Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50040553 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)) | BDBM50238632
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50238632
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC3/NCoR2 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50379132
(CHEMBL2012813)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C32H47N5O5/c1-6-24(38)12-8-7-9-15-27-31(41)36-28(17-22-19-33-26-14-11-10-13-25(22)26)32(42)34-23(16-20(2)3)18-29(39)37(5)21(4)30(40)35-27/h10-11,13-14,19-21,23,27-28,33H,6-9,12,15-18H2,1-5H3,(H,34,42)(H,35,40)(H,36,41)/t21-,23-,27-,28-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC3/NCoR2 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50379132
(CHEMBL2012813)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C32H47N5O5/c1-6-24(38)12-8-7-9-15-27-31(41)36-28(17-22-19-33-26-14-11-10-13-25(22)26)32(42)34-23(16-20(2)3)18-29(39)37(5)21(4)30(40)35-27/h10-11,13-14,19-21,23,27-28,33H,6-9,12,15-18H2,1-5H3,(H,34,42)(H,35,40)(H,36,41)/t21-,23-,27-,28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50238632
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC2 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50379132
(CHEMBL2012813)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C32H47N5O5/c1-6-24(38)12-8-7-9-15-27-31(41)36-28(17-22-19-33-26-14-11-10-13-25(22)26)32(42)34-23(16-20(2)3)18-29(39)37(5)21(4)30(40)35-27/h10-11,13-14,19-21,23,27-28,33H,6-9,12,15-18H2,1-5H3,(H,34,42)(H,35,40)(H,36,41)/t21-,23-,27-,28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC2 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50396044
(CHEMBL2170019)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r,wU:13.13,9.8,(44.46,-8.52,;43.11,-7.79,;41.79,-8.59,;41.83,-10.13,;40.44,-7.86,;39.13,-8.66,;37.77,-7.92,;36.46,-8.73,;35.11,-7.99,;33.89,-8.94,;32.43,-8.52,;32.02,-7.01,;32.97,-5.79,;30.18,-6.98,;29.32,-5.7,;27.79,-5.64,;27,-4.32,;25.48,-4.36,;24.68,-3.04,;25.43,-1.64,;23.2,-3.05,;29.72,-8.45,;28.29,-8.98,;27.03,-8.09,;28.29,-10.5,;29.73,-10.95,;29.73,-12.43,;28.4,-13.19,;27.07,-12.42,;25.73,-13.19,;27.07,-10.88,;31.17,-12.93,;31.19,-14.47,;32.37,-12.43,;32.35,-10.95,;33.1,-12.27,;33.1,-13.81,;34.43,-14.59,;35.82,-13.97,;36.85,-15.12,;36.07,-16.46,;36.54,-17.91,;35.51,-19.04,;34,-18.72,;33.54,-17.25,;34.57,-16.12,;33.96,-10.62,;35.29,-11.66,)| Show InChI InChI=1S/C35H54N8O5/c1-4-26(44)11-6-5-7-14-30-34(48)43(19-16-25-21-39-28-13-9-8-12-27(25)28)23-32(46)42(22-24(2)3)20-17-31(45)40-29(33(47)41-30)15-10-18-38-35(36)37/h8-9,12-13,21,24,29-30,39H,4-7,10-11,14-20,22-23H2,1-3H3,(H,40,45)(H,41,47)(H4,36,37,38)/t29-,30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC3/NCoR2 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50396044
(CHEMBL2170019)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r,wU:13.13,9.8,(44.46,-8.52,;43.11,-7.79,;41.79,-8.59,;41.83,-10.13,;40.44,-7.86,;39.13,-8.66,;37.77,-7.92,;36.46,-8.73,;35.11,-7.99,;33.89,-8.94,;32.43,-8.52,;32.02,-7.01,;32.97,-5.79,;30.18,-6.98,;29.32,-5.7,;27.79,-5.64,;27,-4.32,;25.48,-4.36,;24.68,-3.04,;25.43,-1.64,;23.2,-3.05,;29.72,-8.45,;28.29,-8.98,;27.03,-8.09,;28.29,-10.5,;29.73,-10.95,;29.73,-12.43,;28.4,-13.19,;27.07,-12.42,;25.73,-13.19,;27.07,-10.88,;31.17,-12.93,;31.19,-14.47,;32.37,-12.43,;32.35,-10.95,;33.1,-12.27,;33.1,-13.81,;34.43,-14.59,;35.82,-13.97,;36.85,-15.12,;36.07,-16.46,;36.54,-17.91,;35.51,-19.04,;34,-18.72,;33.54,-17.25,;34.57,-16.12,;33.96,-10.62,;35.29,-11.66,)| Show InChI InChI=1S/C35H54N8O5/c1-4-26(44)11-6-5-7-14-30-34(48)43(19-16-25-21-39-28-13-9-8-12-27(25)28)23-32(46)42(22-24(2)3)20-17-31(45)40-29(33(47)41-30)15-10-18-38-35(36)37/h8-9,12-13,21,24,29-30,39H,4-7,10-11,14-20,22-23H2,1-3H3,(H,40,45)(H,41,47)(H4,36,37,38)/t29-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50396043
(CHEMBL2170018)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCCNC(C)=O)NC(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r| Show InChI InChI=1S/C37H56N6O6/c1-5-29(45)13-7-6-8-17-33-37(49)43(21-18-28-23-39-31-15-10-9-14-30(28)31)25-35(47)42(24-26(2)3)22-19-34(46)40-32(36(48)41-33)16-11-12-20-38-27(4)44/h9-10,14-15,23,26,32-33,39H,5-8,11-13,16-22,24-25H2,1-4H3,(H,38,44)(H,40,46)(H,41,48)/t32-,33-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50396042
(CHEMBL2170017)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCN(CC=C(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r,wU:13.13,9.8,(56.09,-30.64,;54.73,-29.9,;53.42,-30.71,;53.46,-32.24,;52.07,-29.97,;50.75,-30.77,;49.4,-30.04,;48.09,-30.84,;46.73,-30.11,;45.52,-31.06,;44.06,-30.63,;43.65,-29.12,;44.6,-27.91,;41.81,-29.09,;40.95,-27.82,;39.42,-27.75,;38.63,-26.44,;37.11,-26.47,;36.31,-25.15,;37.06,-23.76,;34.83,-25.16,;41.35,-30.56,;39.92,-31.09,;38.65,-30.21,;39.92,-32.61,;41.35,-33.06,;41.36,-34.54,;40.03,-35.31,;38.69,-34.53,;37.36,-35.3,;36.03,-34.53,;37.36,-36.84,;42.79,-35.04,;42.82,-36.58,;44,-34.54,;43.97,-33.06,;44.73,-34.39,;44.72,-35.93,;46.05,-36.7,;47.45,-36.09,;48.48,-37.24,;47.7,-38.57,;48.16,-40.02,;47.14,-41.16,;45.63,-40.83,;45.17,-39.37,;46.2,-38.24,;45.59,-32.74,;46.92,-33.78,)| Show InChI InChI=1S/C36H54N8O5/c1-4-27(45)11-6-5-7-14-31-35(49)44(21-17-26-23-40-29-13-9-8-12-28(26)29)24-33(47)43(20-16-25(2)3)22-18-32(46)41-30(34(48)42-31)15-10-19-39-36(37)38/h8-9,12-13,16,23,30-31,40H,4-7,10-11,14-15,17-22,24H2,1-3H3,(H,41,46)(H,42,48)(H4,37,38,39)/t30-,31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC3/NCoR2 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50396044
(CHEMBL2170019)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r,wU:13.13,9.8,(44.46,-8.52,;43.11,-7.79,;41.79,-8.59,;41.83,-10.13,;40.44,-7.86,;39.13,-8.66,;37.77,-7.92,;36.46,-8.73,;35.11,-7.99,;33.89,-8.94,;32.43,-8.52,;32.02,-7.01,;32.97,-5.79,;30.18,-6.98,;29.32,-5.7,;27.79,-5.64,;27,-4.32,;25.48,-4.36,;24.68,-3.04,;25.43,-1.64,;23.2,-3.05,;29.72,-8.45,;28.29,-8.98,;27.03,-8.09,;28.29,-10.5,;29.73,-10.95,;29.73,-12.43,;28.4,-13.19,;27.07,-12.42,;25.73,-13.19,;27.07,-10.88,;31.17,-12.93,;31.19,-14.47,;32.37,-12.43,;32.35,-10.95,;33.1,-12.27,;33.1,-13.81,;34.43,-14.59,;35.82,-13.97,;36.85,-15.12,;36.07,-16.46,;36.54,-17.91,;35.51,-19.04,;34,-18.72,;33.54,-17.25,;34.57,-16.12,;33.96,-10.62,;35.29,-11.66,)| Show InChI InChI=1S/C35H54N8O5/c1-4-26(44)11-6-5-7-14-30-34(48)43(19-16-25-21-39-28-13-9-8-12-27(25)28)23-32(46)42(22-24(2)3)20-17-31(45)40-29(33(47)41-30)15-10-18-38-35(36)37/h8-9,12-13,21,24,29-30,39H,4-7,10-11,14-20,22-23H2,1-3H3,(H,40,45)(H,41,47)(H4,36,37,38)/t29-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC2 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50396043
(CHEMBL2170018)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCCNC(C)=O)NC(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r| Show InChI InChI=1S/C37H56N6O6/c1-5-29(45)13-7-6-8-17-33-37(49)43(21-18-28-23-39-31-15-10-9-14-30(28)31)25-35(47)42(24-26(2)3)22-19-34(46)40-32(36(48)41-33)16-11-12-20-38-27(4)44/h9-10,14-15,23,26,32-33,39H,5-8,11-13,16-22,24-25H2,1-4H3,(H,38,44)(H,40,46)(H,41,48)/t32-,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC3/NCoR2 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50396043
(CHEMBL2170018)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCCNC(C)=O)NC(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r| Show InChI InChI=1S/C37H56N6O6/c1-5-29(45)13-7-6-8-17-33-37(49)43(21-18-28-23-39-31-15-10-9-14-30(28)31)25-35(47)42(24-26(2)3)22-19-34(46)40-32(36(48)41-33)16-11-12-20-38-27(4)44/h9-10,14-15,23,26,32-33,39H,5-8,11-13,16-22,24-25H2,1-4H3,(H,38,44)(H,40,46)(H,41,48)/t32-,33-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC2 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50396045
(CHEMBL2170186)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r| Show InChI InChI=1S/C33H49N5O5/c1-6-26(39)12-8-7-9-15-29-33(43)38(18-16-25-20-34-28-14-11-10-13-27(25)28)22-31(41)37(21-23(2)3)19-17-30(40)36(5)24(4)32(42)35-29/h10-11,13-14,20,23-24,29,34H,6-9,12,15-19,21-22H2,1-5H3,(H,35,42)/t24-,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50396045
(CHEMBL2170186)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r| Show InChI InChI=1S/C33H49N5O5/c1-6-26(39)12-8-7-9-15-29-33(43)38(18-16-25-20-34-28-14-11-10-13-27(25)28)22-31(41)37(21-23(2)3)19-17-30(40)36(5)24(4)32(42)35-29/h10-11,13-14,20,23-24,29,34H,6-9,12,15-19,21-22H2,1-5H3,(H,35,42)/t24-,29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC3/NCoR2 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50396042
(CHEMBL2170017)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCN(CC=C(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r,wU:13.13,9.8,(56.09,-30.64,;54.73,-29.9,;53.42,-30.71,;53.46,-32.24,;52.07,-29.97,;50.75,-30.77,;49.4,-30.04,;48.09,-30.84,;46.73,-30.11,;45.52,-31.06,;44.06,-30.63,;43.65,-29.12,;44.6,-27.91,;41.81,-29.09,;40.95,-27.82,;39.42,-27.75,;38.63,-26.44,;37.11,-26.47,;36.31,-25.15,;37.06,-23.76,;34.83,-25.16,;41.35,-30.56,;39.92,-31.09,;38.65,-30.21,;39.92,-32.61,;41.35,-33.06,;41.36,-34.54,;40.03,-35.31,;38.69,-34.53,;37.36,-35.3,;36.03,-34.53,;37.36,-36.84,;42.79,-35.04,;42.82,-36.58,;44,-34.54,;43.97,-33.06,;44.73,-34.39,;44.72,-35.93,;46.05,-36.7,;47.45,-36.09,;48.48,-37.24,;47.7,-38.57,;48.16,-40.02,;47.14,-41.16,;45.63,-40.83,;45.17,-39.37,;46.2,-38.24,;45.59,-32.74,;46.92,-33.78,)| Show InChI InChI=1S/C36H54N8O5/c1-4-27(45)11-6-5-7-14-31-35(49)44(21-17-26-23-40-29-13-9-8-12-28(26)29)24-33(47)43(20-16-25(2)3)22-18-32(46)41-30(34(48)42-31)15-10-19-39-36(37)38/h8-9,12-13,16,23,30-31,40H,4-7,10-11,14-15,17-22,24H2,1-3H3,(H,41,46)(H,42,48)(H4,37,38,39)/t30-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50238632
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC8 using Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50396044
(CHEMBL2170019)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r,wU:13.13,9.8,(44.46,-8.52,;43.11,-7.79,;41.79,-8.59,;41.83,-10.13,;40.44,-7.86,;39.13,-8.66,;37.77,-7.92,;36.46,-8.73,;35.11,-7.99,;33.89,-8.94,;32.43,-8.52,;32.02,-7.01,;32.97,-5.79,;30.18,-6.98,;29.32,-5.7,;27.79,-5.64,;27,-4.32,;25.48,-4.36,;24.68,-3.04,;25.43,-1.64,;23.2,-3.05,;29.72,-8.45,;28.29,-8.98,;27.03,-8.09,;28.29,-10.5,;29.73,-10.95,;29.73,-12.43,;28.4,-13.19,;27.07,-12.42,;25.73,-13.19,;27.07,-10.88,;31.17,-12.93,;31.19,-14.47,;32.37,-12.43,;32.35,-10.95,;33.1,-12.27,;33.1,-13.81,;34.43,-14.59,;35.82,-13.97,;36.85,-15.12,;36.07,-16.46,;36.54,-17.91,;35.51,-19.04,;34,-18.72,;33.54,-17.25,;34.57,-16.12,;33.96,-10.62,;35.29,-11.66,)| Show InChI InChI=1S/C35H54N8O5/c1-4-26(44)11-6-5-7-14-30-34(48)43(19-16-25-21-39-28-13-9-8-12-27(25)28)23-32(46)42(22-24(2)3)20-17-31(45)40-29(33(47)41-30)15-10-18-38-35(36)37/h8-9,12-13,21,24,29-30,39H,4-7,10-11,14-20,22-23H2,1-3H3,(H,40,45)(H,41,47)(H4,36,37,38)/t29-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC8 using Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50396042
(CHEMBL2170017)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCN(CC=C(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r,wU:13.13,9.8,(56.09,-30.64,;54.73,-29.9,;53.42,-30.71,;53.46,-32.24,;52.07,-29.97,;50.75,-30.77,;49.4,-30.04,;48.09,-30.84,;46.73,-30.11,;45.52,-31.06,;44.06,-30.63,;43.65,-29.12,;44.6,-27.91,;41.81,-29.09,;40.95,-27.82,;39.42,-27.75,;38.63,-26.44,;37.11,-26.47,;36.31,-25.15,;37.06,-23.76,;34.83,-25.16,;41.35,-30.56,;39.92,-31.09,;38.65,-30.21,;39.92,-32.61,;41.35,-33.06,;41.36,-34.54,;40.03,-35.31,;38.69,-34.53,;37.36,-35.3,;36.03,-34.53,;37.36,-36.84,;42.79,-35.04,;42.82,-36.58,;44,-34.54,;43.97,-33.06,;44.73,-34.39,;44.72,-35.93,;46.05,-36.7,;47.45,-36.09,;48.48,-37.24,;47.7,-38.57,;48.16,-40.02,;47.14,-41.16,;45.63,-40.83,;45.17,-39.37,;46.2,-38.24,;45.59,-32.74,;46.92,-33.78,)| Show InChI InChI=1S/C36H54N8O5/c1-4-27(45)11-6-5-7-14-31-35(49)44(21-17-26-23-40-29-13-9-8-12-28(26)29)24-33(47)43(20-16-25(2)3)22-18-32(46)41-30(34(48)42-31)15-10-19-39-36(37)38/h8-9,12-13,16,23,30-31,40H,4-7,10-11,14-15,17-22,24H2,1-3H3,(H,41,46)(H,42,48)(H4,37,38,39)/t30-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC2 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50396045
(CHEMBL2170186)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r| Show InChI InChI=1S/C33H49N5O5/c1-6-26(39)12-8-7-9-15-29-33(43)38(18-16-25-20-34-28-14-11-10-13-27(25)28)22-31(41)37(21-23(2)3)19-17-30(40)36(5)24(4)32(42)35-29/h10-11,13-14,20,23-24,29,34H,6-9,12,15-19,21-22H2,1-5H3,(H,35,42)/t24-,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC2 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50379132
(CHEMBL2012813)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C32H47N5O5/c1-6-24(38)12-8-7-9-15-27-31(41)36-28(17-22-19-33-26-14-11-10-13-25(22)26)32(42)34-23(16-20(2)3)18-29(39)37(5)21(4)30(40)35-27/h10-11,13-14,19-21,23,27-28,33H,6-9,12,15-18H2,1-5H3,(H,34,42)(H,35,40)(H,36,41)/t21-,23-,27-,28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC8 using Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50396045
(CHEMBL2170186)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r| Show InChI InChI=1S/C33H49N5O5/c1-6-26(39)12-8-7-9-15-29-33(43)38(18-16-25-20-34-28-14-11-10-13-27(25)28)22-31(41)37(21-23(2)3)19-17-30(40)36(5)24(4)32(42)35-29/h10-11,13-14,20,23-24,29,34H,6-9,12,15-19,21-22H2,1-5H3,(H,35,42)/t24-,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC6 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50396042
(CHEMBL2170017)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCN(CC=C(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r,wU:13.13,9.8,(56.09,-30.64,;54.73,-29.9,;53.42,-30.71,;53.46,-32.24,;52.07,-29.97,;50.75,-30.77,;49.4,-30.04,;48.09,-30.84,;46.73,-30.11,;45.52,-31.06,;44.06,-30.63,;43.65,-29.12,;44.6,-27.91,;41.81,-29.09,;40.95,-27.82,;39.42,-27.75,;38.63,-26.44,;37.11,-26.47,;36.31,-25.15,;37.06,-23.76,;34.83,-25.16,;41.35,-30.56,;39.92,-31.09,;38.65,-30.21,;39.92,-32.61,;41.35,-33.06,;41.36,-34.54,;40.03,-35.31,;38.69,-34.53,;37.36,-35.3,;36.03,-34.53,;37.36,-36.84,;42.79,-35.04,;42.82,-36.58,;44,-34.54,;43.97,-33.06,;44.73,-34.39,;44.72,-35.93,;46.05,-36.7,;47.45,-36.09,;48.48,-37.24,;47.7,-38.57,;48.16,-40.02,;47.14,-41.16,;45.63,-40.83,;45.17,-39.37,;46.2,-38.24,;45.59,-32.74,;46.92,-33.78,)| Show InChI InChI=1S/C36H54N8O5/c1-4-27(45)11-6-5-7-14-31-35(49)44(21-17-26-23-40-29-13-9-8-12-28(26)29)24-33(47)43(20-16-25(2)3)22-18-32(46)41-30(34(48)42-31)15-10-19-39-36(37)38/h8-9,12-13,16,23,30-31,40H,4-7,10-11,14-15,17-22,24H2,1-3H3,(H,41,46)(H,42,48)(H4,37,38,39)/t30-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC6 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50396043
(CHEMBL2170018)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCCNC(C)=O)NC(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r| Show InChI InChI=1S/C37H56N6O6/c1-5-29(45)13-7-6-8-17-33-37(49)43(21-18-28-23-39-31-15-10-9-14-30(28)31)25-35(47)42(24-26(2)3)22-19-34(46)40-32(36(48)41-33)16-11-12-20-38-27(4)44/h9-10,14-15,23,26,32-33,39H,5-8,11-13,16-22,24-25H2,1-4H3,(H,38,44)(H,40,46)(H,41,48)/t32-,33-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC6 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50396044
(CHEMBL2170019)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r,wU:13.13,9.8,(44.46,-8.52,;43.11,-7.79,;41.79,-8.59,;41.83,-10.13,;40.44,-7.86,;39.13,-8.66,;37.77,-7.92,;36.46,-8.73,;35.11,-7.99,;33.89,-8.94,;32.43,-8.52,;32.02,-7.01,;32.97,-5.79,;30.18,-6.98,;29.32,-5.7,;27.79,-5.64,;27,-4.32,;25.48,-4.36,;24.68,-3.04,;25.43,-1.64,;23.2,-3.05,;29.72,-8.45,;28.29,-8.98,;27.03,-8.09,;28.29,-10.5,;29.73,-10.95,;29.73,-12.43,;28.4,-13.19,;27.07,-12.42,;25.73,-13.19,;27.07,-10.88,;31.17,-12.93,;31.19,-14.47,;32.37,-12.43,;32.35,-10.95,;33.1,-12.27,;33.1,-13.81,;34.43,-14.59,;35.82,-13.97,;36.85,-15.12,;36.07,-16.46,;36.54,-17.91,;35.51,-19.04,;34,-18.72,;33.54,-17.25,;34.57,-16.12,;33.96,-10.62,;35.29,-11.66,)| Show InChI InChI=1S/C35H54N8O5/c1-4-26(44)11-6-5-7-14-30-34(48)43(19-16-25-21-39-28-13-9-8-12-27(25)28)23-32(46)42(22-24(2)3)20-17-31(45)40-29(33(47)41-30)15-10-18-38-35(36)37/h8-9,12-13,21,24,29-30,39H,4-7,10-11,14-20,22-23H2,1-3H3,(H,40,45)(H,41,47)(H4,36,37,38)/t29-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC6 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50379132
(CHEMBL2012813)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C32H47N5O5/c1-6-24(38)12-8-7-9-15-27-31(41)36-28(17-22-19-33-26-14-11-10-13-25(22)26)32(42)34-23(16-20(2)3)18-29(39)37(5)21(4)30(40)35-27/h10-11,13-14,19-21,23,27-28,33H,6-9,12,15-18H2,1-5H3,(H,34,42)(H,35,40)(H,36,41)/t21-,23-,27-,28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC6 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50238632
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC6 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay |
ACS Med Chem Lett 3: 749-753 (2012)
Article DOI: 10.1021/ml300162r
BindingDB Entry DOI: 10.7270/Q29P32R4 |
More data for this
Ligand-Target Pair | |
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