Found 18 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
(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
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| Purchase
CHEMBL
DrugBank
MCE
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PC cid
PC sid
PDB
UniChem
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| PDB
Article
PubMed
| n/a | n/a | 2.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human K562 cells using Boc-K(Ac)-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068
BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone-lysine N-methyltransferase EHMT2
(Homo sapiens (Human)) | BDBM50300028
(CHEMBL569864 | N-(1-benzylpiperidin-4-yl)-6,7-dime...)Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1 Show InChI InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31) | PDB
UniProtKB/SwissProt
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| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description
Inhibition of G9a in human MDA-MB-231 cells assessed as reduction in H3K9me2 level after 2 days by immunofluorescence in-cell western analysis |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068
BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(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
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DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 5.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells using Boc-K(Ac)-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068
BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50465081
(CHEMBL4294122)Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCC(=O)NO)nc2c1 Show InChI InChI=1S/C30H41N7O4/c1-41-24-12-13-25-26(20-24)34-30(32-17-16-31-27(38)10-6-3-7-11-28(39)36-40)35-29(25)33-23-14-18-37(19-15-23)21-22-8-4-2-5-9-22/h2,4-5,8-9,12-13,20,23,40H,3,6-7,10-11,14-19,21H2,1H3,(H,31,38)(H,36,39)(H2,32,33,34,35) | PDB
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human K562 cells using Boc-K(Ac)-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068
BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT2
(Homo sapiens (Human)) | BDBM50465081
(CHEMBL4294122)Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCC(=O)NO)nc2c1 Show InChI InChI=1S/C30H41N7O4/c1-41-24-12-13-25-26(20-24)34-30(32-17-16-31-27(38)10-6-3-7-11-28(39)36-40)35-29(25)33-23-14-18-37(19-15-23)21-22-8-4-2-5-9-22/h2,4-5,8-9,12-13,20,23,40H,3,6-7,10-11,14-19,21H2,1H3,(H,31,38)(H,36,39)(H2,32,33,34,35) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description
Inhibition of G9a in human MDA-MB-231 cells assessed as reduction in H3K9me2 level after 2 days by immunofluorescence in-cell western analysis |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068
BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50465081
(CHEMBL4294122)Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCC(=O)NO)nc2c1 Show InChI InChI=1S/C30H41N7O4/c1-41-24-12-13-25-26(20-24)34-30(32-17-16-31-27(38)10-6-3-7-11-28(39)36-40)35-29(25)33-23-14-18-37(19-15-23)21-22-8-4-2-5-9-22/h2,4-5,8-9,12-13,20,23,40H,3,6-7,10-11,14-19,21H2,1H3,(H,31,38)(H,36,39)(H2,32,33,34,35) | PDB
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells using Boc-K(Ac)-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068
BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50465086
(CHEMBL4286227)Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCCC(=O)NO)nc2c1 Show InChI InChI=1S/C31H43N7O4/c1-42-25-13-14-26-27(21-25)35-31(33-18-17-32-28(39)11-7-2-3-8-12-29(40)37-41)36-30(26)34-24-15-19-38(20-16-24)22-23-9-5-4-6-10-23/h4-6,9-10,13-14,21,24,41H,2-3,7-8,11-12,15-20,22H2,1H3,(H,32,39)(H,37,40)(H2,33,34,35,36) | PDB
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells using Boc-K(Ac)-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068
BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT2
(Homo sapiens (Human)) | BDBM50465082
(CHEMBL4292218)Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCCCCC(=O)NO)N1CCCN(C)CC1 Show InChI InChI=1S/C30H49N7O4/c1-22(2)36-15-11-23(12-16-36)31-29-24-20-26(40-4)27(41-19-8-6-5-7-10-28(38)34-39)21-25(24)32-30(33-29)37-14-9-13-35(3)17-18-37/h20-23,39H,5-19H2,1-4H3,(H,34,38)(H,31,32,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description
Inhibition of G9a in human MDA-MB-231 cells assessed as reduction in H3K9me2 level after 2 days by immunofluorescence in-cell western analysis |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068
BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50465086
(CHEMBL4286227)Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCCC(=O)NO)nc2c1 Show InChI InChI=1S/C31H43N7O4/c1-42-25-13-14-26-27(21-25)35-31(33-18-17-32-28(39)11-7-2-3-8-12-29(40)37-41)36-30(26)34-24-15-19-38(20-16-24)22-23-9-5-4-6-10-23/h4-6,9-10,13-14,21,24,41H,2-3,7-8,11-12,15-20,22H2,1H3,(H,32,39)(H,37,40)(H2,33,34,35,36) | PDB
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human K562 cells using Boc-K(Ac)-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068
BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT2
(Homo sapiens (Human)) | BDBM50465086
(CHEMBL4286227)Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCCC(=O)NO)nc2c1 Show InChI InChI=1S/C31H43N7O4/c1-42-25-13-14-26-27(21-25)35-31(33-18-17-32-28(39)11-7-2-3-8-12-29(40)37-41)36-30(26)34-24-15-19-38(20-16-24)22-23-9-5-4-6-10-23/h4-6,9-10,13-14,21,24,41H,2-3,7-8,11-12,15-20,22H2,1H3,(H,32,39)(H,37,40)(H2,33,34,35,36) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description
Inhibition of G9a in human MDA-MB-231 cells assessed as reduction in H3K9me2 level after 2 days by immunofluorescence in-cell western analysis |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068
BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT2
(Homo sapiens (Human)) | BDBM50465085
(CHEMBL4282835)Show SMILES COc1ccc2c(NC3CCN(C)CC3)nc(NCCNC(=O)CCCCCC(=O)NO)nc2c1 Show InChI InChI=1S/C24H37N7O4/c1-31-14-10-17(11-15-31)27-23-19-9-8-18(35-2)16-20(19)28-24(29-23)26-13-12-25-21(32)6-4-3-5-7-22(33)30-34/h8-9,16-17,34H,3-7,10-15H2,1-2H3,(H,25,32)(H,30,33)(H2,26,27,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description
Inhibition of G9a in human MDA-MB-231 cells assessed as reduction in H3K9me2 level after 2 days by immunofluorescence in-cell western analysis |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068
BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT2
(Homo sapiens (Human)) | BDBM50465083
(CHEMBL4290721)Show SMILES CNC(=O)CCCCC(=O)NCCNc1nc(NC2CCN(C)CC2)c2ccc(OC)cc2n1 Show InChI InChI=1S/C24H37N7O3/c1-25-21(32)6-4-5-7-22(33)26-12-13-27-24-29-20-16-18(34-3)8-9-19(20)23(30-24)28-17-10-14-31(2)15-11-17/h8-9,16-17H,4-7,10-15H2,1-3H3,(H,25,32)(H,26,33)(H2,27,28,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description
Inhibition of G9a in human MDA-MB-231 cells assessed as reduction in H3K9me2 level after 2 days by immunofluorescence in-cell western analysis |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068
BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(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
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| Purchase
CHEMBL
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MCE
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human A549 cells using Boc-K(Ac)-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068
BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50465084
(CHEMBL4284312)Show SMILES COc1ccc2c(NCCNC(=O)CCCCCCC(=O)NO)nc(nc2c1)N1CCCN(C)CC1 Show InChI InChI=1S/C25H39N7O4/c1-31-14-7-15-32(17-16-31)25-28-21-18-19(36-2)10-11-20(21)24(29-25)27-13-12-26-22(33)8-5-3-4-6-9-23(34)30-35/h10-11,18,35H,3-9,12-17H2,1-2H3,(H,26,33)(H,30,34)(H,27,28,29) | PDB
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells using Boc-K(Ac)-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068
BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50465084
(CHEMBL4284312)Show SMILES COc1ccc2c(NCCNC(=O)CCCCCCC(=O)NO)nc(nc2c1)N1CCCN(C)CC1 Show InChI InChI=1S/C25H39N7O4/c1-31-14-7-15-32(17-16-31)25-28-21-18-19(36-2)10-11-20(21)24(29-25)27-13-12-26-22(33)8-5-3-4-6-9-23(34)30-35/h10-11,18,35H,3-9,12-17H2,1-2H3,(H,26,33)(H,30,34)(H,27,28,29) | PDB
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human A549 cells using Boc-K(Ac)-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068
BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50465081
(CHEMBL4294122)Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCC(=O)NO)nc2c1 Show InChI InChI=1S/C30H41N7O4/c1-41-24-12-13-25-26(20-24)34-30(32-17-16-31-27(38)10-6-3-7-11-28(39)36-40)35-29(25)33-23-14-18-37(19-15-23)21-22-8-4-2-5-9-22/h2,4-5,8-9,12-13,20,23,40H,3,6-7,10-11,14-19,21H2,1H3,(H,31,38)(H,36,39)(H2,32,33,34,35) | PDB
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human A549 cells using Boc-K(Ac)-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068
BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50465084
(CHEMBL4284312)Show SMILES COc1ccc2c(NCCNC(=O)CCCCCCC(=O)NO)nc(nc2c1)N1CCCN(C)CC1 Show InChI InChI=1S/C25H39N7O4/c1-31-14-7-15-32(17-16-31)25-28-21-18-19(36-2)10-11-20(21)24(29-25)27-13-12-26-22(33)8-5-3-4-6-9-23(34)30-35/h10-11,18,35H,3-9,12-17H2,1-2H3,(H,26,33)(H,30,34)(H,27,28,29) | PDB
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human K562 cells using Boc-K(Ac)-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068
BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50465086
(CHEMBL4286227)Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCCC(=O)NO)nc2c1 Show InChI InChI=1S/C31H43N7O4/c1-42-25-13-14-26-27(21-25)35-31(33-18-17-32-28(39)11-7-2-3-8-12-29(40)37-41)36-30(26)34-24-15-19-38(20-16-24)22-23-9-5-4-6-10-23/h4-6,9-10,13-14,21,24,41H,2-3,7-8,11-12,15-20,22H2,1H3,(H,32,39)(H,37,40)(H2,33,34,35,36) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human A549 cells using Boc-K(Ac)-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068
BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this
Ligand-Target Pair | |
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