-6-4-20(5-7-21)8-9-25(35)33-37/h4-9,14-15,37H,10-13,16-17H2,1-3H3,(H,33,35)(H,31,32,36)/b9-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of GST-tagged BRD4 bromodomain (unknown origin) using biotinylated histone H4KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511231 (CHEMBL4514808) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCCCCCC(=O)NO)c(C)c1 Show InChI InChI=1S/C24H30N4O4S/c1-14-11-16(12-15(2)21(14)32-10-6-4-5-7-19(29)27-31)22-25-23(30)20-17-8-9-28(3)13-18(17)33-24(20)26-22/h11-12,31H,4-10,13H2,1-3H3,(H,27,29)(H,25,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged BRD4 BD1 domain using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubated with en...				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511234 (CHEMBL4551888) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCCCC(=O)NO)c(C)c1 Show InChI InChI=1S/C22H26N4O4S/c1-12-9-14(10-13(2)19(12)30-8-4-5-17(27)25-29)20-23-21(28)18-15-6-7-26(3)11-16(15)31-22(18)24-20/h9-10,29H,4-8,11H2,1-3H3,(H,25,27)(H,23,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of GST-tagged BRD4 bromodomain (unknown origin) using biotinylated histone H4KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511228 (CHEMBL4548155) Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCc2ccc(\C=C\C(=O)NO)cc2)c(C)c1 Show InChI InChI=1S/C28H28N4O4S/c1-16-12-20(26-29-27(34)24-21-10-11-32(3)14-22(21)37-28(24)30-26)13-17(2)25(16)36-15-19-6-4-18(5-7-19)8-9-23(33)31-35/h4-9,12-13,35H,10-11,14-15H2,1-3H3,(H,31,33)(H,29,30,34)/b9-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of GST-tagged BRD4 bromodomain (unknown origin) using biotinylated histone H4KAc peptide (1 to 21 residues) as substrate by HTRF assay				J Med Chem 63: 3678-3700 (2020) Article DOI: 10.1021/acs.jmedchem.9b02178 BindingDB Entry DOI: 10.7270/Q27W6GHJ
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 118 total )  |  Next  |  Last  >>

Jump to: