Compile Data Set for Download or QSAR

Found 3775 hits of ic50 for UniProtKB: Q92769   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50494415 (CHEMBL3086767) Show SMILES CCOC(=O)NCCCC(=O)NCCc1ccccc1 Show InChI InChI=1S/C15H22N2O3/c1-2-20-15(19)17-11-6-9-14(18)16-12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19)	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	0.112	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 after 30 mins by fluorescence assay				J Nat Prod 76: 2026-33 (2013) Article DOI: 10.1021/np400198r BindingDB Entry DOI: 10.7270/Q21J9DQ7
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50494415 (CHEMBL3086767) Show SMILES CCOC(=O)NCCCC(=O)NCCc1ccccc1 Show InChI InChI=1S/C15H22N2O3/c1-2-20-15(19)17-11-6-9-14(18)16-12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19)	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	0.119	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 after 30 mins by fluorescence assay				J Nat Prod 76: 2026-33 (2013) Article DOI: 10.1021/np400198r BindingDB Entry DOI: 10.7270/Q21J9DQ7
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50241905 (CHEMBL4080164) Show SMILES Cl.Cc1[nH]c2ccccc2c1CCNCc1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-7-2-3-8-20(19)23-15)11-12-22-14-17-6-4-5-16(13-17)9-10-21(25)24-26/h2-10,13,22-23,26H,11-12,14H2,1H3,(H,24,25)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University (TMU) Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC2 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis				Eur J Med Chem 134: 13-23 (2017) Article DOI: 10.1016/j.ejmech.2017.03.079 BindingDB Entry DOI: 10.7270/Q2154K5F
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50606560 (CHEMBL5220360) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(CC2CC2)CC1)c1ncc([nH]1)-c1cc2ccc(nc2cc1OC)C1CC1 |r| 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	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02150 BindingDB Entry DOI: 10.7270/Q2N58RGN
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50606559 (CHEMBL5219875) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(CC2CC2)CC1)c1ncc([nH]1)-c1cc2ccc(CC)nc2cc1OC |r| 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	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02150 BindingDB Entry DOI: 10.7270/Q2N58RGN
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50606557 (CHEMBL5219294) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(CC2CC2)CC1)c1ncc([nH]1)-c1cc2ccc(C)nc2cc1OC |r| 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	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02150 BindingDB Entry DOI: 10.7270/Q2N58RGN
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50573101 (CHEMBL4861467) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(CC2CC2)CC1)c1ncc([nH]1)-c1cc2cccnc2cc1OC |r| 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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant FLAG-tagged HDAC2 expressed in Sf9 cells incubated for 30 mins by Fluor De Lys assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00336 BindingDB Entry DOI: 10.7270/Q2DV1PPK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50606558 (CHEMBL5219825) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(CC1)C1CCC1)c1ncc([nH]1)-c1cc2ccc(C)nc2cc1OC |r| 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	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02150 BindingDB Entry DOI: 10.7270/Q2N58RGN
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HDAC2 expressed in baculovirus infected sf9 cells using p53 residues 379-382 (RHKKAc) as substrate by fluorescence-based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00830 BindingDB Entry DOI: 10.7270/Q2F76H9K
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50568215 (CHEMBL4878197) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCCCCCn2ccc3cc(-c4cnc1[nH]4)c(OC)cc3c2=O |r,wU:13.12,wD:9.8,(81.04,-4.01,;79.64,-3.37,;78.4,-4.27,;78.53,-5.8,;77,-3.63,;75.75,-4.52,;74.35,-3.88,;73.09,-4.76,;71.71,-4.12,;70.45,-5.02,;70.6,-6.54,;71.99,-7.19,;73.24,-6.29,;72.15,-8.71,;73.03,-9.95,;71.5,-10.1,;70.13,-9.31,;68.77,-10.1,;68.77,-11.67,;70.13,-12.47,;71.52,-11.68,;67.37,-12.47,;65.99,-11.67,;64.6,-12.47,;63.21,-11.22,;61.32,-11.48,;59.29,-7.36,;57.73,-6.26,;58.02,-4.74,;59.54,-4.15,;60.03,-2.67,;61.55,-2.37,;62.58,-3.53,;64.07,-3.25,;65.09,-4.4,;66.6,-4.1,;67.23,-2.7,;68.76,-2.88,;69.06,-4.38,;67.72,-5.13,;64.6,-5.85,;65.62,-7,;65.13,-8.45,;63.1,-6.16,;62.08,-5.01,;60.56,-5.31,;60.05,-6.83,)| 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	0.310	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128168 BindingDB Entry DOI: 10.7270/Q2QR51V7
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC2 expressed in baculovirus infected Sf9 cells using RHKK-Ac as substrate by fluorescence analysis				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length C-terminal GST fusion-tagged human HDAC2 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113332 BindingDB Entry DOI: 10.7270/Q2F76HH8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50606555 (CHEMBL5220926) Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2cc3ccc(C)nc3cc2OC)CC1 |r| 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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02150 BindingDB Entry DOI: 10.7270/Q2N58RGN
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50568214 (CHEMBL4860000) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCCCCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(54.03,-3.3,;52.63,-2.65,;51.39,-3.55,;51.52,-5.08,;49.99,-2.91,;48.73,-3.8,;47.34,-3.16,;46.08,-4.04,;44.69,-3.4,;43.44,-4.3,;43.59,-5.82,;44.98,-6.47,;46.23,-5.57,;45.14,-7.99,;46.02,-9.24,;44.49,-9.38,;43.11,-8.59,;41.76,-9.38,;41.75,-10.96,;43.12,-11.75,;44.51,-10.96,;40.36,-11.76,;38.97,-10.95,;37.58,-11.75,;36.09,-10.67,;34.26,-10.81,;32.5,-6.91,;30.88,-5.99,;31.12,-4.14,;32.53,-3.43,;33.01,-1.95,;34.54,-1.65,;35.57,-2.81,;37.06,-2.53,;38.07,-3.68,;37.59,-5.14,;36.08,-5.44,;35.07,-4.29,;33.55,-4.59,;33.04,-6.11,;39.58,-3.38,;40.22,-1.98,;41.75,-2.16,;42.05,-3.66,;40.71,-4.41,)| 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	0.430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128168 BindingDB Entry DOI: 10.7270/Q2QR51V7
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50544211 (CHEMBL4641682) Show SMILES CN1CC(C1)C(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1ncc([nH]1)-c1ccccc1F |r| Show InChI InChI=1S/C24H28FN5O3/c1-30-14-16(15-30)24(32)28-20(9-3-2-4-10-22(31)19-11-12-33-29-19)23-26-13-21(27-23)17-7-5-6-8-18(17)25/h5-8,11-13,16,20H,2-4,9-10,14-15H2,1H3,(H,26,27)(H,28,32)/t20-/m0/s1	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	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of full length human recombinant FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 cells using FLUOR DE LYS as substrate preincubate...				ACS Med Chem Lett 11: 1476-1483 (2020) Article DOI: 10.1021/acsmedchemlett.0c00302 BindingDB Entry DOI: 10.7270/Q2RV0S85
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50101331 (CHEMBL3329621) Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCSSCC\C=C\[C@@H]1CC(=O)NCc3nc(cs3)C3=N[C@@](C)(CS3)C(=O)N[C@@H](C(C)C)C(=O)O1)n2 |r,c:11,t:50| Show InChI InChI=1S/C42H54N8O8S6/c1-23(2)33-37(53)57-25(15-29(51)43-17-31-45-27(19-59-31)35-49-41(5,21-61-35)39(55)47-33)11-7-9-13-63-64-14-10-8-12-26-16-30(52)44-18-32-46-28(20-60-32)36-50-42(6,22-62-36)40(56)48-34(24(3)4)38(54)58-26/h7-8,11-12,19-20,23-26,33-34H,9-10,13-18,21-22H2,1-6H3,(H,43,51)(H,44,52)(H,47,55)(H,48,56)/b11-7+,12-8+/t25-,26-,33+,34+,41+,42+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay				ACS Med Chem Lett 5: 905-10 (2014) Article DOI: 10.1021/ml500170r BindingDB Entry DOI: 10.7270/Q2RV0QFK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50241901 (CHEMBL4065026) Show SMILES Cn1ccc2c(CCNS(=O)(=O)c3ccc(\C=C\C(=O)NO)cc3)cccc12 Show InChI InChI=1S/C20H21N3O4S/c1-23-14-12-18-16(3-2-4-19(18)23)11-13-21-28(26,27)17-8-5-15(6-9-17)7-10-20(24)22-25/h2-10,12,14,21,25H,11,13H2,1H3,(H,22,24)/b10-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University (TMU) Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC2 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis				Eur J Med Chem 134: 13-23 (2017) Article DOI: 10.1016/j.ejmech.2017.03.079 BindingDB Entry DOI: 10.7270/Q2154K5F
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50606556 (CHEMBL5218854) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(CC1)C(C)C)c1ncc([nH]1)-c1cc2ccc(C)nc2cc1OC |r| 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	0.590	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02150 BindingDB Entry DOI: 10.7270/Q2N58RGN
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50606561 (CHEMBL5218537) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cc2ccc(nc2cc1OC)C1CC1 |r| 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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02150 BindingDB Entry DOI: 10.7270/Q2N58RGN
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50530002 (CHEMBL4532398) Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r| Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1	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	0.610	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC2 expressed in baculovirus expression system using Ac-peptide-AMC as substrate preincubated for 15 mi...				J Med Chem 62: 1577-1592 (2019) Article DOI: 10.1021/acs.jmedchem.8b01825 BindingDB Entry DOI: 10.7270/Q20868S8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50530002 (CHEMBL4532398) Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r| Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1	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	0.610	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC2 expressed in baculovirus expression system using Ac-peptide-AMC as substrate preincubated for 15 mi...				J Med Chem 62: 1577-1592 (2019) Article DOI: 10.1021/acs.jmedchem.8b01825 BindingDB Entry DOI: 10.7270/Q20868S8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50543650 (CHEMBL4649205) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(CC2CC2)CC1)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| Show InChI InChI=1S/C34H45N5O3/c1-3-25(40)10-5-4-6-12-29(37-32(41)27-20-34(27)15-17-39(18-16-34)22-23-13-14-23)31-35-21-30(36-31)26-19-24-9-7-8-11-28(24)38-33(26)42-2/h7-9,11,19,21,23,27,29H,3-6,10,12-18,20,22H2,1-2H3,(H,35,36)(H,37,41)/t27-,29+/m1/s1	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	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127197 BindingDB Entry DOI: 10.7270/Q2CZ3BQC
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50606568 (CHEMBL5219115) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cc2ccc(C)nc2cc1C |r| 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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02150 BindingDB Entry DOI: 10.7270/Q2N58RGN
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50573102 (CHEMBL4862152) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(CC2CC2)CC1)c1ncc(o1)-c1cc2ccc(C)nc2cc1OC |r| 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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant FLAG-tagged HDAC2 expressed in Sf9 cells incubated for 30 mins by Fluor De Lys assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00336 BindingDB Entry DOI: 10.7270/Q2DV1PPK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50606562 (CHEMBL5220969) Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2cc3ccc(=O)n(C)c3cc2OC)CC1 |r| 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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02150 BindingDB Entry DOI: 10.7270/Q2N58RGN
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50544215 (CHEMBL4637689) Show SMILES CN1CC(C1)C(=O)N[C@@H](CCCCCC(=O)c1cc(C)on1)c1ncc([nH]1)-c1ccccc1F |r| Show InChI InChI=1S/C25H30FN5O3/c1-16-12-21(30-34-16)23(32)11-5-3-4-10-20(29-25(33)17-14-31(2)15-17)24-27-13-22(28-24)18-8-6-7-9-19(18)26/h6-9,12-13,17,20H,3-5,10-11,14-15H2,1-2H3,(H,27,28)(H,29,33)/t20-/m0/s1	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	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of full length human recombinant FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 cells using FLUOR DE LYS as substrate preincubate...				ACS Med Chem Lett 11: 1476-1483 (2020) Article DOI: 10.1021/acsmedchemlett.0c00302 BindingDB Entry DOI: 10.7270/Q2RV0S85
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50268097 (6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...) Show SMILES [#8]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]-1\c2ccccc2-c2ccccc-12 Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM323709 (US10188756, Compound CN133 | US11207431, Martinost...) Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1)CC12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:24.22.21,23:22:25:18.19.17,THB:19:18:24:25.20.21| Show InChI InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50544227 (CHEMBL4634501) Show SMILES CN1CC(C1)C(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1ncc(o1)-c1ccccc1F |r| Show InChI InChI=1S/C24H27FN4O4/c1-29-14-16(15-29)23(31)27-20(9-3-2-4-10-21(30)19-11-12-32-28-19)24-26-13-22(33-24)17-7-5-6-8-18(17)25/h5-8,11-13,16,20H,2-4,9-10,14-15H2,1H3,(H,27,31)/t20-/m0/s1	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	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of full length human recombinant FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 cells using FLUOR DE LYS as substrate preincubate...				ACS Med Chem Lett 11: 1476-1483 (2020) Article DOI: 10.1021/acsmedchemlett.0c00302 BindingDB Entry DOI: 10.7270/Q2RV0S85
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50568204 (CHEMBL4854377) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)C\C=C\CN2C3CCC2c2cc(ccc32)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,t:24,TLB:24:25:30.35:27.28,(23.45,-24.5,;22.06,-23.86,;20.81,-24.75,;20.95,-26.28,;19.42,-24.11,;18.17,-25,;16.77,-24.37,;15.52,-25.25,;14.13,-24.61,;12.87,-25.5,;13.01,-27.03,;14.4,-27.67,;15.66,-26.78,;14.57,-29.2,;15.45,-30.45,;13.92,-30.58,;12.54,-29.79,;11.18,-30.58,;11.18,-32.16,;12.55,-32.95,;13.93,-32.17,;4.16,-31.99,;3.9,-30.43,;2.43,-29.87,;2.17,-28.31,;3.4,-27.31,;2.98,-25.79,;2.48,-27.25,;3.5,-28.41,;5.02,-28.11,;5.51,-26.65,;7.02,-26.34,;7.51,-24.88,;6.49,-23.73,;5,-24.02,;4.5,-25.49,;9.01,-24.58,;9.64,-23.19,;11.17,-23.36,;11.48,-24.86,;10.14,-25.62,)| 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	0.860	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128168 BindingDB Entry DOI: 10.7270/Q2QR51V7
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50098414 (CHEMBL3593247) Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal FLAG-tagged human HDAC2 expressed in baculovirus infected Sf9 insect cells using BPS HDAC substrate 3 after 30 m...				Bioorg Med Chem 25: 3077-3086 (2017) Article DOI: 10.1016/j.bmc.2017.03.071 BindingDB Entry DOI: 10.7270/Q2M047MP
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50241906 (CHEMBL4069853) Show SMILES ONC(=O)\C=C\c1ccc(cc1)S(=O)(=O)NCCc1cccc2[nH]ccc12 Show InChI InChI=1S/C19H19N3O4S/c23-19(22-24)9-6-14-4-7-16(8-5-14)27(25,26)21-13-10-15-2-1-3-18-17(15)11-12-20-18/h1-9,11-12,20-21,24H,10,13H2,(H,22,23)/b9-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University (TMU) Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC2 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis				Eur J Med Chem 134: 13-23 (2017) Article DOI: 10.1016/j.ejmech.2017.03.079 BindingDB Entry DOI: 10.7270/Q2154K5F
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50020912 (Largazole Thiol) Show SMILES [H][C@]1(CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@H](C(C)C)C(=O)O1)\C=C\CCS |r,t:13| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) incubated for 30 mins in presence of BSA and in absence of DTT by fluorescence assay				ACS Med Chem Lett 5: 905-10 (2014) Article DOI: 10.1021/ml500170r BindingDB Entry DOI: 10.7270/Q2RV0QFK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50101330 (CHEMBL3329622) Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCSSC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n2 |r,c:11| Show InChI InChI=1S/C33H49N5O8S4/c1-19(2)25-28(41)44-20(14-23(39)34-15-24-35-21(16-47-24)26-38-33(9,18-48-26)29(42)37-25)12-10-11-13-49-50-17-22(27(40)45-31(3,4)5)36-30(43)46-32(6,7)8/h10,12,16,19-20,22,25H,11,13-15,17-18H2,1-9H3,(H,34,39)(H,36,43)(H,37,42)/b12-10+/t20-,22+,25+,33+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay				ACS Med Chem Lett 5: 905-10 (2014) Article DOI: 10.1021/ml500170r BindingDB Entry DOI: 10.7270/Q2RV0QFK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50020912 (Largazole Thiol) Show SMILES [H][C@]1(CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@H](C(C)C)C(=O)O1)\C=C\CCS |r,t:13| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) incubated at 37 degC for 30 mins				Bioorg Med Chem Lett 24: 3728-31 (2014) Article DOI: 10.1016/j.bmcl.2014.07.006 BindingDB Entry DOI: 10.7270/Q25Q4XRZ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19151 ((1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-bis(propa...) Show SMILES C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C |r,t:12| Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC2 using Ac-Lys(Ac)-AMC as substrate after 30 mins by fluorescence analysis				ACS Med Chem Lett 3: 505-508 (2012) Article DOI: 10.1021/ml300081u BindingDB Entry DOI: 10.7270/Q2JQ122X
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50143894 (CHEMBL3759921) Show SMILES ONC(=O)CCCCCCC(=O)N\N=C\c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H25N3O3/c25-20(10-6-1-2-7-11-21(26)24-27)23-22-16-17-12-14-19(15-13-17)18-8-4-3-5-9-18/h3-5,8-9,12-16,27H,1-2,6-7,10-11H2,(H,23,25)(H,24,26)/b22-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay				Bioorg Med Chem Lett 26: 1265-71 (2016) Article DOI: 10.1016/j.bmcl.2016.01.022 BindingDB Entry DOI: 10.7270/Q2H99714
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50354086 (FK-228 | Istodax | ROMIDEPSIN) Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay				ACS Med Chem Lett 5: 905-10 (2014) Article DOI: 10.1021/ml500170r BindingDB Entry DOI: 10.7270/Q2RV0QFK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Inhibition of HDAC2				Bioorg Med Chem 18: 4103-10 (2010) Article DOI: 10.1016/j.bmc.2010.03.080 BindingDB Entry DOI: 10.7270/Q2CC11N4
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50048864 (CHEMBL3310505) Show SMILES [H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2 |r,t:20| Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19+,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC2 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00830 BindingDB Entry DOI: 10.7270/Q2F76H9K
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| 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/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Inhibition of HDAC2				Bioorg Med Chem 18: 4103-10 (2010) Article DOI: 10.1016/j.bmc.2010.03.080 BindingDB Entry DOI: 10.7270/Q2CC11N4
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50055513 (CHEMBL3317811) Show SMILES C[C@@]12CSC(=N1)c1csc(CNC(=O)C[C@H](OC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)\C=C\CCS)n1 |r,c:4| Show InChI InChI=1S/C25H28N4O5S3/c1-25-14-37-22(29-25)19-13-36-21(27-19)12-26-20(31)11-17(4-2-3-9-35)34-23(32)18(28-24(25)33)10-15-5-7-16(30)8-6-15/h2,4-8,13,17-18,30,35H,3,9-12,14H2,1H3,(H,26,31)(H,28,33)/b4-2+/t17-,18+,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) incubated at 37 degC for 30 mins				Bioorg Med Chem Lett 24: 3728-31 (2014) Article DOI: 10.1016/j.bmcl.2014.07.006 BindingDB Entry DOI: 10.7270/Q25Q4XRZ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50552755 (CHEMBL4780309) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2[nH]c3ccccc3c2c1 |r| 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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC2 (unknown origin) using compound purified by traditional preparative HPLC work-flow				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00596 BindingDB Entry DOI: 10.7270/Q2HD809G
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length C-terminal His tagged HDAC2 (1 to 488 residues) expressed in baculovirus-infected Sf9 insect cells using ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01993 BindingDB Entry DOI: 10.7270/Q27P939C
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50606572 (CHEMBL5218693) Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc(o2)-c2cc3ccc(C)nc3cc2OC)CC1 |r| 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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02150 BindingDB Entry DOI: 10.7270/Q2N58RGN
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	CHEMBL5274330 Show SMILES OC(=O)CCC(O)=O.Fc1ccccc1C(=O)NC(=O)NC1CN2CCC1CC2 |(16.6,-16.95,;17.37,-15.63,;18.91,-15.63,;16.6,-14.3,;15.06,-14.3,;14.3,-15.63,;15.06,-16.95,;12.76,-15.63,;-.67,-13.94,;-.66,-15.48,;-1.99,-16.25,;-1.99,-17.79,;-.66,-18.56,;.67,-17.79,;.67,-16.25,;2,-15.47,;1.99,-13.93,;3.33,-16.22,;4.65,-15.45,;4.65,-13.91,;6,-16.22,;7.31,-15.45,;8.71,-16.25,;10.1,-15.45,;10.1,-13.82,;8.71,-13.01,;7.31,-13.82,;9.01,-14.23,;7.88,-15.13,)| Show InChI InChI=1S/C15H18FN3O2.C4H6O4/c16-12-4-2-1-3-11(12)14(20)18-15(21)17-13-9-19-7-5-10(13)6-8-19;5-3(6)1-2-4(7)8/h1-4,10,13H,5-9H2,(H2,17,18,20,21);1-2H2,(H,5,6)(H,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem		n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HDAC2 expressed in Sf9 cells using Ac-peptide as substrate preincubated for 15 mins followed by substrate and trypsin addition an...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02104 BindingDB Entry DOI: 10.7270/Q2BC437D
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50055515 (CHEMBL3317818) Show SMILES CC(C)(C)OC(=O)n1cnc(C[C@@H]2NC(=O)[C@]3(C)CSC(=N3)c3csc(CNC(=O)C[C@H](OC2=O)\C=C\CCS)n3)c1 |r,c:20| Show InChI InChI=1S/C27H34N6O6S3/c1-26(2,3)39-25(37)33-12-16(29-15-33)9-18-23(35)38-17(7-5-6-8-40)10-20(34)28-11-21-30-19(13-41-21)22-32-27(4,14-42-22)24(36)31-18/h5,7,12-13,15,17-18,40H,6,8-11,14H2,1-4H3,(H,28,34)(H,31,36)/b7-5+/t17-,18+,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) incubated at 37 degC for 30 mins				Bioorg Med Chem Lett 24: 3728-31 (2014) Article DOI: 10.1016/j.bmcl.2014.07.006 BindingDB Entry DOI: 10.7270/Q25Q4XRZ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50606548 (CHEMBL5218918) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nc(ccc2c1)C1CC1 |r| 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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02150 BindingDB Entry DOI: 10.7270/Q2N58RGN
					More data for this Ligand-Target Pair

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