Found 12 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 1
(Homo sapiens (Human)) | BDBM50334368
(CHEMBL1643325 | N-(2-aminophenyl)-3-(4-(2-(4'-cycl...)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)C(NCCN1CCCCC1)C(=O)Nc1ccc(cc1)C1CC1 Show InChI InChI=1S/C33H39N5O2/c34-29-6-2-3-7-30(29)37-31(39)19-10-24-8-11-27(12-9-24)32(35-20-23-38-21-4-1-5-22-38)33(40)36-28-17-15-26(16-18-28)25-13-14-25/h2-3,6-12,15-19,25,32,35H,1,4-5,13-14,20-23,34H2,(H,36,40)(H,37,39)/b19-10+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center China Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 |
Bioorg Med Chem Lett 21: 110-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.063
BindingDB Entry DOI: 10.7270/Q2S182S8 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50334366
(CHEMBL1643308 | N-(2-aminophenyl)-3-(4-(1-(2-morph...)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)C(NCCN1CCOCC1)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H32F3N5O3/c31-30(32,33)23-10-12-24(13-11-23)36-29(40)28(35-15-16-38-17-19-41-20-18-38)22-8-5-21(6-9-22)7-14-27(39)37-26-4-2-1-3-25(26)34/h1-14,28,35H,15-20,34H2,(H,36,40)(H,37,39)/b14-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center China Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 |
Bioorg Med Chem Lett 21: 110-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.063
BindingDB Entry DOI: 10.7270/Q2S182S8 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50334367
(CHEMBL1643315 | N-(2-aminophenyl)-3-(4-(2-oxo-1-(2...)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)C(NCCC1CCOCC1)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C31H33F3N4O3/c32-31(33,34)24-10-12-25(13-11-24)37-30(40)29(36-18-15-22-16-19-41-20-17-22)23-8-5-21(6-9-23)7-14-28(39)38-27-4-2-1-3-26(27)35/h1-14,22,29,36H,15-20,35H2,(H,37,40)(H,38,39)/b14-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center China Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 |
Bioorg Med Chem Lett 21: 110-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.063
BindingDB Entry DOI: 10.7270/Q2S182S8 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50334368
(CHEMBL1643325 | N-(2-aminophenyl)-3-(4-(2-(4'-cycl...)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)C(NCCN1CCCCC1)C(=O)Nc1ccc(cc1)C1CC1 Show InChI InChI=1S/C33H39N5O2/c34-29-6-2-3-7-30(29)37-31(39)19-10-24-8-11-27(12-9-24)32(35-20-23-38-21-4-1-5-22-38)33(40)36-28-17-15-26(16-18-28)25-13-14-25/h2-3,6-12,15-19,25,32,35H,1,4-5,13-14,20-23,34H2,(H,36,40)(H,37,39)/b19-10+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center China Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 |
Bioorg Med Chem Lett 21: 110-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.063
BindingDB Entry DOI: 10.7270/Q2S182S8 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50334366
(CHEMBL1643308 | N-(2-aminophenyl)-3-(4-(1-(2-morph...)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)C(NCCN1CCOCC1)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H32F3N5O3/c31-30(32,33)23-10-12-24(13-11-23)36-29(40)28(35-15-16-38-17-19-41-20-18-38)22-8-5-21(6-9-22)7-14-27(39)37-26-4-2-1-3-25(26)34/h1-14,28,35H,15-20,34H2,(H,36,40)(H,37,39)/b14-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center China Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 |
Bioorg Med Chem Lett 21: 110-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.063
BindingDB Entry DOI: 10.7270/Q2S182S8 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50334368
(CHEMBL1643325 | N-(2-aminophenyl)-3-(4-(2-(4'-cycl...)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)C(NCCN1CCCCC1)C(=O)Nc1ccc(cc1)C1CC1 Show InChI InChI=1S/C33H39N5O2/c34-29-6-2-3-7-30(29)37-31(39)19-10-24-8-11-27(12-9-24)32(35-20-23-38-21-4-1-5-22-38)33(40)36-28-17-15-26(16-18-28)25-13-14-25/h2-3,6-12,15-19,25,32,35H,1,4-5,13-14,20-23,34H2,(H,36,40)(H,37,39)/b19-10+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center China Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC3 |
Bioorg Med Chem Lett 21: 110-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.063
BindingDB Entry DOI: 10.7270/Q2S182S8 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50334366
(CHEMBL1643308 | N-(2-aminophenyl)-3-(4-(1-(2-morph...)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)C(NCCN1CCOCC1)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H32F3N5O3/c31-30(32,33)23-10-12-24(13-11-23)36-29(40)28(35-15-16-38-17-19-41-20-18-38)22-8-5-21(6-9-22)7-14-27(39)37-26-4-2-1-3-25(26)34/h1-14,28,35H,15-20,34H2,(H,36,40)(H,37,39)/b14-7+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center China Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC3 |
Bioorg Med Chem Lett 21: 110-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.063
BindingDB Entry DOI: 10.7270/Q2S182S8 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19410
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26) | 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 | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center China Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 |
Bioorg Med Chem Lett 21: 110-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.063
BindingDB Entry DOI: 10.7270/Q2S182S8 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50334367
(CHEMBL1643315 | N-(2-aminophenyl)-3-(4-(2-oxo-1-(2...)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)C(NCCC1CCOCC1)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C31H33F3N4O3/c32-31(33,34)24-10-12-25(13-11-24)37-30(40)29(36-18-15-22-16-19-41-20-17-22)23-8-5-21(6-9-23)7-14-28(39)38-27-4-2-1-3-26(27)35/h1-14,22,29,36H,15-20,35H2,(H,37,40)(H,38,39)/b14-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center China Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 |
Bioorg Med Chem Lett 21: 110-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.063
BindingDB Entry DOI: 10.7270/Q2S182S8 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50334367
(CHEMBL1643315 | N-(2-aminophenyl)-3-(4-(2-oxo-1-(2...)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)C(NCCC1CCOCC1)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C31H33F3N4O3/c32-31(33,34)24-10-12-25(13-11-24)37-30(40)29(36-18-15-22-16-19-41-20-17-22)23-8-5-21(6-9-23)7-14-28(39)38-27-4-2-1-3-26(27)35/h1-14,22,29,36H,15-20,35H2,(H,37,40)(H,38,39)/b14-7+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center China Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC3 |
Bioorg Med Chem Lett 21: 110-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.063
BindingDB Entry DOI: 10.7270/Q2S182S8 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM19410
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26) | PDB
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 | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center China Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC3 |
Bioorg Med Chem Lett 21: 110-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.063
BindingDB Entry DOI: 10.7270/Q2S182S8 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19410
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26) | 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 | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center China Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 |
Bioorg Med Chem Lett 21: 110-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.063
BindingDB Entry DOI: 10.7270/Q2S182S8 |
More data for this
Ligand-Target Pair | |
Search and Browse
