Found 22 hits with Last Name = 'rangasamy' and Initial = 'l' 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 1
(Homo sapiens (Human)) | BDBM50539774
(CHEMBL4648157)Show SMILES COc1ccc(cn1)-c1cc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2c1 Show InChI InChI=1S/C25H26N6O4S/c1-30(25-27-13-19(14-28-25)24(32)29-33)15-20-10-18-9-17(16-3-4-22(34-2)26-12-16)11-21(23(18)36-20)31-5-7-35-8-6-31/h3-4,9-14,33H,5-8,15H2,1-2H3,(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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha 3
(Homo sapiens) | BDBM50539771
(CHEMBL4649511)Show SMILES OC(=O)C(F)(F)F.ONC(=O)CCCCCCCNc1nc2cc(ccc2c2cnccc12)C(O)=O Show InChI InChI=1S/C21H24N4O4/c26-19(25-29)6-4-2-1-3-5-10-23-20-16-9-11-22-13-17(16)15-8-7-14(21(27)28)12-18(15)24-20/h7-9,11-13,29H,1-6,10H2,(H,23,24)(H,25,26)(H,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2 using RRRDDDSDDD peptide as substrate preincubated for 30 mins followed by substrate addition and measured after ... |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha 3
(Homo sapiens) | BDBM50335638
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2 using RRRDDDSDDD peptide as substrate preincubated for 30 mins followed by substrate addition and measured after ... |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50539773
(CHEMBL4637274)Show SMILES COc1cc2cccc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C26H28N2O4/c1-3-19-10-8-12-21(16-19)27-23-13-9-11-20-17-24(31-2)25(18-22(20)23)32-15-7-5-4-6-14-26(29)28-30/h1,8-13,16-18,27,30H,4-7,14-15H2,2H3,(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of EGFR (unknown origin) |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50539771
(CHEMBL4649511)Show SMILES OC(=O)C(F)(F)F.ONC(=O)CCCCCCCNc1nc2cc(ccc2c2cnccc12)C(O)=O Show InChI InChI=1S/C21H24N4O4/c26-19(25-29)6-4-2-1-3-5-10-23-20-16-9-11-22-13-17(16)15-8-7-14(21(27)28)12-18(15)24-20/h7-9,11-13,29H,1-6,10H2,(H,23,24)(H,25,26)(H,27,28) | 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 | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 using fluorogenic substrate incubated for 30 mins by fluorescence based assay |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha 3
(Homo sapiens) | BDBM50539769
(CHEMBL4637423)Show SMILES OC(=O)C(F)(F)F.ONC(=O)CCCCCNc1nc2cc(ccc2c2cnccc12)C(O)=O Show InChI InChI=1S/C19H20N4O4/c24-17(23-27)4-2-1-3-8-21-18-14-7-9-20-11-15(14)13-6-5-12(19(25)26)10-16(13)22-18/h5-7,9-11,27H,1-4,8H2,(H,21,22)(H,23,24)(H,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2 using RRRDDDSDDD peptide as substrate preincubated for 30 mins followed by substrate addition and measured after ... |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50539773
(CHEMBL4637274)Show SMILES COc1cc2cccc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C26H28N2O4/c1-3-19-10-8-12-21(16-19)27-23-13-9-11-20-17-24(31-2)25(18-22(20)23)32-15-7-5-4-6-14-26(29)28-30/h1,8-13,16-18,27,30H,4-7,14-15H2,2H3,(H,28,29) | 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 | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 using fluorogenic substrate incubated for 30 mins by fluorescence based assay |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50539771
(CHEMBL4649511)Show SMILES OC(=O)C(F)(F)F.ONC(=O)CCCCCCCNc1nc2cc(ccc2c2cnccc12)C(O)=O Show InChI InChI=1S/C21H24N4O4/c26-19(25-29)6-4-2-1-3-5-10-23-20-16-9-11-22-13-17(16)15-8-7-14(21(27)28)12-18(15)24-20/h7-9,11-13,29H,1-6,10H2,(H,23,24)(H,25,26)(H,27,28) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC6 using fluorogenic substrate incubated for 30 mins by fluorescence based assay |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha 3
(Homo sapiens) | BDBM50539770
(CHEMBL4645915)Show SMILES OC(=O)C(F)(F)F.ONC(=O)CCCCCCNc1nc2cc(ccc2c2cnccc12)C(O)=O Show InChI InChI=1S/C20H22N4O4/c25-18(24-28)5-3-1-2-4-9-22-19-15-8-10-21-12-16(15)14-7-6-13(20(26)27)11-17(14)23-19/h6-8,10-12,28H,1-5,9H2,(H,22,23)(H,24,25)(H,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2 using RRRDDDSDDD peptide as substrate preincubated for 30 mins followed by substrate addition and measured after ... |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50539773
(CHEMBL4637274)Show SMILES COc1cc2cccc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C26H28N2O4/c1-3-19-10-8-12-21(16-19)27-23-13-9-11-20-17-24(31-2)25(18-22(20)23)32-15-7-5-4-6-14-26(29)28-30/h1,8-13,16-18,27,30H,4-7,14-15H2,2H3,(H,28,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of HER2 (unknown origin) |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha 3
(Homo sapiens) | BDBM50539772
(CHEMBL4637976)Show SMILES OC(=O)C(F)(F)F.ONC(=O)CCCCCCCCNc1nc2cc(ccc2c2cnccc12)C(O)=O Show InChI InChI=1S/C22H26N4O4/c27-20(26-30)7-5-3-1-2-4-6-11-24-21-17-10-12-23-14-18(17)16-9-8-15(22(28)29)13-19(16)25-21/h8-10,12-14,30H,1-7,11H2,(H,24,25)(H,26,27)(H,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2 using RRRDDDSDDD peptide as substrate preincubated for 30 mins followed by substrate addition and measured after ... |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50539774
(CHEMBL4648157)Show SMILES COc1ccc(cn1)-c1cc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2c1 Show InChI InChI=1S/C25H26N6O4S/c1-30(25-27-13-19(14-28-25)24(32)29-33)15-20-10-18-9-17(16-3-4-22(34-2)26-12-16)11-21(23(18)36-20)31-5-7-35-8-6-31/h3-4,9-14,33H,5-8,15H2,1-2H3,(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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(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
Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC6 expressed in Escherichia coli BL21(DE3) cells using Boc-Lys(Ac)-AMC as substrate preincubated for 5 followed by... |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(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
PDB
Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 expressed in Escherichia coli BL21(DE3) cells using KL177 as substrate preincubated for 5 followed by substrate... |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50539772
(CHEMBL4637976)Show SMILES OC(=O)C(F)(F)F.ONC(=O)CCCCCCCCNc1nc2cc(ccc2c2cnccc12)C(O)=O Show InChI InChI=1S/C22H26N4O4/c27-20(26-30)7-5-3-1-2-4-6-11-24-21-17-10-12-23-14-18(17)16-9-8-15(22(28)29)13-19(16)25-21/h8-10,12-14,30H,1-7,11H2,(H,24,25)(H,26,27)(H,28,29) | 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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 using fluorogenic substrate incubated for 30 mins by fluorescence based assay |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50539770
(CHEMBL4645915)Show SMILES OC(=O)C(F)(F)F.ONC(=O)CCCCCCNc1nc2cc(ccc2c2cnccc12)C(O)=O Show InChI InChI=1S/C20H22N4O4/c25-18(24-28)5-3-1-2-4-9-22-19-15-8-10-21-12-16(15)14-7-6-13(20(26)27)11-17(14)23-19/h6-8,10-12,28H,1-5,9H2,(H,22,23)(H,24,25)(H,26,27) | 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 | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 using fluorogenic substrate incubated for 30 mins by fluorescence based assay |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50539769
(CHEMBL4637423)Show SMILES OC(=O)C(F)(F)F.ONC(=O)CCCCCNc1nc2cc(ccc2c2cnccc12)C(O)=O Show InChI InChI=1S/C19H20N4O4/c24-17(23-27)4-2-1-3-8-21-18-14-7-9-20-11-15(14)13-6-5-12(19(25)26)10-16(13)22-18/h5-7,9-11,27H,1-4,8H2,(H,21,22)(H,23,24)(H,25,26) | 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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 using fluorogenic substrate incubated for 30 mins by fluorescence based assay |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50470579
(4sc-202 | Domatinostat)Show SMILES Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)n1ccc(\C=C\C(=O)Nc2ccccc2N)c1 Show InChI InChI=1S/C23H21N5O3S/c1-27-16-19(14-25-27)18-7-9-20(10-8-18)32(30,31)28-13-12-17(15-28)6-11-23(29)26-22-5-3-2-4-21(22)24/h2-16H,24H2,1H3,(H,26,29)/b11-6+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of KDM1A/LSD1 (unknown origin) |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
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 | 776 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC8 expressed in Escherichia coli BL21(DE3) cells using Boc-Lys(TFA)-AMC as substrate preincubated for 5 followed b... |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone deacetylase 4
(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
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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC4 expressed in Escherichia coli BL21(DE3) cells using Boc-Lys(TFA)-AMC as substrate preincubated for 5 followed b... |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50470579
(4sc-202 | Domatinostat)Show SMILES Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)n1ccc(\C=C\C(=O)Nc2ccccc2N)c1 Show InChI InChI=1S/C23H21N5O3S/c1-27-16-19(14-25-27)18-7-9-20(10-8-18)32(30,31)28-13-12-17(15-28)6-11-23(29)26-22-5-3-2-4-21(22)24/h2-16H,24H2,1H3,(H,26,29)/b11-6+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad San Pablo-CEU
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
ACS Med Chem Lett 11: 713-719 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00561
BindingDB Entry DOI: 10.7270/Q26M3BCW |
More data for this
Ligand-Target Pair | |
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