Found 13 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 4
(Homo sapiens (Human)) | BDBM50161830
(CHEMBL3793439)Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1cnco1)c1ccccc1 |r| Show InChI InChI=1S/C19H15FN2O3/c20-19(18(23)22-24)16(13-4-2-1-3-5-13)17(19)14-8-6-12(7-9-14)15-10-21-11-25-15/h1-11,16-17,24H,(H,22,23)/t16-,17-,19+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 catalytic domain (unknown origin) using Boc-Lys(TFA)-AMC as substrate |
ACS Med Chem Lett 7: 34-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00302
BindingDB Entry DOI: 10.7270/Q22Z17DJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50160874
(CHEMBL3794485 | US9505736, (1S,2S,3S)-2-(4-(5- (Di...)Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1ncc(OC(F)F)cn1)c1ccccc1 |r| Show InChI InChI=1S/C21H16F3N3O3/c22-20(23)30-15-10-25-18(26-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)21(17,24)19(28)27-29/h1-11,16-17,20,29H,(H,27,28)/t16-,17-,21+/m1/s1 | PDB
MMDB
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 |
BioFocus
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 catalytic domain (unknown origin) using Boc-Lys(TFA)-AMC as substrate |
ACS Med Chem Lett 7: 34-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00302
BindingDB Entry DOI: 10.7270/Q22Z17DJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50161829
(CHEMBL3794140)Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1ncc(Cl)cn1)c1ccccc1 |r| Show InChI InChI=1S/C20H15ClFN3O2/c21-15-10-23-18(24-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)20(17,22)19(26)25-27/h1-11,16-17,27H,(H,25,26)/t16-,17-,20+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 catalytic domain (unknown origin) using Boc-Lys(TFA)-AMC as substrate |
ACS Med Chem Lett 7: 34-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00302
BindingDB Entry DOI: 10.7270/Q22Z17DJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50161831
(CHEMBL3793932 | US9505736, (1S,2S,3S)-1-Fluoro-N-h...)Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1nccc(n1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C21H15F4N3O2/c22-20(19(29)28-30)16(12-4-2-1-3-5-12)17(20)13-6-8-14(9-7-13)18-26-11-10-15(27-18)21(23,24)25/h1-11,16-17,30H,(H,28,29)/t16-,17-,20+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 catalytic domain (unknown origin) using Boc-Lys(TFA)-AMC as substrate |
ACS Med Chem Lett 7: 34-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00302
BindingDB Entry DOI: 10.7270/Q22Z17DJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50160875
(CHEMBL3794334 | US9765054, Compound 50d)Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1nccc(n1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C21H16F3N3O2/c22-21(23,24)15-10-11-25-19(26-15)14-8-6-13(7-9-14)17-16(18(17)20(28)27-29)12-4-2-1-3-5-12/h1-11,16-18,29H,(H,27,28)/t16-,17-,18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 catalytic domain (unknown origin) using Boc-Lys(TFA)-AMC as substrate |
ACS Med Chem Lett 7: 34-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00302
BindingDB Entry DOI: 10.7270/Q22Z17DJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50160873
(CHEMBL3794544 | US9765054, Compound 50j)Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1ncc(Cl)cn1)c1ccccc1 |r| Show InChI InChI=1S/C20H16ClN3O2/c21-15-10-22-19(23-11-15)14-8-6-13(7-9-14)17-16(18(17)20(25)24-26)12-4-2-1-3-5-12/h1-11,16-18,26H,(H,24,25)/t16-,17-,18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 catalytic domain (unknown origin) using Boc-Lys(TFA)-AMC as substrate |
ACS Med Chem Lett 7: 34-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00302
BindingDB Entry DOI: 10.7270/Q22Z17DJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50160874
(CHEMBL3794485 | US9505736, (1S,2S,3S)-2-(4-(5- (Di...)Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1ncc(OC(F)F)cn1)c1ccccc1 |r| Show InChI InChI=1S/C21H16F3N3O3/c22-20(23)30-15-10-25-18(26-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)21(17,24)19(28)27-29/h1-11,16-17,20,29H,(H,27,28)/t16-,17-,21+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 in human Jurkat E6-1 cells using Lys-TFA as substrate |
ACS Med Chem Lett 7: 34-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00302
BindingDB Entry DOI: 10.7270/Q22Z17DJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50161829
(CHEMBL3794140)Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1ncc(Cl)cn1)c1ccccc1 |r| Show InChI InChI=1S/C20H15ClFN3O2/c21-15-10-23-18(24-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)20(17,22)19(26)25-27/h1-11,16-17,27H,(H,25,26)/t16-,17-,20+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 in human Jurkat E6-1 cells using Lys-TFA as substrate |
ACS Med Chem Lett 7: 34-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00302
BindingDB Entry DOI: 10.7270/Q22Z17DJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50160873
(CHEMBL3794544 | US9765054, Compound 50j)Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1ncc(Cl)cn1)c1ccccc1 |r| Show InChI InChI=1S/C20H16ClN3O2/c21-15-10-22-19(23-11-15)14-8-6-13(7-9-14)17-16(18(17)20(25)24-26)12-4-2-1-3-5-12/h1-11,16-18,26H,(H,24,25)/t16-,17-,18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 in human Jurkat E6-1 cells using Lys-TFA as substrate |
ACS Med Chem Lett 7: 34-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00302
BindingDB Entry DOI: 10.7270/Q22Z17DJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50155843
(CHEMBL3793034 | US9765054, Compound 50K)Show SMILES Cc1cnc(nc1)-c1ccc(cc1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C21H19N3O2/c1-13-11-22-20(23-12-13)16-9-7-15(8-10-16)18-17(19(18)21(25)24-26)14-5-3-2-4-6-14/h2-12,17-19,26H,1H3,(H,24,25)/t17-,18-,19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 in human Jurkat E6-1 cells using Lys-TFA as substrate |
ACS Med Chem Lett 7: 34-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00302
BindingDB Entry DOI: 10.7270/Q22Z17DJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50155804
(CHEMBL3793569)Show SMILES Cc1cnc(nc1)-c1ccc(cc1)[C@@H]1[C@@H](c2ccccc2)[C@@]1(C)C(=O)NO |r| Show InChI InChI=1S/C22H21N3O2/c1-14-12-23-20(24-13-14)17-10-8-16(9-11-17)19-18(15-6-4-3-5-7-15)22(19,2)21(26)25-27/h3-13,18-19,27H,1-2H3,(H,25,26)/t18-,19-,22-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 in human Jurkat E6-1 cells using Lys-TFA as substrate |
ACS Med Chem Lett 7: 34-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00302
BindingDB Entry DOI: 10.7270/Q22Z17DJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50155803
(CHEMBL3793455 | US9505736, (1S,2S,3S)-1-Chloro-N-h...)Show SMILES Cc1cnc(nc1)-c1ccc(cc1)[C@@H]1[C@@H](c2ccccc2)[C@@]1(Cl)C(=O)NO |r| Show InChI InChI=1S/C21H18ClN3O2/c1-13-11-23-19(24-12-13)16-9-7-15(8-10-16)18-17(14-5-3-2-4-6-14)21(18,22)20(26)25-27/h2-12,17-18,27H,1H3,(H,25,26)/t17-,18-,21+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 in human Jurkat E6-1 cells using Lys-TFA as substrate |
ACS Med Chem Lett 7: 34-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00302
BindingDB Entry DOI: 10.7270/Q22Z17DJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50160879
(CHEMBL3793392 | US9505736, (1S,2S,3S)-1-Fluoro-2-(...)Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1ncc(F)cn1)c1ccccc1 |r| Show InChI InChI=1S/C20H15F2N3O2/c21-15-10-23-18(24-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)20(17,22)19(26)25-27/h1-11,16-17,27H,(H,25,26)/t16-,17-,20+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description
Binding affinity to HDAC4 catalytic domain (unknown origin) by surface plasmon resonance assay |
ACS Med Chem Lett 7: 34-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00302
BindingDB Entry DOI: 10.7270/Q22Z17DJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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