Compile Data Set for Download or QSAR

Found 10533 hits of ic50 data for polymerid = 1967   

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 1 (Homo sapiens (Human))	BDBM50574359 (CHEMBL4856052) Show SMILES CN(C)CCNc1ccc2cc(ncc2c1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC1 (unknown origin) preincubated for 10 mins followed by tripeptide substrate addition and measured after 60 mins by fluorescence mi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00488 BindingDB Entry DOI: 10.7270/Q2VH5SM1
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50574358 (CHEMBL4860757) Show SMILES CN(C)CCN(C)c1ccc2cc(cnc2c1)C(=O)Nc1cc(ccc1N)-c1cccs1 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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC1 (unknown origin) preincubated for 10 mins followed by tripeptide substrate addition and measured after 60 mins by fluorescence mi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00488 BindingDB Entry DOI: 10.7270/Q2VH5SM1
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM117170 (US8648092, 101) Show SMILES CCC(CC)CN(CC)Cc1c(C)nc2cc(\C=C\C(=O)NO)ccn12 Show InChI InChI=1S/C20H30N4O2/c1-5-16(6-2)13-23(7-3)14-18-15(4)21-19-12-17(10-11-24(18)19)8-9-20(25)22-26/h8-12,16,26H,5-7,13-14H2,1-4H3,(H,22,25)/b9-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells Fluor-de-lys as substrate measured after 2 hrs by...				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM117141 (US8648092, 72) Show SMILES CCCCNCc1c(CCCC)nc2cc(\C=C\C(=O)NO)ccn12 Show InChI InChI=1S/C19H28N4O2/c1-3-5-7-16-17(14-20-11-6-4-2)23-12-10-15(13-18(23)21-16)8-9-19(24)22-25/h8-10,12-13,20,25H,3-7,11,14H2,1-2H3,(H,22,24)/b9-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells Fluor-de-lys as substrate measured after 2 hrs by...				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant FLAG-tagged HDAC1 expressed in HEK293F 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 1 (Homo sapiens (Human))	BDBM117146 (US8648092, 77) Show SMILES CCCCN(CC)Cc1c(CCCC)nc2cc(\C=C\C(=O)NO)ccn12 Show InChI InChI=1S/C21H32N4O2/c1-4-7-9-18-19(16-24(6-3)13-8-5-2)25-14-12-17(15-20(25)22-18)10-11-21(26)23-27/h10-12,14-15,27H,4-9,13,16H2,1-3H3,(H,23,26)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells Fluor-de-lys as substrate measured after 2 hrs by...				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (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	0.0800	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 HDAC1 expressed in HEK293F cells using FLUOR DE LYS as substrate preincubated for 3 hrs follo...				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 1 (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	0.0850	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of HDAC1 (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 1 (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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length FLAG-tagged HDAC1 expressed in HEK293F cells using BML-KI104 as substrate in presence of SAHA as inhibito...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00462 BindingDB Entry DOI: 10.7270/Q2TH8RDR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HDAC1 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 1 (Homo sapiens (Human))	BDBM50543649 (CHEMBL4644038) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(CC1)C(C)C)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| Show InChI InChI=1S/C33H45N5O3/c1-5-24(39)12-7-6-8-14-28(36-31(40)26-20-33(26)15-17-38(18-16-33)22(2)3)30-34-21-29(35-30)25-19-23-11-9-10-13-27(23)37-32(25)41-4/h9-11,13,19,21-22,26,28H,5-8,12,14-18,20H2,1-4H3,(H,34,35)(H,36,40)/t26-,28+/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	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of HDAC1 (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 1 (Homo sapiens (Human))	BDBM50568211 (CHEMBL4876610) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCOCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(53.94,-55.95,;52.55,-55.3,;51.3,-56.19,;51.44,-57.72,;49.9,-55.56,;48.65,-56.45,;47.25,-55.81,;45.99,-56.69,;44.61,-56.06,;43.35,-56.95,;43.49,-58.47,;44.88,-59.12,;46.14,-58.23,;45.04,-60.64,;45.93,-61.89,;44.4,-62.03,;43.02,-61.24,;41.66,-62.03,;41.66,-63.61,;43.03,-64.41,;44.41,-63.62,;40.26,-64.41,;38.55,-63.17,;36.55,-63.64,;33.33,-59.89,;30.34,-58.69,;30.85,-56.4,;32.42,-56.08,;32.92,-54.6,;34.44,-54.29,;35.47,-55.46,;36.96,-55.18,;37.98,-56.33,;37.49,-57.79,;35.99,-58.09,;34.97,-56.93,;33.45,-57.24,;32.94,-58.76,;39.48,-56.03,;40.12,-54.63,;41.65,-54.8,;41.95,-56.31,;40.62,-57.06,)| 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	0.110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC1 (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 1 (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	0.110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC1 (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 1 (Homo sapiens (Human))	BDBM50531385 (CHEMBL4568666) Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCC(=O)[C@@H]1CO1)NC(=O)C2 |r| Show InChI InChI=1S/C34H42N4O6/c39-29(30-22-44-30)17-9-3-8-16-26-32(41)36-27(19-23-11-4-1-5-12-23)33(42)37-28(20-24-13-6-2-7-14-24)34(43)38-18-10-15-25(38)21-31(40)35-26/h1-2,4-7,11-14,25-28,30H,3,8-10,15-22H2,(H,35,40)(H,36,41)(H,37,42)/t25-,26+,27+,28+,30+/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	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 expressed in NIH/3T3 cells using [3H]acetyl histone as substrate measured after 15 mins by liquid scintillation...				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (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	0.110	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 1 (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	0.110	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 HDAC1 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 1 (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	0.110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length C-terminal FLAG His-tagged human HDAC1 expressed in baculovirus infected Sf21 insect cells using RHK-K(Ac)-AMC ...				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 1 (Homo sapiens (Human))	BDBM50123617 (CHEMBL3622726) Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,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	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institute of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay				J Med Chem 58: 7672-80 (2015) Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50531393 (CHEMBL4438063) Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC[C@H](CCCCCC(=O)C1CO1)NC2=O |r| Show InChI InChI=1S/C28H40N4O5/c1-28(2)27(36)31-21(16-19-10-5-3-6-11-19)26(35)32-15-9-13-22(32)25(34)30-20(17-29-28)12-7-4-8-14-23(33)24-18-37-24/h3,5-6,10-11,20-22,24,29H,4,7-9,12-18H2,1-2H3,(H,30,34)(H,31,36)/t20-,21-,22+,24?/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	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Eur J Med Chem 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (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	0.150	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Inhibition of HDAC1				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 1 (Homo sapiens (Human))	BDBM50470579 (4sc-202 | Domatinostat) Show SMILES Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)n1ccc(\C=C\C(=O)Nc2ccccc2N)c1 Show InChI InChI=1S/C23H21N5O3S/c1-27-16-19(14-25-27)18-7-9-20(10-8-18)32(30,31)28-13-12-17(15-28)6-11-23(29)26-22-5-3-2-4-21(22)24/h2-16H,24H2,1H3,(H,26,29)/b11-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	0.160	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 1 (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	0.160	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 HDAC1 expressed in HEK293F cells using FLUOR DE LYS as substrate preincubated for 3 hrs follo...				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 1 (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	0.170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant FLAG-tagged HDAC1 expressed in HEK293F 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 1 (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	0.190	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant full length HDAC1 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...				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 1 (Homo sapiens (Human))	BDBM50543637 (CHEMBL4642518) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| Show InChI InChI=1S/C31H41N5O3/c1-4-22(37)11-6-5-7-13-26(34-29(38)24-19-31(24)14-16-36(2)17-15-31)28-32-20-27(33-28)23-18-21-10-8-9-12-25(21)35-30(23)39-3/h8-10,12,18,20,24,26H,4-7,11,13-17,19H2,1-3H3,(H,32,33)(H,34,38)/t24-,26+/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	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of HDAC1 (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 1 (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	0.190	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant full length HDAC1 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...				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 1 (Homo sapiens (Human))	BDBM323704 (US10188756, Compound CN107) Show SMILES Cn1cc(CCNCc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12 Show InChI InChI=1S/C21H23N3O2/c1-24-15-18(19-4-2-3-5-20(19)24)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)23-26/h2-11,15,22,26H,12-14H2,1H3,(H,23,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	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 1 (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	0.200	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 HDAC1 expressed in HEK293F cells using FLUOR DE LYS as substrate preincubated for 3 hrs follo...				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 1 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human HDAC1 using pan-HDAC substrate incubated for 3 hrs by fluorescence method				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 1 (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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC1 (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 1 (Homo sapiens (Human))	BDBM50449386 (CHEMBL3126833) Show SMILES CSCC[C@H]1NC(=O)C[C@@H]2OC(=O)C[C@H](O)[C@H](NC(=O)[C@@H](CSSCC\C=C\2)NC1=O)C(C)C |r,t:26| Show InChI InChI=1S/C22H35N3O6S3/c1-13(2)20-17(26)11-19(28)31-14-6-4-5-8-33-34-12-16(22(30)25-20)24-21(29)15(7-9-32-3)23-18(27)10-14/h4,6,13-17,20,26H,5,7-12H2,1-3H3,(H,23,27)(H,24,29)(H,25,30)/b6-4+/t14-,15-,16-,17+,20-/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 1 hr by luminescence assay				Medchemcomm 3: 976-981 (2012) Article DOI: 10.1039/c2md20024d BindingDB Entry DOI: 10.7270/Q21G0Q7K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50055512 (CHEMBL3317812) Show SMILES C[C@@]12CSC(=N1)c1csc(CNC(=O)C[C@H](OC(=O)[C@H](Cc3c[nH]cn3)NC2=O)\C=C\CCS)n1 |r,c:4| Show InChI	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (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 1 (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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 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 1 (Homo sapiens (Human))	BDBM50386447 (CHEMBL2047701) Show SMILES Oc1c(Br)cc(CC(N=O)C(=O)NCCS)cc1Br Show InChI InChI=1S/C11H12Br2N2O3S/c12-7-3-6(4-8(13)10(7)16)5-9(15-18)11(17)14-1-2-19/h3-4,9,16,19H,1-2,5H2,(H,14,17)	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM323704 (US10188756, Compound CN107) Show SMILES Cn1cc(CCNCc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12 Show InChI InChI=1S/C21H23N3O2/c1-24-15-18(19-4-2-3-5-20(19)24)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)23-26/h2-11,15,22,26H,12-14H2,1H3,(H,23,25)/b11-10+	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	0.200	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 1 (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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC1 (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 1 (Homo sapiens (Human))	BDBM50530003 (CHEMBL4552057) Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 Show InChI InChI=1S/C22H29N7O3/c23-17-8-6-16(7-9-17)20-25-21(28-11-13-32-14-12-28)18-15-24-29(22(18)26-20)10-4-2-1-3-5-19(30)27-31/h6-9,15,31H,1-5,10-14,23H2,(H,27,30)	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	0.210	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant full length HDAC1 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...				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 1 (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	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (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 1 (Homo sapiens (Human))	BDBM50530003 (CHEMBL4552057) Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 Show InChI InChI=1S/C22H29N7O3/c23-17-8-6-16(7-9-17)20-25-21(28-11-13-32-14-12-28)18-15-24-29(22(18)26-20)10-4-2-1-3-5-19(30)27-31/h6-9,15,31H,1-5,10-14,23H2,(H,27,30)	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	0.210	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant full length HDAC1 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...				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 1 (Homo sapiens (Human))	BDBM50543647 (CHEMBL4637357) Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2cc3ccccc3nc2OC)CC1 |r| Show InChI InChI=1S/C32H43N5O3/c1-4-23(38)12-7-6-8-14-27(35-30(39)25-20-32(25)15-17-37(5-2)18-16-32)29-33-21-28(34-29)24-19-22-11-9-10-13-26(22)36-31(24)40-3/h9-11,13,19,21,25,27H,4-8,12,14-18,20H2,1-3H3,(H,33,34)(H,35,39)/t25-,27+/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	0.220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length FLAG-tagged HDAC1 expressed in HEK293F cells using BML-KI104 as substrate in presence of SAHA as inhibito...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00462 BindingDB Entry DOI: 10.7270/Q2TH8RDR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50543647 (CHEMBL4637357) Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2cc3ccccc3nc2OC)CC1 |r| Show InChI InChI=1S/C32H43N5O3/c1-4-23(38)12-7-6-8-14-27(35-30(39)25-20-32(25)15-17-37(5-2)18-16-32)29-33-21-28(34-29)24-19-22-11-9-10-13-26(22)36-31(24)40-3/h9-11,13,19,21,25,27H,4-8,12,14-18,20H2,1-3H3,(H,33,34)(H,35,39)/t25-,27+/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	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of HDAC1 (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 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 US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	20
DOUBLE RIDER MEDICINE CO., LTD. US Patent					Assay Description Enzymatic activity was tested in 96-well or 384-well flat microwell plate by fluorescence detection and taking Ac-Lys-Tyr-Lys(Ac)-AMC as substrate. T...				US Patent US9695181 (2017) BindingDB Entry DOI: 10.7270/Q2RX9971
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50543643 (CHEMBL4642023) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCC(CC1)N(C)C)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r,wD:9.9,13.12,(21.19,-2.07,;19.64,-2.07,;18.88,-3.41,;19.65,-4.74,;17.34,-3.41,;16.57,-4.75,;15.03,-4.75,;14.26,-6.09,;12.72,-6.09,;11.95,-7.43,;12.72,-8.76,;14.27,-8.76,;15.03,-7.42,;15.03,-10.08,;15.04,-11.61,;16.36,-10.84,;17.12,-12.17,;18.64,-12.17,;19.41,-10.85,;18.65,-9.53,;17.12,-9.52,;20.94,-10.86,;21.7,-12.19,;21.72,-9.54,;10.41,-7.43,;9.64,-6.1,;8.13,-6.43,;7.98,-7.96,;9.39,-8.57,;6.66,-8.74,;5.32,-7.97,;3.99,-8.75,;2.65,-7.98,;1.32,-8.76,;1.32,-10.3,;2.66,-11.07,;3.99,-10.3,;5.33,-11.06,;6.66,-10.29,;8,-11.05,;8.01,-12.59,)| Show InChI InChI=1S/C33H45N5O3/c1-5-24(39)12-7-6-8-14-28(36-31(40)26-20-33(26)17-15-23(16-18-33)38(2)3)30-34-21-29(35-30)25-19-22-11-9-10-13-27(22)37-32(25)41-4/h9-11,13,19,21,23,26,28H,5-8,12,14-18,20H2,1-4H3,(H,34,35)(H,36,40)/t23?,26-,28+,33?/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	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of HDAC1 (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 1 (Homo sapiens (Human))	BDBM50354088 (CHEMBL1836142) Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](CCSC)C(=O)N2)OC(=O)C[C@@H]1O |r,t:14| Show InChI InChI=1S/C23H37N3O6S3/c1-4-14(2)21-18(27)12-20(29)32-15-7-5-6-9-34-35-13-17(23(31)26-21)25-22(30)16(8-10-33-3)24-19(28)11-15/h5,7,14-18,21,27H,4,6,8-13H2,1-3H3,(H,24,28)(H,25,30)(H,26,31)/b7-5+/t14-,15+,16+,17+,18-,21+/m0/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	0.280	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 1 hr by luminescence assay				Medchemcomm 3: 976-981 (2012) Article DOI: 10.1039/c2md20024d BindingDB Entry DOI: 10.7270/Q21G0Q7K
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50606543 (CHEMBL5218926) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc(cc1)-c1ccncc1 |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	0.280	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 1 (Homo sapiens (Human))	BDBM50055514 (CHEMBL3317810) Show SMILES C[C@@]12CSC(=N1)c1csc(CNC(=O)C[C@H](OC(=O)[C@H](Cc3ccccc3)NC2=O)\C=C\CCS)n1 |r,c:4| Show InChI InChI=1S/C25H28N4O4S3/c1-25-15-36-22(29-25)19-14-35-21(27-19)13-26-20(30)12-17(9-5-6-10-34)33-23(31)18(28-24(25)32)11-16-7-3-2-4-8-16/h2-5,7-9,14,17-18,34H,6,10-13,15H2,1H3,(H,26,30)(H,28,32)/b9-5+/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	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (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 1 (Homo sapiens (Human))	BDBM50543640 (CHEMBL4638264) Show SMILES CCN1CCC2(CC[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2cc3ccccc3nc2OC)CC1 |r| Show InChI InChI=1S/C33H45N5O3/c1-4-24(39)12-7-6-8-14-28(36-31(40)26-15-16-33(26)17-19-38(5-2)20-18-33)30-34-22-29(35-30)25-21-23-11-9-10-13-27(23)37-32(25)41-3/h9-11,13,21-22,26,28H,4-8,12,14-20H2,1-3H3,(H,34,35)(H,36,40)/t26-,28+/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	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of HDAC1 (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 1 (Homo sapiens (Human))	BDBM50568207 (CHEMBL4856631) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2c(ccn(C)c2=O)c1 |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 1 (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	0.300	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 1 (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	<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

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