Found 83 hits with Last Name = 'porco' and Initial = 'ja' 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 |
|---|
Eukaryotic initiation factor 4A-I
(Homo sapiens (Human)) | BDBM50388144
(CHEMBL2058177)Show SMILES CONC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(O[C@]2([C@@H]1c1ccccc1)c1ccc(OC)cc1)cc(OC)cc3OC |r| Show InChI InChI=1S/C28H29NO8/c1-33-18-12-10-17(11-13-18)28-23(16-8-6-5-7-9-16)22(26(31)29-36-4)25(30)27(28,32)24-20(35-3)14-19(34-2)15-21(24)37-28/h5-15,22-23,25,30,32H,1-4H3,(H,29,31)/t22-,23-,25-,27+,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of eIF4A1-mediated protein synthesis in human BJAB cells assessed as inhibition of [35S]Met incorporation after 72 hr by scintillation cou... |
J Med Chem 55: 558-62 (2012)
Article DOI: 10.1021/jm201263k
BindingDB Entry DOI: 10.7270/Q2MS3TTZ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50534338
(CHEMBL4534486)Show SMILES ONC(=O)[C@H](Cc1ccccc1)n1nnc(c1C#CC1CC1)-c1ccccc1 |r| Show InChI InChI=1S/C22H20N4O2/c27-22(24-28)20(15-17-7-3-1-4-8-17)26-19(14-13-16-11-12-16)21(23-25-26)18-9-5-2-6-10-18/h1-10,16,20,28H,11-12,15H2,(H,24,27)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50534343
(CHEMBL4529036)Show SMILES COc1cc(OC)cc(c1)-c1nnn([C@@H](Cc2ccccc2)C(=O)NO)c1C#CC1CC1 |r| Show InChI InChI=1S/C24H24N4O4/c1-31-19-13-18(14-20(15-19)32-2)23-21(11-10-16-8-9-16)28(27-25-23)22(24(29)26-30)12-17-6-4-3-5-7-17/h3-7,13-16,22,30H,8-9,12H2,1-2H3,(H,26,29)/t22-/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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50534347
(CHEMBL4476253)Show SMILES ONC(=O)[C@H](Cc1ccccc1)n1nnc(-c2ccsc2)c1C#CC1CC1 |r| Show InChI InChI=1S/C20H18N4O2S/c25-20(22-26)18(12-15-4-2-1-3-5-15)24-17(9-8-14-6-7-14)19(21-23-24)16-10-11-27-13-16/h1-5,10-11,13-14,18,26H,6-7,12H2,(H,22,25)/t18-/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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50534337
(CHEMBL4566086)Show SMILES ONC(=O)[C@H](Cc1c[nH]c2ccccc12)n1nnc(c1C#CC1CC1)-c1ccccc1 |r| Show InChI InChI=1S/C24H21N5O2/c30-24(27-31)22(14-18-15-25-20-9-5-4-8-19(18)20)29-21(13-12-16-10-11-16)23(26-28-29)17-6-2-1-3-7-17/h1-9,15-16,22,25,31H,10-11,14H2,(H,27,30)/t22-/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50534342
(CHEMBL4441146)Show SMILES ONC(=O)[C@H](Cc1ccccc1)n1nnc(c1C#CC1CC1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C22H19ClN4O2/c23-18-8-4-7-17(14-18)21-19(12-11-15-9-10-15)27(26-24-21)20(22(28)25-29)13-16-5-2-1-3-6-16/h1-8,14-15,20,29H,9-10,13H2,(H,25,28)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50534339
(CHEMBL4593948)Show SMILES ONC(=O)[C@H](Cc1ccccc1)n1nnc(c1C#Cc1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H20N4O2/c30-25(27-31)23(18-20-12-6-2-7-13-20)29-22(17-16-19-10-4-1-5-11-19)24(26-28-29)21-14-8-3-9-15-21/h1-15,23,31H,18H2,(H,27,30)/t23-/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50397360
(CHEMBL2170177 | US10188756, Compound CN110)Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate preincubated for 15 mins followed by sub... |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
Eukaryotic initiation factor 4A-I
(Homo sapiens (Human)) | BDBM50388144
(CHEMBL2058177)Show SMILES CONC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(O[C@]2([C@@H]1c1ccccc1)c1ccc(OC)cc1)cc(OC)cc3OC |r| Show InChI InChI=1S/C28H29NO8/c1-33-18-12-10-17(11-13-18)28-23(16-8-6-5-7-9-16)22(26(31)29-36-4)25(30)27(28,32)24-20(35-3)14-19(34-2)15-21(24)37-28/h5-15,22-23,25,30,32H,1-4H3,(H,29,31)/t22-,23-,25-,27+,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of eIF4A1-mediated protein synthesis in human BJAB cells assessed as inhibition of [35S]Met incorporation after 1 hr by scintillation coun... |
J Med Chem 55: 558-62 (2012)
Article DOI: 10.1021/jm201263k
BindingDB Entry DOI: 10.7270/Q2MS3TTZ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50534341
(CHEMBL4526387)Show SMILES CC(C)(C)c1ccc(cc1)-c1nnn([C@@H](Cc2ccccc2)C(=O)NO)c1C#CC1CC1 |r| Show InChI InChI=1S/C26H28N4O2/c1-26(2,3)21-14-12-20(13-15-21)24-22(16-11-18-9-10-18)30(29-27-24)23(25(31)28-32)17-19-7-5-4-6-8-19/h4-8,12-15,18,23,32H,9-10,17H2,1-3H3,(H,28,31)/t23-/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 | 133 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50534346
(CHEMBL4530273)Show SMILES CCCCCc1c(nnn1[C@@H](Cc1ccccc1)C(=O)NO)-c1ccccc1 |r| Show InChI InChI=1S/C22H26N4O2/c1-2-3-6-15-19-21(18-13-9-5-10-14-18)23-25-26(19)20(22(27)24-28)16-17-11-7-4-8-12-17/h4-5,7-14,20,28H,2-3,6,15-16H2,1H3,(H,24,27)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50534340
(CHEMBL4591041)Show SMILES CCC\C=C\c1c(nnn1[C@@H](Cc1ccccc1)C(=O)NO)-c1ccccc1 |r| Show InChI InChI=1S/C22H24N4O2/c1-2-3-6-15-19-21(18-13-9-5-10-14-18)23-25-26(19)20(22(27)24-28)16-17-11-7-4-8-12-17/h4-15,20,28H,2-3,16H2,1H3,(H,24,27)/b15-6+/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 464 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530042
(CHEMBL4517868)Show SMILES C[C@H]1\C=C\CC(=O)OCCC(c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2| Show InChI InChI=1S/C39H40N4O6S/c1-26-17-19-30(20-18-26)50(47,48)43-22-9-15-35(43)37-27(2)10-8-16-36(44)49-23-21-32(28-11-4-3-5-12-28)38(45)41-34(39(46)42-37)24-29-25-40-33-14-7-6-13-31(29)33/h3-15,17-20,22,25,27,32,34,37,40H,16,21,23-24H2,1-2H3,(H,41,45)(H,42,46)/b10-8+/t27-,32?,34-,37+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50534338
(CHEMBL4534486)Show SMILES ONC(=O)[C@H](Cc1ccccc1)n1nnc(c1C#CC1CC1)-c1ccccc1 |r| Show InChI InChI=1S/C22H20N4O2/c27-22(24-28)20(15-17-7-3-1-4-8-17)26-19(14-13-16-11-12-16)21(23-25-26)18-9-5-2-6-10-18/h1-10,16,20,28H,11-12,15H2,(H,24,27)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human HDAC6 expressed in sf9 cells using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530042
(CHEMBL4517868)Show SMILES C[C@H]1\C=C\CC(=O)OCCC(c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2| Show InChI InChI=1S/C39H40N4O6S/c1-26-17-19-30(20-18-26)50(47,48)43-22-9-15-35(43)37-27(2)10-8-16-36(44)49-23-21-32(28-11-4-3-5-12-28)38(45)41-34(39(46)42-37)24-29-25-40-33-14-7-6-13-31(29)33/h3-15,17-20,22,25,27,32,34,37,40H,16,21,23-24H2,1-2H3,(H,41,45)(H,42,46)/b10-8+/t27-,32?,34-,37+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530037
(CHEMBL4473257)Show SMILES C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(F)(F)F |r,t:2| Show InChI InChI=1S/C39H38F3N5O5S/c1-24-12-18-29(19-13-24)53(51,52)47-20-6-10-34(47)37-25(2)7-5-11-35(48)44-32(26-14-16-28(17-15-26)39(40,41)42)22-36(49)45-33(38(50)46-37)21-27-23-43-31-9-4-3-8-30(27)31/h3-10,12-20,23,25,32-33,37,43H,11,21-22H2,1-2H3,(H,44,48)(H,45,49)(H,46,50)/b7-5+/t25-,32-,33-,37+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530037
(CHEMBL4473257)Show SMILES C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(F)(F)F |r,t:2| Show InChI InChI=1S/C39H38F3N5O5S/c1-24-12-18-29(19-13-24)53(51,52)47-20-6-10-34(47)37-25(2)7-5-11-35(48)44-32(26-14-16-28(17-15-26)39(40,41)42)22-36(49)45-33(38(50)46-37)21-27-23-43-31-9-4-3-8-30(27)31/h3-10,12-20,23,25,32-33,37,43H,11,21-22H2,1-2H3,(H,44,48)(H,45,49)(H,46,50)/b7-5+/t25-,32-,33-,37+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50534345
(CHEMBL4550619)Show SMILES CCc1ccc(cc1)C#Cc1c(nnn1[C@@H](Cc1ccccc1)C(=O)NO)-c1ccccc1 |r| Show InChI InChI=1S/C27H24N4O2/c1-2-20-13-15-21(16-14-20)17-18-24-26(23-11-7-4-8-12-23)28-30-31(24)25(27(32)29-33)19-22-9-5-3-6-10-22/h3-16,25,33H,2,19H2,1H3,(H,29,32)/t25-/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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530043
(CHEMBL4458126)Show SMILES C[C@H]1\C=C\CC(=O)OCCC(Oc2ccc3OCOc3c2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccccc1 |r,t:2| Show InChI InChI=1S/C35H35N3O7/c1-22-8-7-13-32(39)42-17-16-30(45-25-14-15-29-31(19-25)44-21-43-29)35(41)37-28(18-24-20-36-27-12-6-5-11-26(24)27)34(40)38-33(22)23-9-3-2-4-10-23/h2-12,14-15,19-20,22,28,30,33,36H,13,16-18,21H2,1H3,(H,37,41)(H,38,40)/b8-7+/t22-,28-,30?,33+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530043
(CHEMBL4458126)Show SMILES C[C@H]1\C=C\CC(=O)OCCC(Oc2ccc3OCOc3c2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccccc1 |r,t:2| Show InChI InChI=1S/C35H35N3O7/c1-22-8-7-13-32(39)42-17-16-30(45-25-14-15-29-31(19-25)44-21-43-29)35(41)37-28(18-24-20-36-27-12-6-5-11-26(24)27)34(40)38-33(22)23-9-3-2-4-10-23/h2-12,14-15,19-20,22,28,30,33,36H,13,16-18,21H2,1H3,(H,37,41)(H,38,40)/b8-7+/t22-,28-,30?,33+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530040
(CHEMBL4581229)Show SMILES C[C@H]1\C=C\CC(=O)N[C@H](Cc2ccc(Cl)cc2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2| Show InChI InChI=1S/C39H40ClN5O5S/c1-25-12-18-31(19-13-25)51(49,50)45-20-6-10-35(45)38-26(2)7-5-11-36(46)42-30(21-27-14-16-29(40)17-15-27)23-37(47)43-34(39(48)44-38)22-28-24-41-33-9-4-3-8-32(28)33/h3-10,12-20,24,26,30,34,38,41H,11,21-23H2,1-2H3,(H,42,46)(H,43,47)(H,44,48)/b7-5+/t26-,30+,34-,38+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530040
(CHEMBL4581229)Show SMILES C[C@H]1\C=C\CC(=O)N[C@H](Cc2ccc(Cl)cc2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2| Show InChI InChI=1S/C39H40ClN5O5S/c1-25-12-18-31(19-13-25)51(49,50)45-20-6-10-35(45)38-26(2)7-5-11-36(46)42-30(21-27-14-16-29(40)17-15-27)23-37(47)43-34(39(48)44-38)22-28-24-41-33-9-4-3-8-32(28)33/h3-10,12-20,24,26,30,34,38,41H,11,21-23H2,1-2H3,(H,42,46)(H,43,47)(H,44,48)/b7-5+/t26-,30+,34-,38+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)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
MMDB
PDB
Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50534344
(CHEMBL4450063)Show SMILES CC(C)[C@@H](C(=O)NO)n1nnc(c1C#Cc1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O2/c1-15(2)20(21(26)23-27)25-18(14-13-16-9-5-3-6-10-16)19(22-24-25)17-11-7-4-8-12-17/h3-12,15,20,27H,1-2H3,(H,23,26)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530038
(CHEMBL4465479)Show SMILES C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 |r,t:2| Show InChI InChI=1S/C39H41N5O5S/c1-25-13-17-28(18-14-25)33-23-37(46)42-34(22-29-24-40-32-10-5-4-9-31(29)32)39(47)43-38(27(3)8-6-12-36(45)41-33)35-11-7-21-44(35)50(48,49)30-19-15-26(2)16-20-30/h4-11,13-21,24,27,33-34,38,40H,12,22-23H2,1-3H3,(H,41,45)(H,42,46)(H,43,47)/b8-6+/t27-,33-,34-,38+/m0/s1 | PDB
MMDB
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 |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530038
(CHEMBL4465479)Show SMILES C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 |r,t:2| Show InChI InChI=1S/C39H41N5O5S/c1-25-13-17-28(18-14-25)33-23-37(46)42-34(22-29-24-40-32-10-5-4-9-31(29)32)39(47)43-38(27(3)8-6-12-36(45)41-33)35-11-7-21-44(35)50(48,49)30-19-15-26(2)16-20-30/h4-11,13-21,24,27,33-34,38,40H,12,22-23H2,1-3H3,(H,41,45)(H,42,46)(H,43,47)/b8-6+/t27-,33-,34-,38+/m0/s1 | PDB
MMDB
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 |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530029
(CHEMBL4567730)Show SMILES C[C@H]1\C=C\CC(=O)OCCC(Oc2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2| Show InChI InChI=1S/C40H39F3N4O7S/c1-25-12-18-30(19-13-25)55(51,52)47-21-6-10-34(47)37-26(2)7-5-11-36(48)53-22-20-35(54-29-16-14-28(15-17-29)40(41,42)43)39(50)45-33(38(49)46-37)23-27-24-44-32-9-4-3-8-31(27)32/h3-10,12-19,21,24,26,33,35,37,44H,11,20,22-23H2,1-2H3,(H,45,50)(H,46,49)/b7-5+/t26-,33-,35?,37+/m0/s1 | PDB
MMDB
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 |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530029
(CHEMBL4567730)Show SMILES C[C@H]1\C=C\CC(=O)OCCC(Oc2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2| Show InChI InChI=1S/C40H39F3N4O7S/c1-25-12-18-30(19-13-25)55(51,52)47-21-6-10-34(47)37-26(2)7-5-11-36(48)53-22-20-35(54-29-16-14-28(15-17-29)40(41,42)43)39(50)45-33(38(49)46-37)23-27-24-44-32-9-4-3-8-31(27)32/h3-10,12-19,21,24,26,33,35,37,44H,11,20,22-23H2,1-2H3,(H,45,50)(H,46,49)/b7-5+/t26-,33-,35?,37+/m0/s1 | PDB
MMDB
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 |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530036
(CHEMBL4465198)Show SMILES C[C@H]1\C=C\CC(=O)N[C@@H](CCc2ccccc2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2| Show InChI InChI=1S/C40H43N5O5S/c1-27-17-21-32(22-18-27)51(49,50)45-23-9-15-36(45)39-28(2)10-8-16-37(46)42-31(20-19-29-11-4-3-5-12-29)25-38(47)43-35(40(48)44-39)24-30-26-41-34-14-7-6-13-33(30)34/h3-15,17-18,21-23,26,28,31,35,39,41H,16,19-20,24-25H2,1-2H3,(H,42,46)(H,43,47)(H,44,48)/b10-8+/t28-,31-,35-,39+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530036
(CHEMBL4465198)Show SMILES C[C@H]1\C=C\CC(=O)N[C@@H](CCc2ccccc2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2| Show InChI InChI=1S/C40H43N5O5S/c1-27-17-21-32(22-18-27)51(49,50)45-23-9-15-36(45)39-28(2)10-8-16-37(46)42-31(20-19-29-11-4-3-5-12-29)25-38(47)43-35(40(48)44-39)24-30-26-41-34-14-7-6-13-33(30)34/h3-15,17-18,21-23,26,28,31,35,39,41H,16,19-20,24-25H2,1-2H3,(H,42,46)(H,43,47)(H,44,48)/b10-8+/t28-,31-,35-,39+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530048
(CHEMBL4460339)Show SMILES C[C@H]1\C=C\CC(=O)N[C@H](CCc2ccccc2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2| Show InChI InChI=1S/C40H43N5O5S/c1-27-17-21-32(22-18-27)51(49,50)45-23-9-15-36(45)39-28(2)10-8-16-37(46)42-31(20-19-29-11-4-3-5-12-29)25-38(47)43-35(40(48)44-39)24-30-26-41-34-14-7-6-13-33(30)34/h3-15,17-18,21-23,26,28,31,35,39,41H,16,19-20,24-25H2,1-2H3,(H,42,46)(H,43,47)(H,44,48)/b10-8+/t28-,31+,35-,39+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530048
(CHEMBL4460339)Show SMILES C[C@H]1\C=C\CC(=O)N[C@H](CCc2ccccc2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2| Show InChI InChI=1S/C40H43N5O5S/c1-27-17-21-32(22-18-27)51(49,50)45-23-9-15-36(45)39-28(2)10-8-16-37(46)42-31(20-19-29-11-4-3-5-12-29)25-38(47)43-35(40(48)44-39)24-30-26-41-34-14-7-6-13-33(30)34/h3-15,17-18,21-23,26,28,31,35,39,41H,16,19-20,24-25H2,1-2H3,(H,42,46)(H,43,47)(H,44,48)/b10-8+/t28-,31+,35-,39+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50397360
(CHEMBL2170177 | US10188756, Compound CN110)Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate preincubated for 15 mins followed by sub... |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50534339
(CHEMBL4593948)Show SMILES ONC(=O)[C@H](Cc1ccccc1)n1nnc(c1C#Cc1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H20N4O2/c30-25(27-31)23(18-20-12-6-2-7-13-20)29-22(17-16-19-10-4-1-5-11-19)24(26-28-29)21-14-8-3-9-15-21/h1-15,23,31H,18H2,(H,27,30)/t23-/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 | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human HDAC6 expressed in sf9 cells using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50397360
(CHEMBL2170177 | US10188756, Compound CN110)Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate preincubated for 15 mins followed by sub... |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50534338
(CHEMBL4534486)Show SMILES ONC(=O)[C@H](Cc1ccccc1)n1nnc(c1C#CC1CC1)-c1ccccc1 |r| Show InChI InChI=1S/C22H20N4O2/c27-22(24-28)20(15-17-7-3-1-4-8-17)26-19(14-13-16-11-12-16)21(23-25-26)18-9-5-2-6-10-18/h1-10,16,20,28H,11-12,15H2,(H,24,27)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using fluorophore-conjugated ... |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530041
(CHEMBL4566116)Show SMILES C[C@H]1\C=C\CC(=O)OCCC(Oc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2| Show InChI InChI=1S/C39H40N4O7S/c1-26-17-19-30(20-18-26)51(47,48)43-22-9-15-34(43)37-27(2)10-8-16-36(44)49-23-21-35(50-29-11-4-3-5-12-29)39(46)41-33(38(45)42-37)24-28-25-40-32-14-7-6-13-31(28)32/h3-15,17-20,22,25,27,33,35,37,40H,16,21,23-24H2,1-2H3,(H,41,46)(H,42,45)/b10-8+/t27-,33-,35?,37+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530041
(CHEMBL4566116)Show SMILES C[C@H]1\C=C\CC(=O)OCCC(Oc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2| Show InChI InChI=1S/C39H40N4O7S/c1-26-17-19-30(20-18-26)51(47,48)43-22-9-15-34(43)37-27(2)10-8-16-36(44)49-23-21-35(50-29-11-4-3-5-12-29)39(46)41-33(38(45)42-37)24-28-25-40-32-14-7-6-13-31(28)32/h3-15,17-20,22,25,27,33,35,37,40H,16,21,23-24H2,1-2H3,(H,41,46)(H,42,45)/b10-8+/t27-,33-,35?,37+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530049
(CHEMBL4455293)Show SMILES C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 |r,t:2| Show InChI InChI=1S/C38H38FN5O5S/c1-24-12-18-29(19-13-24)50(48,49)44-20-6-10-34(44)37-25(2)7-5-11-35(45)41-32(26-14-16-28(39)17-15-26)22-36(46)42-33(38(47)43-37)21-27-23-40-31-9-4-3-8-30(27)31/h3-10,12-20,23,25,32-33,37,40H,11,21-22H2,1-2H3,(H,41,45)(H,42,46)(H,43,47)/b7-5+/t25-,32-,33-,37+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530049
(CHEMBL4455293)Show SMILES C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 |r,t:2| Show InChI InChI=1S/C38H38FN5O5S/c1-24-12-18-29(19-13-24)50(48,49)44-20-6-10-34(44)37-25(2)7-5-11-35(45)41-32(26-14-16-28(39)17-15-26)22-36(46)42-33(38(47)43-37)21-27-23-40-31-9-4-3-8-30(27)31/h3-10,12-20,23,25,32-33,37,40H,11,21-22H2,1-2H3,(H,41,45)(H,42,46)(H,43,47)/b7-5+/t25-,32-,33-,37+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50534348
(CHEMBL4471751)Show SMILES ONC(=O)[C@H](Cc1ccccc1)n1nnc(c1C#Cc1ccc(cc1)-c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C31H24N4O2/c36-31(33-37)29(22-24-10-4-1-5-11-24)35-28(30(32-34-35)27-14-8-3-9-15-27)21-18-23-16-19-26(20-17-23)25-12-6-2-7-13-25/h1-17,19-20,29,37H,22H2,(H,33,36)/t29-/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 | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530046
(CHEMBL4549101)Show SMILES C[C@H]1\C=C\CC(=O)OCCCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2| Show InChI InChI=1S/C34H38N4O6S/c1-23-15-17-26(18-16-23)45(42,43)38-19-8-12-30(38)33-24(2)9-7-14-32(40)44-20-6-5-13-31(39)36-29(34(41)37-33)21-25-22-35-28-11-4-3-10-27(25)28/h3-4,7-12,15-19,22,24,29,33,35H,5-6,13-14,20-21H2,1-2H3,(H,36,39)(H,37,41)/b9-7+/t24-,29-,33+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530046
(CHEMBL4549101)Show SMILES C[C@H]1\C=C\CC(=O)OCCCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2| Show InChI InChI=1S/C34H38N4O6S/c1-23-15-17-26(18-16-23)45(42,43)38-19-8-12-30(38)33-24(2)9-7-14-32(40)44-20-6-5-13-31(39)36-29(34(41)37-33)21-25-22-35-28-11-4-3-10-27(25)28/h3-4,7-12,15-19,22,24,29,33,35H,5-6,13-14,20-21H2,1-2H3,(H,36,39)(H,37,41)/b9-7+/t24-,29-,33+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530047
(CHEMBL4552083)Show SMILES C[C@H]1\C=C\CC(=O)OCCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2| Show InChI InChI=1S/C33H36N4O6S/c1-22-14-16-25(17-15-22)44(41,42)37-18-6-11-29(37)32-23(2)8-5-13-31(39)43-19-7-12-30(38)35-28(33(40)36-32)20-24-21-34-27-10-4-3-9-26(24)27/h3-6,8-11,14-18,21,23,28,32,34H,7,12-13,19-20H2,1-2H3,(H,35,38)(H,36,40)/b8-5+/t23-,28-,32+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530047
(CHEMBL4552083)Show SMILES C[C@H]1\C=C\CC(=O)OCCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2| Show InChI InChI=1S/C33H36N4O6S/c1-22-14-16-25(17-15-22)44(41,42)37-18-6-11-29(37)32-23(2)8-5-13-31(39)43-19-7-12-30(38)35-28(33(40)36-32)20-24-21-34-27-10-4-3-9-26(24)27/h3-6,8-11,14-18,21,23,28,32,34H,7,12-13,19-20H2,1-2H3,(H,35,38)(H,36,40)/b8-5+/t23-,28-,32+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530039
(CHEMBL4539845)Show SMILES C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 |r,t:2| Show InChI InChI=1S/C38H38ClN5O5S/c1-24-12-18-29(19-13-24)50(48,49)44-20-6-10-34(44)37-25(2)7-5-11-35(45)41-32(26-14-16-28(39)17-15-26)22-36(46)42-33(38(47)43-37)21-27-23-40-31-9-4-3-8-30(27)31/h3-10,12-20,23,25,32-33,37,40H,11,21-22H2,1-2H3,(H,41,45)(H,42,46)(H,43,47)/b7-5+/t25-,32-,33-,37+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50530039
(CHEMBL4539845)Show SMILES C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 |r,t:2| Show InChI InChI=1S/C38H38ClN5O5S/c1-24-12-18-29(19-13-24)50(48,49)44-20-6-10-34(44)37-25(2)7-5-11-35(45)41-32(26-14-16-28(39)17-15-26)22-36(46)42-33(38(47)43-37)21-27-23-40-31-9-4-3-8-30(27)31/h3-10,12-20,23,25,32-33,37,40H,11,21-22H2,1-2H3,(H,41,45)(H,42,46)(H,43,47)/b7-5+/t25-,32-,33-,37+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw... |
J Med Chem 62: 1971-1988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T |
More data for this
Ligand-Target Pair | |
Histone deacetylase 7
(Homo sapiens (Human)) | BDBM50534339
(CHEMBL4593948)Show SMILES ONC(=O)[C@H](Cc1ccccc1)n1nnc(c1C#Cc1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H20N4O2/c30-25(27-31)23(18-20-12-6-2-7-13-20)29-22(17-16-19-10-4-1-5-11-19)24(26-28-29)21-14-8-3-9-15-21/h1-15,23,31H,18H2,(H,27,30)/t23-/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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC7 (unknown origin) |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50534339
(CHEMBL4593948)Show SMILES ONC(=O)[C@H](Cc1ccccc1)n1nnc(c1C#Cc1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H20N4O2/c30-25(27-31)23(18-20-12-6-2-7-13-20)29-22(17-16-19-10-4-1-5-11-19)24(26-28-29)21-14-8-3-9-15-21/h1-15,23,31H,18H2,(H,27,30)/t23-/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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using fluorophore-conjugated ... |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50534338
(CHEMBL4534486)Show SMILES ONC(=O)[C@H](Cc1ccccc1)n1nnc(c1C#CC1CC1)-c1ccccc1 |r| Show InChI InChI=1S/C22H20N4O2/c27-22(24-28)20(15-17-7-3-1-4-8-17)26-19(14-13-16-11-12-16)21(23-25-26)18-9-5-2-6-10-18/h1-10,16,20,28H,11-12,15H2,(H,24,27)/t20-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human C-terminal His-tagged HDAC3 expressed in sf9 cells co-expressing human N-terminal GST-tagged NCOR2 (395 t... |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239
BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this
Ligand-Target Pair | |
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