Compile Data Set for Download or QSAR

Found 194 hits with Last Name = 'duffy' 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
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50550643 (CHEMBL4749207) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human 20S constitutive proteasome beta 5 subunit assessed as equilibrium constant using fluorogenic peptide Ac-WLA-AMC as substra...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50518449 (CHEMBL4435950) Show SMILES CC(C)(C)CC(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C20H21F3N2O3/c1-20(2,3)10-16(26)24-18(19(27)25-28)12-6-4-11(5-7-12)13-8-14(21)17(23)15(22)9-13/h4-9,18,28H,10H2,1-3H3,(H,24,26)(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of human APN expressed in HEK293 cells preincubated for 20 mins followed by L-leucine-7-amido-4-methylcoumarin addition by fluorescence as...				J Med Chem 62: 622-640 (2019) Article DOI: 10.1021/acs.jmedchem.8b01310 BindingDB Entry DOI: 10.7270/Q2PK0KJW
					More data for this Ligand-Target Pair
Proteasome subunit beta type-2 (Homo sapiens (Human))	BDBM50550643 (CHEMBL4749207) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	487	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human 20S constitutive proteasome beta 2 subunit assessed as equilibrium constant using fluorogenic peptide Ac-WLR-AMC as substra...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50063917 ((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin) preincubated for 1 hr followed by (QF)-24 substrate addition measured at 1 min time interval for 1 hr by fluoresc...				J Med Chem 62: 622-640 (2019) Article DOI: 10.1021/acs.jmedchem.8b01310 BindingDB Entry DOI: 10.7270/Q2PK0KJW
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50550643 (CHEMBL4749207) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 subunit chymotrypsin-like activity using fluorogenic peptide Ac-WLA-AMC as substrate in presence of P...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50550643 (CHEMBL4749207) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S constitutive proteasome beta 5 subunit chymotrypsin-like activity using fluorogenic peptide Ac-WLA-AMC as substrate in presen...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50069989 ((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 subunit chymotrypsin-like activity using fluorogenic peptide Ac-WLA-AMC as substrate in presence of P...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50063917 ((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of MMP9 (unknown origin) preincubated for 1 hr followed by (QF)-24 substrate addition measured at 1 min time interval for 1 hr by fluoresc...				J Med Chem 62: 622-640 (2019) Article DOI: 10.1021/acs.jmedchem.8b01310 BindingDB Entry DOI: 10.7270/Q2PK0KJW
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50069989 ((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 1 subunit caspase-like activity using fluorogenic peptide Ac-nLPnLD-AMC as substrate in presence of PA2...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50550643 (CHEMBL4749207) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 1 subunit caspase-like activity using fluorogenic peptide Ac-nLPnLD-AMC as substrate in presence of PA2...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50550642 (CHEMBL4787081) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)B(O)O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 subunit chymotrypsin-like activity using fluorogenic peptide Ac-WLA-AMC as substrate in presence of P...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50069989 ((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S constitutive proteasome beta 5 subunit chymotrypsin-like activity using fluorogenic peptide Ac-WLA-AMC as substrate in presen...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50550640 (CHEMBL4749043) Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)B(O)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 1 subunit caspase-like activity using fluorogenic peptide Ac-nLPnLD-AMC as substrate in presence of PA2...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50550642 (CHEMBL4787081) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)B(O)O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S constitutive proteasome beta 5 subunit chymotrypsin-like activity using fluorogenic peptide Ac-WLA-AMC as substrate in presen...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50550641 (CHEMBL4781914) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)B(O)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 1 subunit caspase-like activity using fluorogenic peptide Ac-nLPnLD-AMC as substrate in presence of PA2...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50550640 (CHEMBL4749043) Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)B(O)O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 subunit chymotrypsin-like activity using fluorogenic peptide Ac-WLA-AMC as substrate in presence of P...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50550642 (CHEMBL4787081) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)B(O)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 1 subunit caspase-like activity using fluorogenic peptide Ac-nLPnLD-AMC as substrate in presence of PA2...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50369342 (CHEMBL4162282) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)Nc1ccc(C)cc1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C26H28N4O4/c1-18-4-12-22(13-5-18)27-24(31)17-30(16-19-6-8-20(9-7-19)25(32)28-34)26(33)21-10-14-23(15-11-21)29(2)3/h4-15,34H,16-17H2,1-3H3,(H,27,31)(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467538 (CHEMBL4280840) Show SMILES ONC(=O)c1ccc(CN(CC(=O)NC2CCCCC2)C(=O)c2cccc3ccccc23)cc1 Show InChI InChI=1S/C27H29N3O4/c31-25(28-22-9-2-1-3-10-22)18-30(17-19-13-15-21(16-14-19)26(32)29-34)27(33)24-12-6-8-20-7-4-5-11-23(20)24/h4-8,11-16,22,34H,1-3,9-10,17-18H2,(H,28,31)(H,29,32)	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	31	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467535 (CHEMBL4283545) Show SMILES Cc1ccc(cc1C)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C25H31N3O4/c1-17-8-11-21(14-18(17)2)25(31)28(16-23(29)26-22-6-4-3-5-7-22)15-19-9-12-20(13-10-19)24(30)27-32/h8-14,22,32H,3-7,15-16H2,1-2H3,(H,26,29)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467536 (CHEMBL4278449) Show SMILES CCCCNC(=O)CN(Cc1ccc(cc1)C(=O)NO)C(=O)c1ccc(cc1)N(C)C Show InChI InChI=1S/C23H30N4O4/c1-4-5-14-24-21(28)16-27(15-17-6-8-18(9-7-17)22(29)25-31)23(30)19-10-12-20(13-11-19)26(2)3/h6-13,31H,4-5,14-16H2,1-3H3,(H,24,28)(H,25,29)	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50467536 (CHEMBL4278449) Show SMILES CCCCNC(=O)CN(Cc1ccc(cc1)C(=O)NO)C(=O)c1ccc(cc1)N(C)C Show InChI InChI=1S/C23H30N4O4/c1-4-5-14-24-21(28)16-27(15-17-6-8-18(9-7-17)22(29)25-31)23(30)19-10-12-20(13-11-19)26(2)3/h6-13,31H,4-5,14-16H2,1-3H3,(H,24,28)(H,25,29)	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	40	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Proteasome subunit beta type-1 (Homo sapiens (Human))	BDBM50550643 (CHEMBL4749207) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S constitutive proteasome beta 1 subunit caspase-like activity using fluorogenic peptide Ac-nLPnLD-AMC as substrate in presence...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467539 (CHEMBL4289151) Show SMILES Cc1ccc(cc1C)C(=O)N(CC(=O)NC(C)(C)C)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C23H29N3O4/c1-15-6-9-19(12-16(15)2)22(29)26(14-20(27)24-23(3,4)5)13-17-7-10-18(11-8-17)21(28)25-30/h6-12,30H,13-14H2,1-5H3,(H,24,27)(H,25,28)	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	57	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50550641 (CHEMBL4781914) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)B(O)O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 subunit chymotrypsin-like activity using fluorogenic peptide Ac-WLA-AMC as substrate in presence of P...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467537 (CHEMBL4292530) Show SMILES CC(C)c1ccc(cc1)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C26H33N3O4/c1-18(2)20-12-14-22(15-13-20)26(32)29(17-24(30)27-23-6-4-3-5-7-23)16-19-8-10-21(11-9-19)25(31)28-33/h8-15,18,23,33H,3-7,16-17H2,1-2H3,(H,27,30)(H,28,31)	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	64	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50238633 (CHEMBL4081080) Show SMILES N\C(CC(O)c1cc2c(F)cc(F)cc2c2cc(ccc12)C(F)(F)F)=N/N=C/c1ccc(F)cc1 Show InChI InChI=1S/C25H17F6N3O/c26-15-4-1-13(2-5-15)12-33-34-24(32)11-23(35)21-10-20-19(8-16(27)9-22(20)28)18-7-14(25(29,30)31)3-6-17(18)21/h1-10,12,23,35H,11H2,(H2,32,34)/b33-12+	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	67	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of human ERG by fluorescence polarization assay				J Med Chem 60: 6036-6044 (2017) Article DOI: 10.1021/acs.jmedchem.7b00140 BindingDB Entry DOI: 10.7270/Q24M96TQ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50369342 (CHEMBL4162282) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)Nc1ccc(C)cc1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C26H28N4O4/c1-18-4-12-22(13-5-18)27-24(31)17-30(16-19-6-8-20(9-7-19)25(32)28-34)26(33)21-10-14-23(15-11-21)29(2)3/h4-15,34H,16-17H2,1-3H3,(H,27,31)(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50467537 (CHEMBL4292530) Show SMILES CC(C)c1ccc(cc1)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C26H33N3O4/c1-18(2)20-12-14-22(15-13-20)26(32)29(17-24(30)27-23-6-4-3-5-7-23)16-19-8-10-21(11-9-19)25(31)28-33/h8-15,18,23,33H,3-7,16-17H2,1-2H3,(H,27,30)(H,28,31)	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	86	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Proteasome subunit beta type-1 (Homo sapiens (Human))	BDBM50069989 ((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S constitutive proteasome beta 1 subunit caspase-like activity using fluorogenic peptide Ac-nLPnLD-AMC as substrate in presence...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50550641 (CHEMBL4781914) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)B(O)O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S constitutive proteasome beta 5 subunit chymotrypsin-like activity using fluorogenic peptide Ac-WLA-AMC as substrate in presen...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50536191 (CHEMBL4584780) Show SMILES C1CN(CCO1)C1CCN(CC1)c1cc(nc(n1)-c1ccncc1)-c1cccnc1 Show InChI InChI=1S/C23H26N6O/c1-2-19(17-25-7-1)21-16-22(27-23(26-21)18-3-8-24-9-4-18)29-10-5-20(6-11-29)28-12-14-30-15-13-28/h1-4,7-9,16-17,20H,5-6,10-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using Diethoxyfluore...				J Med Chem 59: 6101-20 (2016) Article DOI: 10.1021/acs.jmedchem.6b00028 BindingDB Entry DOI: 10.7270/Q2H41VZX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50536194 (CHEMBL4569641) Show SMILES C(C1CCN(CC1)c1cc(nc(n1)-c1ccncc1)-c1cccnc1)N1CCOCC1 Show InChI InChI=1S/C24H28N6O/c1-2-21(17-26-7-1)22-16-23(28-24(27-22)20-3-8-25-9-4-20)30-10-5-19(6-11-30)18-29-12-14-31-15-13-29/h1-4,7-9,16-17,19H,5-6,10-15,18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using Diethoxyfluore...				J Med Chem 59: 6101-20 (2016) Article DOI: 10.1021/acs.jmedchem.6b00028 BindingDB Entry DOI: 10.7270/Q2H41VZX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50536193 (CHEMBL548646 | GNF-Pf-1447 | TCMDC-125419) Show SMILES C1Cc2ccccc2CN1c1cc(nc(n1)-c1ccncc1)-c1cccnc1 Show InChI InChI=1S/C23H19N5/c1-2-5-20-16-28(13-9-17(20)4-1)22-14-21(19-6-3-10-25-15-19)26-23(27-22)18-7-11-24-12-8-18/h1-8,10-12,14-15H,9,13,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using Diethoxyfluore...				J Med Chem 59: 6101-20 (2016) Article DOI: 10.1021/acs.jmedchem.6b00028 BindingDB Entry DOI: 10.7270/Q2H41VZX
					More data for this Ligand-Target Pair
Proteasome subunit beta type-10 (Homo sapiens (Human))	BDBM50550642 (CHEMBL4787081) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)B(O)O |r| Show InChI	PDB 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
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 2 subunit trypsin-like activity using fluorogenic peptide Ac-WLR-AMC as substrate in presence of PA28al...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM79214 (1-[1,3-bis(chloranyl)-6-(trifluoromethyl)phenanthr...) Show SMILES CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(ccc12)C(F)(F)F Show InChI InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 60: 6036-6044 (2017) Article DOI: 10.1021/acs.jmedchem.7b00140 BindingDB Entry DOI: 10.7270/Q24M96TQ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50518450 (CHEMBL4591371) Show SMILES CC(C)C[C@H](C(O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1 |r| Show InChI InChI=1S/C21H30N2O6/c1-13(2)12-16(18(24)20(26)23-28)19(25)22-17(14-8-4-3-5-9-14)21(27)29-15-10-6-7-11-15/h3-5,8-9,13,15-18,24,28H,6-7,10-12H2,1-2H3,(H,22,25)(H,23,26)/t16-,17+,18?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin) preincubated for 1 hr followed by (QF)-24 substrate addition measured at 1 min time interval for 1 hr by fluoresc...				J Med Chem 62: 622-640 (2019) Article DOI: 10.1021/acs.jmedchem.8b01310 BindingDB Entry DOI: 10.7270/Q2PK0KJW
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50550640 (CHEMBL4749043) Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)B(O)O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S constitutive proteasome beta 5 subunit chymotrypsin-like activity using fluorogenic peptide Ac-WLA-AMC as substrate in presen...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-10 (Homo sapiens (Human))	BDBM50550643 (CHEMBL4749207) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 2 subunit trypsin-like activity using fluorogenic peptide Ac-WLR-AMC as substrate in presence of PA28al...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50467535 (CHEMBL4283545) Show SMILES Cc1ccc(cc1C)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C25H31N3O4/c1-17-8-11-21(14-18(17)2)25(31)28(16-23(29)26-22-6-4-3-5-7-22)15-19-9-12-20(13-10-19)24(30)27-32/h8-14,22,32H,3-7,15-16H2,1-2H3,(H,26,29)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	304	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Proteasome subunit beta type-1 (Homo sapiens (Human))	BDBM50550641 (CHEMBL4781914) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)B(O)O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S constitutive proteasome beta 1 subunit caspase-like activity using fluorogenic peptide Ac-nLPnLD-AMC as substrate in presence...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50238630 (CHEBI:156095 | Lumefantrine) Show SMILES CCCCN(CCCC)CC(O)c1cc(Cl)cc2\C(=C/c3ccc(Cl)cc3)c3cc(Cl)ccc3-c12 Show InChI InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	377	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of noradrenaline uptake in rat synaptosomal fraction				J Med Chem 60: 6036-6044 (2017) Article DOI: 10.1021/acs.jmedchem.7b00140 BindingDB Entry DOI: 10.7270/Q24M96TQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50238629 (CHEMBL4105332) Show SMILES CCN(CC)Cc1cc(\C=N\N=C(/N)CC(O)c2cc3c(F)cc(F)cc3c3cc(ccc23)C(F)(F)F)ccc1O Show InChI InChI=1S/C30H29F5N4O2/c1-3-39(4-2)16-18-9-17(5-8-27(18)40)15-37-38-29(36)14-28(41)25-13-24-23(11-20(31)12-26(24)32)22-10-19(30(33,34)35)6-7-21(22)25/h5-13,15,28,40-41H,3-4,14,16H2,1-2H3,(H2,36,38)/b37-15+	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	390	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of human ERG by fluorescence polarization assay				J Med Chem 60: 6036-6044 (2017) Article DOI: 10.1021/acs.jmedchem.7b00140 BindingDB Entry DOI: 10.7270/Q24M96TQ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50467539 (CHEMBL4289151) Show SMILES Cc1ccc(cc1C)C(=O)N(CC(=O)NC(C)(C)C)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C23H29N3O4/c1-15-6-9-19(12-16(15)2)22(29)26(14-20(27)24-23(3,4)5)13-17-7-10-18(11-8-17)21(28)25-30/h6-12,30H,13-14H2,1-5H3,(H,24,27)(H,25,28)	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	428	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Proteasome subunit beta type-2 (Homo sapiens (Human))	BDBM50550642 (CHEMBL4787081) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)B(O)O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S constitutive proteasome beta 2 subunit trypsin-like activity using fluorogenic peptide Ac-WLR-AMC as substrate in presence of...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-10 (Homo sapiens (Human))	BDBM50069989 ((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 2 subunit trypsin-like activity using fluorogenic peptide Ac-WLR-AMC as substrate in presence of PA28al...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50467538 (CHEMBL4280840) Show SMILES ONC(=O)c1ccc(CN(CC(=O)NC2CCCCC2)C(=O)c2cccc3ccccc23)cc1 Show InChI InChI=1S/C27H29N3O4/c31-25(28-22-9-2-1-3-10-22)18-30(17-19-13-15-21(16-14-19)26(32)29-34)27(33)24-12-6-8-20-7-4-5-11-23(20)24/h4-8,11-16,22,34H,1-3,9-10,17-18H2,(H,28,31)(H,29,32)	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	552	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Proteasome subunit beta type-2 (Homo sapiens (Human))	BDBM50550643 (CHEMBL4749207) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S constitutive proteasome beta 2 subunit trypsin-like activity using fluorogenic peptide Ac-WLR-AMC as substrate in presence of...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair

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