Compile Data Set for Download or QSAR

Found 3688 hits of ic50 for UniProtKB: O15379   

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 3 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC3 (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 3 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant FLAG-tagged HDAC3 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 3 (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 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	0.0870	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length FLAG-tagged HDAC3 expressed in HEK293F cells in using BML-KI104 as substrate in presence of SAHA as inhib...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00462 BindingDB Entry DOI: 10.7270/Q2TH8RDR
					More data for this Ligand-Target Pair
Histone deacetylase 3 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0930	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of HDAC3 (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 3 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant FLAG-tagged HDAC3 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 3 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC3 (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 3 (Homo sapiens (Human))	BDBM50470576 (CHEMBL4294949) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN2CC(=C)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C24H21N3O2/c1-16-14-27(24(29)20-7-3-2-6-19(16)20)15-17-10-12-18(13-11-17)23(28)26-22-9-5-4-8-21(22)25/h2-13H,1,14-15,25H2,(H,26,28)	PDB 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 3 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of HDAC3 (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 3 (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 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 HDAC3 (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 3 (Homo sapiens (Human))	BDBM50552770 (CHEMBL4792257) Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2cc(C)ccc2OC)CC1 |r| Show InChI	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	<0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC3 (unknown origin) using compound purified by microgram-scale 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 3 (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 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 HDAC3 (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 3 (Homo sapiens (Human))	BDBM50552754 (CHEMBL4742026) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cn(C)c2ccccc12 |r| Show InChI	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC3 (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 3 (Homo sapiens (Human))	BDBM50552772 (CHEMBL4753460) Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2cc(ccc2OC)C(C)C)CC1 |r| Show InChI	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC3 (unknown origin) using compound purified by microgram-scale 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 3 (Homo sapiens (Human))	BDBM50552785 (CHEMBL4780974) Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)C2=CCC(C)N=C2OC)CC1 |r,c:33,t:28| Show InChI	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	<0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC3 (unknown origin) using compound purified by microgram-scale 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 3 (Homo sapiens (Human))	BDBM50552762 (CHEMBL4753452) Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2cc(Cl)ccc2OC)CC1 |r| Show InChI	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	<0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC3 (unknown origin) using compound purified by microgram-scale 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 3 (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 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
TBA					Assay Description Inhibition of human recombinant full length FLAG-tagged HDAC3 expressed in HEK293F cells in using BML-KI104 as substrate in presence of SAHA as inhib...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00462 BindingDB Entry DOI: 10.7270/Q2TH8RDR
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50584217 (CHEMBL5093099) Show SMILES CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(OC)ccc3o2)cc1 Show InChI	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	0.280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant HDAC3 using Boc-Lys(acetyl)-AMC substrate incubated for 2 hrs by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01472 BindingDB Entry DOI: 10.7270/Q28W3J6H
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50584228 (CHEMBL4597954) Show SMILES CCCNNC(=O)\C=C\c1ccc(CNCCc2c(C)[nH]c3ccccc23)cc1 Show InChI	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	0.280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant HDAC3 using Boc-Lys(acetyl)-AMC substrate incubated for 2 hrs by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01472 BindingDB Entry DOI: 10.7270/Q28W3J6H
					More data for this Ligand-Target Pair
Histone deacetylase 3 (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 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
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of HDAC3 (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 3 (Homo sapiens (Human))	BDBM50606571 (CHEMBL5220278) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc(o1)-c1cc2ccc(C)nc2cc1OC |r| Show InChI	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	<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 3 (Homo sapiens (Human))	BDBM50606566 (CHEMBL5220233) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cc2ccc(C)nc2cc1F |r| Show InChI	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	<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 3 (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 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 3 (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 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 3 (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 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
TBA					Assay Description IC50 measurements were conducted by BPS Biosciences (Table 1) or by Nanosyn (Table 1A) with an established fluorescence assay.				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SXJ
					More data for this Ligand-Target Pair
Histone deacetylase 3 (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 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 3 (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 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 HDAC3 (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 3 (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 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 3 (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 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 3 (Homo sapiens (Human))	BDBM50552760 (CHEMBL4745088) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cnc2ccccc2c1 |r| Show InChI	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC3 (unknown origin) using compound purified by microgram-scale 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 3 (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 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 3 (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 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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of HDAC3 (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 3 (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 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 3 (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 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 3 (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 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 3 (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 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 3 (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 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 3 (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 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 3 (Homo sapiens (Human))	BDBM50568213 (CHEMBL4869000) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCOCCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(27.19,-4.47,;25.79,-3.82,;24.56,-4.71,;24.69,-6.24,;23.15,-4.08,;21.91,-4.96,;20.51,-4.33,;19.26,-5.21,;17.87,-4.58,;16.62,-5.46,;16.76,-6.99,;18.16,-7.64,;19.41,-6.74,;18.31,-9.15,;19.19,-10.4,;17.67,-10.54,;16.29,-9.76,;14.94,-10.54,;14.93,-12.12,;16.3,-12.91,;17.68,-12.12,;13.54,-12.91,;12.05,-11.67,;10.16,-12.03,;8.16,-8.93,;4.6,-8.03,;3.64,-6.43,;4.15,-4.92,;5.72,-4.6,;6.21,-3.12,;7.73,-2.82,;8.75,-3.98,;10.24,-3.69,;11.27,-4.85,;10.77,-6.31,;9.28,-6.61,;8.26,-5.45,;6.74,-5.75,;6.23,-7.27,;12.76,-4.55,;13.4,-3.15,;14.93,-3.33,;15.22,-4.83,;13.9,-5.58,)| Show InChI	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	0.320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC3 (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 3 (Homo sapiens (Human))	BDBM50606546 (CHEMBL5218556) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nc(C)ccc2c1 |r| Show InChI	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	0.330	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 3 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of HDAC3 (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 3 (Homo sapiens (Human))	BDBM50606547 (CHEMBL5219006) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nc(CC)ccc2c1 |r| Show InChI	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	0.340	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 3 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of HDAC3 (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 3 (Homo sapiens (Human))	BDBM50606553 (CHEMBL5218586) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cc2cccnc2cc1OC |r| Show InChI	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	0.360	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 3 (Homo sapiens (Human))	BDBM50606565 (CHEMBL5219039) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cc2ccncc2nc1OC |r| Show InChI	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	0.370	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 3 (Homo sapiens (Human))	BDBM50584229 (CHEMBL5078985) Show SMILES CCCNNC(=O)c1ccc(CNC(=O)c2cc3ccccc3o2)cc1 Show InChI	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	0.380	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant HDAC3 using Boc-Lys(acetyl)-AMC substrate incubated for 2 hrs by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01472 BindingDB Entry DOI: 10.7270/Q28W3J6H
					More data for this Ligand-Target Pair
Histone deacetylase 3 (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 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	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of HDAC3 (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 3 (Homo sapiens (Human))	BDBM50606550 (CHEMBL5220616) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nc(ccc2c1)N1CCCC1 |r| Show InChI	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	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 3 (Homo sapiens (Human))	BDBM50606573 (CHEMBL5220454) Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc(o2)-c2cc3ccc(=O)n(C)c3cc2OC)CC1 |r| Show InChI	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	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 3 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.400	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 3 (Homo sapiens (Human))	BDBM19428 ((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...) Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+	PDB 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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Ricerche di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of flag-tagged HDAC3				Proc Natl Acad Sci USA 104: 17335-40 (2007) Article DOI: 10.1073/pnas.0706487104 BindingDB Entry DOI: 10.7270/Q2C82B5X
					More data for this Ligand-Target Pair

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