Found 22 hits of Enzyme Inhibition Constant Data 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 |
|---|
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50252391
(CHEMBL4080014)Show InChI InChI=1S/C16H14FN3O2/c1-10-18-14-4-2-3-5-15(14)20(10)9-12-7-6-11(8-13(12)17)16(21)19-22/h2-8,22H,9H2,1H3,(H,19,21) | 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 |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50366958
(CHEMBL1790587)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C29H43N5O7/c1-4-18(2)25-29(39)34-16-8-10-23(34)28(38)30-21(9-6-5-7-11-24(35)33-40)26(36)31-22(27(37)32-25)17-19-12-14-20(41-3)15-13-19/h12-15,18,21-23,25,40H,4-11,16-17H2,1-3H3,(H,30,38)(H,31,36)(H,32,37)(H,33,35)/t18-,21+,22-,23-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50105327
(JNJ-26481585 | Quisinostat)Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50105327
(JNJ-26481585 | Quisinostat)Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
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 |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate after 30 mins by fluorescence assay |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50304782
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50538728
(CHEMBL4636994)Show InChI InChI=1S/C16H14N4O2S/c21-16(20-22)12-6-4-5-11(9-12)15-17-14(18-19-15)10-23-13-7-2-1-3-8-13/h1-9,22H,10H2,(H,20,21)(H,17,18,19) | 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 | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50538730
(CHEMBL4635503)Show InChI InChI=1S/C15H18ClF3N2O3/c16-11-8-7-10(15(17,18)19)9-12(11)20-13(22)5-3-1-2-4-6-14(23)21-24/h7-9,24H,1-6H2,(H,20,22)(H,21,23) | 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 | 119 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50538726
(CHEMBL4635825)Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(=O)NO)C(=O)N[C@@H](Cc2cc3ccccc3[nH]2)C(=O)N1 |r| Show InChI InChI=1S/C29H42N6O6/c1-17(2)13-20-16-26(37)30-18(3)27(38)33-23(11-5-4-6-12-25(36)35-41)28(39)34-24(29(40)32-20)15-21-14-19-9-7-8-10-22(19)31-21/h7-10,14,17-18,20,23-24,31,41H,4-6,11-13,15-16H2,1-3H3,(H,30,37)(H,32,40)(H,33,38)(H,34,39)(H,35,36)/t18-,20-,23-,24-/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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50105330
(CHEMBL1851943)Show InChI InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50538725
(CHEMBL4634445)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](CCCCSCC(=O)C(F)(F)F)NC(=O)[C@@H]2CCCN2C1=O |r| Show InChI InChI=1S/C30H41F3N4O6S/c1-4-18(2)25-29(42)37-14-7-9-23(37)28(41)34-21(8-5-6-15-44-17-24(38)30(31,32)33)26(39)35-22(27(40)36-25)16-19-10-12-20(43-3)13-11-19/h10-13,18,21-23,25H,4-9,14-17H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)/t18-,21+,22-,23-,25+/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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50538734
(CHEMBL2371801)Show SMILES [H][C@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCCCC(=O)C(F)(F)F)NC2=O)[C@@H](C)CC Show InChI InChI=1S/C30H41F3N4O6/c1-4-18(2)25-29(42)37-16-8-10-23(37)28(41)34-21(9-6-5-7-11-24(38)30(31,32)33)26(39)35-22(27(40)36-25)17-19-12-14-20(43-3)15-13-19/h12-15,18,21-23,25H,4-11,16-17H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)/t18-,21-,22+,23+,25-/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 | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
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 | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50252388
(CHEMBL4079541)Show InChI InChI=1S/C18H20N2O4/c21-11-10-20(17(22)12-14-4-2-1-3-5-14)13-15-6-8-16(9-7-15)18(23)19-24/h1-9,21,24H,10-13H2,(H,19,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 376 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50538733
(CHEMBL4649745)Show SMILES CC(C)[C@H](NC(=O)C1Cc2ccccc2O1)C#Cc1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C22H22N2O4/c1-14(2)18(12-9-15-7-10-16(11-8-15)21(25)24-27)23-22(26)20-13-17-5-3-4-6-19(17)28-20/h3-8,10-11,14,18,20,27H,13H2,1-2H3,(H,23,26)(H,24,25)/t18-,20?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 417 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50538735
(CHEMBL2371802)Show SMILES [H][C@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCCCC(=O)C(F)(F)C(F)(F)F)NC2=O)[C@@H](C)CC Show InChI InChI=1S/C31H41F5N4O6/c1-4-18(2)25-29(45)40-16-8-10-23(40)28(44)37-21(9-6-5-7-11-24(41)30(32,33)31(34,35)36)26(42)38-22(27(43)39-25)17-19-12-14-20(46-3)15-13-19/h12-15,18,21-23,25H,4-11,16-17H2,1-3H3,(H,37,44)(H,38,42)(H,39,43)/t18-,21-,22+,23+,25-/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 | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50538727
(CHEMBL4634798)Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)NC(C(=O)Nc2cccc(c2)C(F)(F)F)c2ccccc2)cc1 Show InChI InChI=1S/C29H30F3N5O5/c30-29(31,32)21-10-7-11-23(18-21)34-27(40)25(19-8-3-1-4-9-19)36-28(41)35-22-15-13-20(14-16-22)26(39)33-17-6-2-5-12-24(38)37-42/h1,3-4,7-11,13-16,18,25,42H,2,5-6,12,17H2,(H,33,39)(H,34,40)(H,37,38)(H2,35,36,41) | 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 | 967 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50538729
(CHEMBL4649617)Show InChI InChI=1S/C16H14N2O2S/c19-16(18-20)11-5-7-13(8-6-11)17-9-12-10-21-15-4-2-1-3-14(12)15/h1-8,10,17,20H,9H2,(H,18,19) | 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 | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50538731
(CHEMBL4634160)Show SMILES OC(=O)CC[C@@H](NC(=O)Cc1ccc(Br)cc1)C(=O)NCc1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C20H20BrN3O6/c21-15-5-1-13(2-6-15)11-18(25)23-17(9-10-19(26)27)20(28)22-12-14-3-7-16(8-4-14)24(29)30/h1-8,17H,9-12H2,(H,22,28)(H,23,25)(H,26,27)/t17-/m1/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 | 2.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50538731
(CHEMBL4634160)Show SMILES OC(=O)CC[C@@H](NC(=O)Cc1ccc(Br)cc1)C(=O)NCc1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C20H20BrN3O6/c21-15-5-1-13(2-6-15)11-18(25)23-17(9-10-19(26)27)20(28)22-12-14-3-7-16(8-4-14)24(29)30/h1-8,17H,9-12H2,(H,22,28)(H,23,25)(H,26,27)/t17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM25150
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50538732
(CHEMBL4642817)Show SMILES Cc1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C26H24N4O4/c1-16-6-12-20(13-7-16)28-26(33)23(14-19-15-27-22-5-3-2-4-21(19)22)29-24(31)17-8-10-18(11-9-17)25(32)30-34/h2-13,15,23,27,34H,14H2,1H3,(H,28,33)(H,29,31)(H,30,32) | 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 | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) |
Eur J Med Chem 164: 214-240 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.039
BindingDB Entry DOI: 10.7270/Q2445R1P |
More data for this
Ligand-Target Pair | |
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