Compile Data Set for Download or QSAR

Found 125 hits with Last Name = 'van den heuvel' and Initial = 'm'   

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
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414981 (CHEMBL567417) Show SMILES CCCC1(CC)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1 Show InChI InChI=1S/C29H40N4O2/c1-3-10-29(4-2)19-24-22(6-5-7-26(24)35-29)21-32-15-11-28(12-16-32)13-17-33(18-14-28)27(34)25-9-8-23(30)20-31-25/h5-9,20H,3-4,10-19,21,30H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR8				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50414959 (CHEMBL409224) Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H33ClN2O3/c1-35-27-8-4-5-9-28(27)36-26-7-3-2-6-24(26)22-32-18-14-30(15-19-32)16-20-33(21-17-30)29(34)23-10-12-25(31)13-11-23/h2-13H,14-22H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human recombinant ERG expressed in HEK293 cells by patch clamp method				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414982 (CHEMBL579072) Show SMILES CC1(C)Oc2c(cccc2CN2CCC3(CC2)CCN(CC3)C(=O)c2ccc(N)cn2)C1(F)F Show InChI InChI=1S/C26H32F2N4O2/c1-24(2)26(27,28)20-5-3-4-18(22(20)34-24)17-31-12-8-25(9-13-31)10-14-32(15-11-25)23(33)21-7-6-19(29)16-30-21/h3-7,16H,8-15,17,29H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.63	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR8				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414974 (CHEMBL568523) Show SMILES CC1(C)Cc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccc(N)cn3)c2O1 Show InChI InChI=1S/C26H34N4O2/c1-25(2)16-19-4-3-5-20(23(19)32-25)18-29-12-8-26(9-13-29)10-14-30(15-11-26)24(31)22-7-6-21(27)17-28-22/h3-7,17H,8-16,18,27H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.63	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR8				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414980 (CHEMBL568294) Show SMILES CC(C)(C)C1(C)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1 Show InChI InChI=1S/C29H40N4O2/c1-27(2,3)28(4)18-23-21(6-5-7-25(23)35-28)20-32-14-10-29(11-15-32)12-16-33(17-13-29)26(34)24-9-8-22(30)19-31-24/h5-9,19H,10-18,20,30H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.82	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR8				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198484 (5-(5-((2-(benzofuran-4-yl)ethylamino)methyl)pyridi...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCCc2cccc3occc23)cn1 Show InChI InChI=1S/C21H19N3O3S/c25-21(24-26)20-7-6-19(28-20)17-5-4-14(13-23-17)12-22-10-8-15-2-1-3-18-16(15)9-11-27-18/h1-7,9,11,13,22,26H,8,10,12H2,(H,24,25)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414983 (CHEMBL574655) Show SMILES COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(CC3)C(=O)c2ccncn2)c1 Show InChI InChI=1S/C28H32N4O3/c1-34-25-7-2-3-8-26(25)35-23-6-4-5-22(19-23)20-31-15-10-28(11-16-31)12-17-32(18-13-28)27(33)24-9-14-29-21-30-24/h2-9,14,19,21H,10-13,15-18,20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR8				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414986 (CHEMBL568522) Show SMILES CC1(C)Oc2c(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccnc(N)c3)cccc2C=C1 |c:35| Show InChI InChI=1S/C27H34N4O2/c1-26(2)8-6-20-4-3-5-22(24(20)33-26)19-30-14-9-27(10-15-30)11-16-31(17-12-27)25(32)21-7-13-29-23(28)18-21/h3-8,13,18H,9-12,14-17,19H2,1-2H3,(H2,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.62	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR8				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198461 (5-(5-((2-chlorophenethylamino)methyl)pyridin-2-yl)...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCCc2ccccc2Cl)cn1 Show InChI InChI=1S/C19H18ClN3O2S/c20-15-4-2-1-3-14(15)9-10-21-11-13-5-6-16(22-12-13)17-7-8-18(26-17)19(24)23-25/h1-8,12,21,25H,9-11H2,(H,23,24)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50414958 (CHEMBL259243) Show SMILES Clc1ccc(cc1)C(=O)N1CCC2(CCN(Cc3ccccc3Oc3ccccc3)CC2)CC1 Show InChI InChI=1S/C29H31ClN2O2/c30-25-12-10-23(11-13-25)28(33)32-20-16-29(17-21-32)14-18-31(19-15-29)22-24-6-4-5-9-27(24)34-26-7-2-1-3-8-26/h1-13H,14-22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.46	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human recombinant ERG expressed in HEK293 cells by patch clamp method				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414975 (CHEMBL584087) Show SMILES CC1(C)Oc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccnc(N)c3)c2O1 Show InChI InChI=1S/C25H32N4O3/c1-24(2)31-20-5-3-4-19(22(20)32-24)17-28-12-7-25(8-13-28)9-14-29(15-10-25)23(30)18-6-11-27-21(26)16-18/h3-6,11,16H,7-10,12-15,17H2,1-2H3,(H2,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.61	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR8				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198462 (5-(5-((biphenyl-4-ylmethylamino)methyl)pyridin-2-y...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCc2ccc(cc2)-c2ccccc2)cn1 Show InChI InChI=1S/C24H21N3O2S/c28-24(27-29)23-13-12-22(30-23)21-11-8-18(16-26-21)15-25-14-17-6-9-20(10-7-17)19-4-2-1-3-5-19/h1-13,16,25,29H,14-15H2,(H,27,28)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198480 (5-(5-((2-chlorobenzylamino)methyl)pyridin-2-yl)-N-...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCc2ccccc2Cl)cn1 Show InChI InChI=1S/C18H16ClN3O2S/c19-14-4-2-1-3-13(14)11-20-9-12-5-6-15(21-10-12)16-7-8-17(25-16)18(23)22-24/h1-8,10,20,24H,9,11H2,(H,22,23)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198469 (CHEMBL441699 | N-hydroxy-5-(5-((2-methylphenethyla...) Show SMILES Cc1ccccc1CCNCc1ccc(nc1)-c1ccc(s1)C(=O)NO Show InChI InChI=1S/C20H21N3O2S/c1-14-4-2-3-5-16(14)10-11-21-12-15-6-7-17(22-13-15)18-8-9-19(26-18)20(24)23-25/h2-9,13,21,25H,10-12H2,1H3,(H,23,24)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198473 (5-(5-((2-(1H-indol-3-yl)ethylamino)methyl)pyridin-...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCCc2c[nH]c3ccccc23)cn1 Show InChI InChI=1S/C21H20N4O2S/c26-21(25-27)20-8-7-19(28-20)18-6-5-14(12-23-18)11-22-10-9-15-13-24-17-4-2-1-3-16(15)17/h1-8,12-13,22,24,27H,9-11H2,(H,25,26)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198475 (5-(5-((benzo[d][1,3]dioxol-5-ylmethylamino)methyl)...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCc2ccc3OCOc3c2)cn1 Show InChI InChI=1S/C19H17N3O4S/c23-19(22-24)18-6-5-17(27-18)14-3-1-13(10-21-14)9-20-8-12-2-4-15-16(7-12)26-11-25-15/h1-7,10,20,24H,8-9,11H2,(H,22,23)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414978 (CHEMBL566543) Show SMILES CC1(C)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1 Show InChI InChI=1S/C26H34N4O2/c1-25(2)16-21-19(4-3-5-23(21)32-25)18-29-12-8-26(9-13-29)10-14-30(15-11-26)24(31)22-7-6-20(27)17-28-22/h3-7,17H,8-16,18,27H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR8				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198478 (5-(5-(2-(benzylamino)ethyl)pyridin-2-yl)-N-hydroxy...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CCNCc2ccccc2)cn1 Show InChI InChI=1S/C19H19N3O2S/c23-19(22-24)18-9-8-17(25-18)16-7-6-15(13-21-16)10-11-20-12-14-4-2-1-3-5-14/h1-9,13,20,24H,10-12H2,(H,22,23)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198470 (CHEMBL436964 | N-hydroxy-5-(5-((3-methylphenethyla...) Show SMILES Cc1cccc(CCNCc2ccc(nc2)-c2ccc(s2)C(=O)NO)c1 Show InChI InChI=1S/C20H21N3O2S/c1-14-3-2-4-15(11-14)9-10-21-12-16-5-6-17(22-13-16)18-7-8-19(26-18)20(24)23-25/h2-8,11,13,21,25H,9-10,12H2,1H3,(H,23,24)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198454 (5-(5-((4-chlorobenzylamino)methyl)pyridin-2-yl)-N-...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCc2ccc(Cl)cc2)cn1 Show InChI InChI=1S/C18H16ClN3O2S/c19-14-4-1-12(2-5-14)9-20-10-13-3-6-15(21-11-13)16-7-8-17(25-16)18(23)22-24/h1-8,11,20,24H,9-10H2,(H,22,23)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198463 (5-(5-((4-fluorophenethylamino)methyl)pyridin-2-yl)...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCCc2ccc(F)cc2)cn1 Show InChI InChI=1S/C19H18FN3O2S/c20-15-4-1-13(2-5-15)9-10-21-11-14-3-6-16(22-12-14)17-7-8-18(26-17)19(24)23-25/h1-8,12,21,25H,9-11H2,(H,23,24)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198472 (5-(5-(2-(benzo[d][1,3]dioxol-5-ylmethylamino)ethyl...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CCNCc2ccc3OCOc3c2)cn1 Show InChI InChI=1S/C20H19N3O4S/c24-20(23-25)19-6-5-18(28-19)15-3-1-13(11-22-15)7-8-21-10-14-2-4-16-17(9-14)27-12-26-16/h1-6,9,11,21,25H,7-8,10,12H2,(H,23,24)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198453 (5-(5-(((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCc2ccc3OCCOc3c2)cn1 Show InChI InChI=1S/C20H19N3O4S/c24-20(23-25)19-6-5-18(28-19)15-3-1-14(12-22-15)11-21-10-13-2-4-16-17(9-13)27-8-7-26-16/h1-6,9,12,21,25H,7-8,10-11H2,(H,23,24)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198465 (CHEMBL387247 | N-hydroxy-5-(5-((2-phenoxyethylamin...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCCOc2ccccc2)cn1 Show InChI InChI=1S/C19H19N3O3S/c23-19(22-24)18-9-8-17(26-18)16-7-6-14(13-21-16)12-20-10-11-25-15-4-2-1-3-5-15/h1-9,13,20,24H,10-12H2,(H,22,23)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414964 (CHEMBL271128) Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1 Show InChI InChI=1S/C29H33N3O3/c1-34-26-8-4-5-9-27(26)35-25-7-3-2-6-24(25)22-31-18-12-29(13-19-31)14-20-32(21-15-29)28(33)23-10-16-30-17-11-23/h2-11,16-17H,12-15,18-22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR8				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198466 (5-(5-((2-fluorophenethylamino)methyl)pyridin-2-yl)...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCCc2ccccc2F)cn1 Show InChI InChI=1S/C19H18FN3O2S/c20-15-4-2-1-3-14(15)9-10-21-11-13-5-6-16(22-12-13)17-7-8-18(26-17)19(24)23-25/h1-8,12,21,25H,9-11H2,(H,23,24)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198455 (CHEMBL217531 | N-hydroxy-5-(5-((phenethylamino)met...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCCc2ccccc2)cn1 Show InChI InChI=1S/C19H19N3O2S/c23-19(22-24)18-9-8-17(25-18)16-7-6-15(13-21-16)12-20-11-10-14-4-2-1-3-5-14/h1-9,13,20,24H,10-12H2,(H,22,23)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198464 (5-(5-(2-(4-fluorobenzylamino)ethyl)pyridin-2-yl)-N...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CCNCc2ccc(F)cc2)cn1 Show InChI InChI=1S/C19H18FN3O2S/c20-15-4-1-13(2-5-15)11-21-10-9-14-3-6-16(22-12-14)17-7-8-18(26-17)19(24)23-25/h1-8,12,21,25H,9-11H2,(H,23,24)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198468 (CHEMBL216896 | N-hydroxy-5-(5-((4-methylphenethyla...) Show SMILES Cc1ccc(CCNCc2ccc(nc2)-c2ccc(s2)C(=O)NO)cc1 Show InChI InChI=1S/C20H21N3O2S/c1-14-2-4-15(5-3-14)10-11-21-12-16-6-7-17(22-13-16)18-8-9-19(26-18)20(24)23-25/h2-9,13,21,25H,10-12H2,1H3,(H,23,24)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414966 (CHEMBL573216) Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncn1 Show InChI InChI=1S/C28H32N4O3/c1-34-25-8-4-5-9-26(25)35-24-7-3-2-6-22(24)20-31-16-11-28(12-17-31)13-18-32(19-14-28)27(33)23-10-15-29-21-30-23/h2-10,15,21H,11-14,16-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR8				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198483 (5-(5-((benzylamino)methyl)pyridin-2-yl)-N-hydroxyt...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCc2ccccc2)cn1 Show InChI InChI=1S/C18H17N3O2S/c22-18(21-23)17-9-8-16(24-17)15-7-6-14(12-20-15)11-19-10-13-4-2-1-3-5-13/h1-9,12,19,23H,10-11H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198474 (CHEMBL263570 | N-hydroxy-5-(5-((phenylamino)methyl...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNc2ccccc2)cn1 Show InChI InChI=1S/C17H15N3O2S/c21-17(20-22)16-9-8-15(23-16)14-7-6-12(11-19-14)10-18-13-4-2-1-3-5-13/h1-9,11,18,22H,10H2,(H,20,21)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198458 (CHEMBL385934 | N-hydroxy-5-(5-((2-methoxyphenethyl...) Show SMILES COc1ccccc1CCNCc1ccc(nc1)-c1ccc(s1)C(=O)NO Show InChI InChI=1S/C20H21N3O3S/c1-26-17-5-3-2-4-15(17)10-11-21-12-14-6-7-16(22-13-14)18-8-9-19(27-18)20(24)23-25/h2-9,13,21,25H,10-12H2,1H3,(H,23,24)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414967 (CHEMBL271801) Show SMILES O=C(N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1)c1ccncc1 Show InChI InChI=1S/C28H31N3O2/c32-27(24-9-15-29-16-10-24)31-19-13-28(14-20-31)11-17-30(18-12-28)22-23-5-4-8-26(21-23)33-25-6-2-1-3-7-25/h1-10,15-16,21H,11-14,17-20,22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17.4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR8				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198456 (CHEMBL217529 | N-hydroxy-5-(5-((3-phenylpropylamin...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCCCc2ccccc2)cn1 Show InChI InChI=1S/C20H21N3O2S/c24-20(23-25)19-11-10-18(26-19)17-9-8-16(14-22-17)13-21-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,21,25H,4,7,12-13H2,(H,23,24)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414957 (CHEMBL429436) Show SMILES Clc1ccc(cc1)C(=O)N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1 Show InChI InChI=1S/C29H31ClN2O2/c30-25-11-9-24(10-12-25)28(33)32-19-15-29(16-20-32)13-17-31(18-14-29)22-23-5-4-8-27(21-23)34-26-6-2-1-3-7-26/h1-12,21H,13-20,22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR8				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414976 (CHEMBL566324) Show SMILES CC1(C)Cc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ncccc3N)c2O1 Show InChI InChI=1S/C26H34N4O2/c1-25(2)17-19-5-3-6-20(23(19)32-25)18-29-13-8-26(9-14-29)10-15-30(16-11-26)24(31)22-21(27)7-4-12-28-22/h3-7,12H,8-11,13-18,27H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22.4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR8				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414977 (CHEMBL567627) Show SMILES CC1(C)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccnc(N)c1 Show InChI InChI=1S/C26H34N4O2/c1-25(2)17-21-20(4-3-5-22(21)32-25)18-29-12-7-26(8-13-29)9-14-30(15-10-26)24(31)19-6-11-28-23(27)16-19/h3-6,11,16H,7-10,12-15,17-18H2,1-2H3,(H2,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22.4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR8				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414968 (CHEMBL410885) Show SMILES O=C(N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1)c1ccncn1 Show InChI InChI=1S/C27H30N4O2/c32-26(25-9-14-28-21-29-25)31-17-12-27(13-18-31)10-15-30(16-11-27)20-22-5-4-8-24(19-22)33-23-6-2-1-3-7-23/h1-9,14,19,21H,10-13,15-18,20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR8				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198218 (5-(1-(2-(benzo[d][1,3]dioxol-5-ylmethylamino)ethyl...) Show SMILES ONC(=O)c1ccc(s1)-c1ccn(CCNCc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C18H18N4O4S/c23-18(21-24)17-4-3-16(27-17)13-5-7-22(20-13)8-6-19-10-12-1-2-14-15(9-12)26-11-25-14/h1-5,7,9,19,24H,6,8,10-11H2,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198482 (5-(5-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)pyri...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CN2CCc3ccccc3C2)cn1 Show InChI InChI=1S/C20H19N3O2S/c24-20(22-25)19-8-7-18(26-19)17-6-5-14(11-21-17)12-23-10-9-15-3-1-2-4-16(15)13-23/h1-8,11,25H,9-10,12-13H2,(H,22,24)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50414964 (CHEMBL271128) Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1 Show InChI InChI=1S/C29H33N3O3/c1-34-26-8-4-5-9-27(26)35-25-7-3-2-6-24(25)22-31-18-12-29(13-19-31)14-20-32(21-15-29)28(33)23-10-16-30-17-11-23/h2-11,16-17H,12-15,18-22H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30.2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human recombinant ERG expressed in HEK293 cells by patch clamp method				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414979 (CHEMBL583621) Show SMILES CC1(C)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1 Show InChI InChI=1S/C26H33N3O2/c1-25(2)18-22-21(4-3-5-23(22)31-25)19-28-14-8-26(9-15-28)10-16-29(17-11-26)24(30)20-6-12-27-13-7-20/h3-7,12-13H,8-11,14-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30.9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR8				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198471 (CHEMBL279353 | N-hydroxy-5-(5-(2-(phenethylamino)e...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CCNCCc2ccccc2)cn1 Show InChI InChI=1S/C20H21N3O2S/c24-20(23-25)19-9-8-18(26-19)17-7-6-16(14-22-17)11-13-21-12-10-15-4-2-1-3-5-15/h1-9,14,21,25H,10-13H2,(H,23,24)	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	31	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414969 (CHEMBL272022) Show SMILES COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(CC3)C(=O)c2cc[n+]([O-])cc2)c1 Show InChI InChI=1S/C29H33N3O4/c1-35-26-7-2-3-8-27(26)36-25-6-4-5-23(21-25)22-30-17-11-29(12-18-30)13-19-31(20-14-29)28(33)24-9-15-32(34)16-10-24/h2-10,15-16,21H,11-14,17-20,22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32.4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR8				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414959 (CHEMBL409224) Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H33ClN2O3/c1-35-27-8-4-5-9-28(27)36-26-7-3-2-6-24(26)22-32-18-14-30(15-19-32)16-20-33(21-17-30)29(34)23-10-12-25(31)13-11-23/h2-13H,14-22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34.7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR8				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198459 (5-(5-((benzyl(methyl)amino)methyl)pyridin-2-yl)-N-...) Show SMILES CN(Cc1ccccc1)Cc1ccc(nc1)-c1ccc(s1)C(=O)NO Show InChI InChI=1S/C19H19N3O2S/c1-22(12-14-5-3-2-4-6-14)13-15-7-8-16(20-11-15)17-9-10-18(25-17)19(23)21-24/h2-11,24H,12-13H2,1H3,(H,21,23)	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50414964 (CHEMBL271128) Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1 Show InChI InChI=1S/C29H33N3O3/c1-34-26-8-4-5-9-27(26)35-25-7-3-2-6-24(25)22-31-18-12-29(13-19-31)14-20-32(21-15-29)28(33)23-10-16-30-17-11-23/h2-11,16-17H,12-15,18-22H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45.7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of wild type human ERG expressed in CHOK1 cells by whole-cell plate-based electrophysiology				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414970 (CHEMBL583843) Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc[nH]c1=O Show InChI InChI=1S/C29H33N3O4/c1-35-25-10-4-5-11-26(25)36-24-9-3-2-7-22(24)21-31-17-12-29(13-18-31)14-19-32(20-15-29)28(34)23-8-6-16-30-27(23)33/h2-11,16H,12-15,17-21H2,1H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	55.0	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR8				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50414966 (CHEMBL573216) Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncn1 Show InChI InChI=1S/C28H32N4O3/c1-34-25-8-4-5-9-26(25)35-24-7-3-2-6-22(24)20-31-16-11-28(12-17-31)13-18-32(19-14-28)27(33)23-10-15-29-21-30-23/h2-10,15,21H,11-14,16-20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70.8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of wild type human ERG expressed in CHOK1 cells by whole-cell plate-based electrophysiology				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair

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