Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'greenwood' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50365855 (CHEMBL1957843) Show SMILES CC[C@]1([C@H]2CN(CC3Cc4ccccc4C3O)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C24H30N2O3S/c1-3-24(18-8-6-9-19(12-18)25-30(2,28)29)21-14-26(15-22(21)24)13-17-11-16-7-4-5-10-20(16)23(17)27/h4-10,12,17,21-23,25,27H,3,11,13-15H2,1-2H3/t17?,21-,22+,23?,24+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor by GTP-gamma S binding assay				Bioorg Med Chem Lett 22: 2200-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.099 BindingDB Entry DOI: 10.7270/Q2M90958
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50365855 (CHEMBL1957843) Show SMILES CC[C@]1([C@H]2CN(CC3Cc4ccccc4C3O)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C24H30N2O3S/c1-3-24(18-8-6-9-19(12-18)25-30(2,28)29)21-14-26(15-22(21)24)13-17-11-16-7-4-5-10-20(16)23(17)27/h4-10,12,17,21-23,25,27H,3,11,13-15H2,1-2H3/t17?,21-,22+,23?,24+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor				Bioorg Med Chem Lett 22: 2200-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.099 BindingDB Entry DOI: 10.7270/Q2M90958
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50365853 (CHEMBL1957717) Show SMILES C[C@]1([C@H]2CN(CC3Cc4ccccc4C3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C23H28N2O2S/c1-23(19-8-5-9-20(12-19)24-28(2,26)27)21-14-25(15-22(21)23)13-16-10-17-6-3-4-7-18(17)11-16/h3-9,12,16,21-22,24H,10-11,13-15H2,1-2H3/t21-,22+,23+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor by GTP-gamma S binding assay				Bioorg Med Chem Lett 22: 2200-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.099 BindingDB Entry DOI: 10.7270/Q2M90958
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50365853 (CHEMBL1957717) Show SMILES C[C@]1([C@H]2CN(CC3Cc4ccccc4C3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C23H28N2O2S/c1-23(19-8-5-9-20(12-19)24-28(2,26)27)21-14-25(15-22(21)23)13-16-10-17-6-3-4-7-18(17)11-16/h3-9,12,16,21-22,24H,10-11,13-15H2,1-2H3/t21-,22+,23+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor				Bioorg Med Chem Lett 22: 2200-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.099 BindingDB Entry DOI: 10.7270/Q2M90958
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50365854 (CHEMBL1957842) Show SMILES CC[C@]1([C@H]2CN(CC(O)Cc3ccccc3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C23H30N2O3S/c1-3-23(18-10-7-11-19(13-18)24-29(2,27)28)21-15-25(16-22(21)23)14-20(26)12-17-8-5-4-6-9-17/h4-11,13,20-22,24,26H,3,12,14-16H2,1-2H3/t20?,21-,22+,23+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor by GTP-gamma S binding assay				Bioorg Med Chem Lett 22: 2200-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.099 BindingDB Entry DOI: 10.7270/Q2M90958
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50349228 (CHEMBL1808384) Show SMILES C[C@]1([C@H]2CN(CCCc3ccccc3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C22H28N2O2S/c1-22(18-11-6-12-19(14-18)23-27(2,25)26)20-15-24(16-21(20)22)13-7-10-17-8-4-3-5-9-17/h3-6,8-9,11-12,14,20-21,23H,7,10,13,15-16H2,1-2H3/t20-,21+,22+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor by GTP-gamma S binding assay				Bioorg Med Chem Lett 22: 2200-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.099 BindingDB Entry DOI: 10.7270/Q2M90958
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50349228 (CHEMBL1808384) Show SMILES C[C@]1([C@H]2CN(CCCc3ccccc3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C22H28N2O2S/c1-22(18-11-6-12-19(14-18)23-27(2,25)26)20-15-24(16-21(20)22)13-7-10-17-8-4-3-5-9-17/h3-6,8-9,11-12,14,20-21,23H,7,10,13,15-16H2,1-2H3/t20-,21+,22+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor				Bioorg Med Chem Lett 22: 2200-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.099 BindingDB Entry DOI: 10.7270/Q2M90958
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50365854 (CHEMBL1957842) Show SMILES CC[C@]1([C@H]2CN(CC(O)Cc3ccccc3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C23H30N2O3S/c1-3-23(18-10-7-11-19(13-18)24-29(2,27)28)21-15-25(16-22(21)23)14-20(26)12-17-8-5-4-6-9-17/h4-11,13,20-22,24,26H,3,12,14-16H2,1-2H3/t20?,21-,22+,23+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor				Bioorg Med Chem Lett 22: 2200-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.099 BindingDB Entry DOI: 10.7270/Q2M90958
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541233 (CHEMBL4638227) Show SMILES Cl.CC(=O)Nc1ccc2CN(Cc2c1)C(=O)[C@H](N)Cc1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C19H19Cl2N3O2.ClH/c1-11(25)23-16-5-3-13-9-24(10-14(13)6-16)19(26)18(22)7-12-2-4-15(20)8-17(12)21;/h2-6,8,18H,7,9-10,22H2,1H3,(H,23,25);1H/t18-;/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	101	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541238 (CHEMBL4641181) Show SMILES Cl.N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1Cc2ccc(N)cc2C1 |r| Show InChI InChI=1S/C17H17Cl2N3O.ClH/c18-13-3-1-10(15(19)7-13)6-16(21)17(23)22-8-11-2-4-14(20)5-12(11)9-22;/h1-5,7,16H,6,8-9,20-21H2;1H/t16-;/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	130	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541237 (CHEMBL4641186) Show SMILES Cl.Cl.CNCc1ccc2CN(Cc2c1)C(=O)[C@H](N)Cc1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C19H21Cl2N3O.2ClH/c1-23-9-12-2-3-14-10-24(11-15(14)6-12)19(25)18(22)7-13-4-5-16(20)8-17(13)21;;/h2-6,8,18,23H,7,9-11,22H2,1H3;2*1H/t18-;;/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	176	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50350236 (CHEMBL1812335) Show SMILES N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1Cc2ccccc2C1 |r| Show InChI InChI=1S/C17H16Cl2N2O/c18-14-6-5-11(15(19)8-14)7-16(20)17(22)21-9-12-3-1-2-4-13(12)10-21/h1-6,8,16H,7,9-10,20H2/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541234 (CHEMBL4642040) Show SMILES Cl.N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1Cc2ccc(NC(=O)Cc3ccccc3)cc2C1 |r| Show InChI InChI=1S/C25H23Cl2N3O2.ClH/c26-20-8-6-17(22(27)13-20)12-23(28)25(32)30-14-18-7-9-21(11-19(18)15-30)29-24(31)10-16-4-2-1-3-5-16;/h1-9,11,13,23H,10,12,14-15,28H2,(H,29,31);1H/t23-;/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	232	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541236 (CHEMBL4635348) Show SMILES Cl.CNC(=O)c1ccc2CN(Cc2c1)C(=O)[C@H](N)Cc1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C19H19Cl2N3O2.ClH/c1-23-18(25)12-2-3-13-9-24(10-14(13)6-12)19(26)17(22)7-11-4-5-15(20)8-16(11)21;/h2-6,8,17H,7,9-10,22H2,1H3,(H,23,25);1H/t17-;/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	258	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541235 (CHEMBL4640878) Show SMILES Cl.N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1Cc2ccc(NC(=O)CCc3ccccc3)cc2C1 |r| Show InChI InChI=1S/C26H25Cl2N3O2.ClH/c27-21-9-7-18(23(28)14-21)13-24(29)26(33)31-15-19-8-10-22(12-20(19)16-31)30-25(32)11-6-17-4-2-1-3-5-17;/h1-5,7-10,12,14,24H,6,11,13,15-16,29H2,(H,30,32);1H/t24-;/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	259	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541228 (CHEMBL4634649) Show SMILES Cl.N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C19H19Cl2N3O.ClH/c20-14-6-5-12(16(21)10-14)9-17(22)19(25)23-8-7-13-11-24-18-4-2-1-3-15(13)18;/h1-6,10-11,17,24H,7-9,22H2,(H,23,25);1H/t17-;/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	970	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541212 (CHEMBL4633506) Show SMILES Cl.N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C1 |r| Show InChI InChI=1S/C17H18N2O.ClH/c18-16(10-13-6-2-1-3-7-13)17(20)19-11-14-8-4-5-9-15(14)12-19;/h1-9,16H,10-12,18H2;1H/t16-;/m1./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541225 (CHEMBL4633533) Show SMILES Cl.N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCc1ccc(O)cc1 |r| Show InChI InChI=1S/C17H18Cl2N2O2.ClH/c18-13-4-3-12(15(19)10-13)9-16(20)17(23)21-8-7-11-1-5-14(22)6-2-11;/h1-6,10,16,22H,7-9,20H2,(H,21,23);1H/t16-;/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	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541229 (CHEMBL4639748) Show SMILES Cl.N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCc1c[nH]c2ccc(O)cc12 |r| Show InChI InChI=1S/C19H19Cl2N3O2.ClH/c20-13-2-1-11(16(21)8-13)7-17(22)19(26)23-6-5-12-10-24-18-4-3-14(25)9-15(12)18;/h1-4,8-10,17,24-25H,5-7,22H2,(H,23,26);1H/t17-;/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	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541230 (CHEMBL4645791) Show SMILES Cl.N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCCc1ccccc1 |r| Show InChI InChI=1S/C18H20Cl2N2O.ClH/c19-15-9-8-14(16(20)12-15)11-17(21)18(23)22-10-4-7-13-5-2-1-3-6-13;/h1-3,5-6,8-9,12,17H,4,7,10-11,21H2,(H,22,23);1H/t17-;/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	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541209 (CHEMBL4649787) Show SMILES Cl.N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCc2ccccc2C1 |r| Show InChI InChI=1S/C18H18Cl2N2O.ClH/c19-15-6-5-13(16(20)10-15)9-17(21)18(23)22-8-7-12-3-1-2-4-14(12)11-22;/h1-6,10,17H,7-9,11,21H2;1H/t17-;/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	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541226 (CHEMBL4645162) Show SMILES Cl.N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCc1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H18Cl2N2O3.ClH/c18-12-3-2-11(13(19)9-12)8-14(20)17(24)21-6-5-10-1-4-15(22)16(23)7-10;/h1-4,7,9,14,22-23H,5-6,8,20H2,(H,21,24);1H/t14-;/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	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541224 (CHEMBL4634256) Show SMILES Cl.N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C17H18Cl2N2O.ClH/c18-14-7-6-13(15(19)11-14)10-16(20)17(22)21-9-8-12-4-2-1-3-5-12;/h1-7,11,16H,8-10,20H2,(H,21,22);1H/t16-;/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	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541218 (CHEMBL4638376) Show SMILES Cl.COc1ccc(NC(=O)[C@H](N)Cc2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C16H16Cl2N2O2.ClH/c1-22-13-6-4-12(5-7-13)20-16(21)15(19)8-10-2-3-11(17)9-14(10)18;/h2-7,9,15H,8,19H2,1H3,(H,20,21);1H/t15-;/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	2.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541223 (CHEMBL4648086) Show SMILES Cl.N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1cccs1 |r| Show InChI InChI=1S/C14H14Cl2N2OS.ClH/c15-10-4-3-9(12(16)7-10)6-13(17)14(19)18-8-11-2-1-5-20-11;/h1-5,7,13H,6,8,17H2,(H,18,19);1H/t13-;/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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541227 (CHEMBL4635718) Show SMILES Cl.N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCc1cccnc1 |r| Show InChI InChI=1S/C16H17Cl2N3O.ClH/c17-13-4-3-12(14(18)9-13)8-15(19)16(22)21-7-5-11-2-1-6-20-10-11;/h1-4,6,9-10,15H,5,7-8,19H2,(H,21,22);1H/t15-;/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	3.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541214 (CHEMBL4645826) Show SMILES Cl.N[C@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C1 |r| Show InChI InChI=1S/C17H18N2O2.ClH/c18-16(9-12-5-7-15(20)8-6-12)17(21)19-10-13-3-1-2-4-14(13)11-19;/h1-8,16,20H,9-11,18H2;1H/t16-;/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	4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541219 (CHEMBL4642580) Show SMILES Cl.N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C16H16Cl2N2O.ClH/c17-13-7-6-12(14(18)9-13)8-15(19)16(21)20-10-11-4-2-1-3-5-11;/h1-7,9,15H,8,10,19H2,(H,20,21);1H/t15-;/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	4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541232 (CHEMBL4634340) Show SMILES Cl.N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NC1Cc2ccccc2C1 |r| Show InChI InChI=1S/C18H18Cl2N2O.ClH/c19-14-6-5-13(16(20)10-14)9-17(21)18(23)22-15-7-11-3-1-2-4-12(11)8-15;/h1-6,10,15,17H,7-9,21H2,(H,22,23);1H/t17-;/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	8.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50541233 (CHEMBL4638227) Show SMILES Cl.CC(=O)Nc1ccc2CN(Cc2c1)C(=O)[C@H](N)Cc1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C19H19Cl2N3O2.ClH/c1-11(25)23-16-5-3-13-9-24(10-14(13)6-16)19(26)18(22)7-12-2-4-15(20)8-17(12)21;/h2-6,8,18H,7,9-10,22H2,1H3,(H,23,25);1H/t18-;/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	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541231 (CHEMBL4641346) Show SMILES Cl.N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2[nH]c3ccccc3c2c1 |r| Show InChI InChI=1S/C21H17Cl2N3O.ClH/c22-13-6-5-12(17(23)10-13)9-18(24)21(27)25-14-7-8-20-16(11-14)15-3-1-2-4-19(15)26-20;/h1-8,10-11,18,26H,9,24H2,(H,25,27);1H/t18-;/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	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541213 (CHEMBL4642931) Show SMILES Cl.N[C@H](Cc1ccccc1)C(=O)N1CCc2ccccc2C1 |r| Show InChI InChI=1S/C18H20N2O.ClH/c19-17(12-14-6-2-1-3-7-14)18(21)20-11-10-15-8-4-5-9-16(15)13-20;/h1-9,17H,10-13,19H2;1H/t17-;/m1./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541210 (CHEMBL4637427) Show SMILES Cl.CN1CCN(CC1)C(=O)[C@H](N)Cc1ccccc1 |r| Show InChI InChI=1S/C14H21N3O.ClH/c1-16-7-9-17(10-8-16)14(18)13(15)11-12-5-3-2-4-6-12;/h2-6,13H,7-11,15H2,1H3;1H/t13-;/m1./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541217 (CHEMBL4634329) Show SMILES Cl.CNC(=O)[C@H](N)Cc1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C10H12Cl2N2O.ClH/c1-14-10(15)9(13)4-6-2-3-7(11)5-8(6)12;/h2-3,5,9H,4,13H2,1H3,(H,14,15);1H/t9-;/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	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541222 (CHEMBL4644336) Show SMILES Cl.COc1ccc(CNC(=O)[C@H](N)Cc2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C17H18Cl2N2O2.ClH/c1-23-14-6-2-11(3-7-14)10-21-17(22)16(20)8-12-4-5-13(18)9-15(12)19;/h2-7,9,16H,8,10,20H2,1H3,(H,21,22);1H/t16-;/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	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541215 (CHEMBL4641495) Show SMILES Cl.N[C@H](Cc1ccc(O)cc1)C(=O)N1CCc2ccccc2C1 |r| Show InChI InChI=1S/C18H20N2O2.ClH/c19-17(11-13-5-7-16(21)8-6-13)18(22)20-10-9-14-3-1-2-4-15(14)12-20;/h1-8,17,21H,9-12,19H2;1H/t17-;/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	2.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541220 (CHEMBL4647738) Show SMILES Cl.C[C@@H](NC(=O)[C@H](N)Cc1ccc(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H18Cl2N2O.ClH/c1-11(12-5-3-2-4-6-12)21-17(22)16(20)9-13-7-8-14(18)10-15(13)19;/h2-8,10-11,16H,9,20H2,1H3,(H,21,22);1H/t11-,16-;/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	2.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50541233 (CHEMBL4638227) Show SMILES Cl.CC(=O)Nc1ccc2CN(Cc2c1)C(=O)[C@H](N)Cc1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C19H19Cl2N3O2.ClH/c1-11(25)23-16-5-3-13-9-24(10-14(13)6-16)19(26)18(22)7-12-2-4-15(20)8-17(12)21;/h2-6,8,18H,7,9-10,22H2,1H3,(H,23,25);1H/t18-;/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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50541233 (CHEMBL4638227) Show SMILES Cl.CC(=O)Nc1ccc2CN(Cc2c1)C(=O)[C@H](N)Cc1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C19H19Cl2N3O2.ClH/c1-11(25)23-16-5-3-13-9-24(10-14(13)6-16)19(26)18(22)7-12-2-4-15(20)8-17(12)21;/h2-6,8,18H,7,9-10,22H2,1H3,(H,23,25);1H/t18-;/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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541221 (CHEMBL4633689) Show SMILES Cl.C[C@H](NC(=O)[C@H](N)Cc1ccc(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H18Cl2N2O.ClH/c1-11(12-5-3-2-4-6-12)21-17(22)16(20)9-13-7-8-14(18)10-15(13)19;/h2-8,10-11,16H,9,20H2,1H3,(H,21,22);1H/t11-,16+;/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	7.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541216 (CHEMBL4633276) Show SMILES N[C@H](Cc1ccc(Cl)cc1Cl)C(O)=O |r| Show InChI InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/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	4.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50541211 (CHEMBL4647039) Show SMILES Cl.N[C@H](Cc1ccccc1)C(=O)N1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C19H23N3O.ClH/c20-18(15-16-7-3-1-4-8-16)19(23)22-13-11-21(12-14-22)17-9-5-2-6-10-17;/h1-10,18H,11-15,20H2;1H/t18-;/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	>6.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126926 BindingDB Entry DOI: 10.7270/Q2542S35
					More data for this Ligand-Target Pair