BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'fabrizi' and Initial = 'g'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50320022
PNG
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N\C(=C/c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H35N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,19,25,27-28,38H,7,12,17-18,20,33H2,(H2,34,39)(H,35,40)(H,36,41)/b26-19-/t25-,27-,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.40n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.60n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50320023
PNG
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N\C(=C/c1ccccc1)C(=O)N\C(=C/c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H33N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,19-20,25,28,38H,7,12,17-18,33H2,(H2,34,39)(H,35,40)(H,36,41)/b26-19-,27-20-/t25-,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
130n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50320024
PNG
((S)-N-(3-((S)-1-amino-1-oxo-3-phenylpropan-2-ylami...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N\C(=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H35N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,20,25-26,28,38H,7,12,17-19,33H2,(H2,34,39)(H,35,40)(H,36,41)/b27-20-/t25-,26-,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50320023
PNG
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N\C(=C/c1ccccc1)C(=O)N\C(=C/c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H33N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,19-20,25,28,38H,7,12,17-18,33H2,(H2,34,39)(H,35,40)(H,36,41)/b26-19-,27-20-/t25-,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.30E+3n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in HEK293 cells


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50320022
PNG
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N\C(=C/c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H35N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,19,25,27-28,38H,7,12,17-18,20,33H2,(H2,34,39)(H,35,40)(H,36,41)/b26-19-/t25-,27-,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in HEK293 cells


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50005711
PNG
(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
PDB
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50506775
PNG
(CHEMBL4593437)
Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O3S/c26-20(25-28)9-5-2-6-14-29-22-23-19(15-21(27)24-22)18-12-10-17(11-13-18)16-7-3-1-4-8-16/h1,3-4,7-8,10-13,15,28H,2,5-6,9,14H2,(H,25,26)(H,23,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50005711
PNG
(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/an/a 10n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50506777
PNG
(CHEMBL4476057)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H19N3O3S/c23-17(22-25)7-3-4-10-26-19-20-16(12-18(24)21-19)15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11-12,25H,3-4,7,10H2,(H,22,23)(H,20,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50506780
PNG
(CHEMBL4550522)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)Cc2cccc3ccccc23)cn1
Show InChI InChI=1S/C20H17N3O3/c24-19(23-26)11-10-16-8-9-17(13-21-16)22-20(25)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11,13,26H,12H2,(H,22,25)(H,23,24)/b11-10+
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/an/a 15n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50506778
PNG
(CHEMBL4469596)
Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H21N3O3S/c24-18(23-26)8-2-1-5-11-27-20-21-17(13-19(25)22-20)16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12-13,26H,1-2,5,8,11H2,(H,23,24)(H,21,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50320022
PNG
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N\C(=C/c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H35N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,19,25,27-28,38H,7,12,17-18,20,33H2,(H2,34,39)(H,35,40)(H,36,41)/b26-19-/t25-,27-,28-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50506779
PNG
(CHEMBL4521590)
Show SMILES ONC(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cn1
Show InChI InChI=1S/C18H15N3O3/c22-17(20-14-8-9-16(19-11-14)18(23)21-24)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,24H,10H2,(H,20,22)(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50506781
PNG
(CHEMBL4435005)
Show SMILES ONC(=O)c1ccc(NC(=O)Cc2ccccc2)cn1
Show InChI InChI=1S/C14H13N3O3/c18-13(8-10-4-2-1-3-5-10)16-11-6-7-12(15-9-11)14(19)17-20/h1-7,9,20H,8H2,(H,16,18)(H,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50506775
PNG
(CHEMBL4593437)
Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O3S/c26-20(25-28)9-5-2-6-14-29-22-23-19(15-21(27)24-22)18-12-10-17(11-13-18)16-7-3-1-4-8-16/h1,3-4,7-8,10-13,15,28H,2,5-6,9,14H2,(H,25,26)(H,23,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50506780
PNG
(CHEMBL4550522)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)Cc2cccc3ccccc23)cn1
Show InChI InChI=1S/C20H17N3O3/c24-19(23-26)11-10-16-8-9-17(13-21-16)22-20(25)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11,13,26H,12H2,(H,22,25)(H,23,24)/b11-10+
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/an/a 100n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50320024
PNG
((S)-N-(3-((S)-1-amino-1-oxo-3-phenylpropan-2-ylami...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N\C(=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H35N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,20,25-26,28,38H,7,12,17-19,33H2,(H2,34,39)(H,35,40)(H,36,41)/b27-20-/t25-,26-,28-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50506781
PNG
(CHEMBL4435005)
Show SMILES ONC(=O)c1ccc(NC(=O)Cc2ccccc2)cn1
Show InChI InChI=1S/C14H13N3O3/c18-13(8-10-4-2-1-3-5-10)16-11-6-7-12(15-9-11)14(19)17-20/h1-7,9,20H,8H2,(H,16,18)(H,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50506779
PNG
(CHEMBL4521590)
Show SMILES ONC(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cn1
Show InChI InChI=1S/C18H15N3O3/c22-17(20-14-8-9-16(19-11-14)18(23)21-24)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,24H,10H2,(H,20,22)(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269 | US10722597, C...)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50320023
PNG
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N\C(=C/c1ccccc1)C(=O)N\C(=C/c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H33N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,19-20,25,28,38H,7,12,17-18,33H2,(H2,34,39)(H,35,40)(H,36,41)/b26-19-,27-20-/t25-,28-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50320022
PNG
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N\C(=C/c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H35N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,19,25,27-28,38H,7,12,17-18,20,33H2,(H2,34,39)(H,35,40)(H,36,41)/b26-19-/t25-,27-,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked contraction


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 510n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked contraction


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50506778
PNG
(CHEMBL4469596)
Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H21N3O3S/c24-18(23-26)8-2-1-5-11-27-20-21-17(13-19(25)22-20)16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12-13,26H,1-2,5,8,11H2,(H,23,24)(H,21,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50320023
PNG
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N\C(=C/c1ccccc1)C(=O)N\C(=C/c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H33N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,19-20,25,28,38H,7,12,17-18,33H2,(H2,34,39)(H,35,40)(H,36,41)/b26-19-,27-20-/t25-,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked contraction


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50506777
PNG
(CHEMBL4476057)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H19N3O3S/c23-17(22-25)7-3-4-10-26-19-20-16(12-18(24)21-19)15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11-12,25H,3-4,7,10H2,(H,22,23)(H,20,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50320024
PNG
((S)-N-(3-((S)-1-amino-1-oxo-3-phenylpropan-2-ylami...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N\C(=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H35N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,20,25-26,28,38H,7,12,17-19,33H2,(H2,34,39)(H,35,40)(H,36,41)/b27-20-/t25-,26-,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked contraction


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50506780
PNG
(CHEMBL4550522)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)Cc2cccc3ccccc23)cn1
Show InChI InChI=1S/C20H17N3O3/c24-19(23-26)11-10-16-8-9-17(13-21-16)22-20(25)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11,13,26H,12H2,(H,22,25)(H,23,24)/b11-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50005711
PNG
(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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50506781
PNG
(CHEMBL4435005)
Show SMILES ONC(=O)c1ccc(NC(=O)Cc2ccccc2)cn1
Show InChI InChI=1S/C14H13N3O3/c18-13(8-10-4-2-1-3-5-10)16-11-6-7-12(15-9-11)14(19)17-20/h1-7,9,20H,8H2,(H,16,18)(H,17,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50233217
PNG
(CHEMBL4090942)
Show SMILES COc1cccc(c1)C(=O)c1c([nH]c2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C23H17NO3/c1-27-17-11-7-10-16(14-17)22(25)20-21(15-8-3-2-4-9-15)24-19-13-6-5-12-18(19)23(20)26/h2-14H,1H3,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.38E+4n/an/an/an/an/an/a



Sapienza University

Curated by ChEMBL


Assay Description
Inhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assay


J Med Chem 60: 1469-1477 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01135
BindingDB Entry DOI: 10.7270/Q25X2C51
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50233218
PNG
(CHEMBL4063037)
Show SMILES Brc1ccc2[nH]c(-c3ccccc3)c(C(=O)c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C22H14BrNO2/c23-16-11-12-18-17(13-16)22(26)19(21(25)15-9-5-2-6-10-15)20(24-18)14-7-3-1-4-8-14/h1-13H,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Sapienza University

Curated by ChEMBL


Assay Description
Inhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assay


J Med Chem 60: 1469-1477 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01135
BindingDB Entry DOI: 10.7270/Q25X2C51
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50506778
PNG
(CHEMBL4469596)
Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H21N3O3S/c24-18(23-26)8-2-1-5-11-27-20-21-17(13-19(25)22-20)16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12-13,26H,1-2,5,8,11H2,(H,23,24)(H,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50506779
PNG
(CHEMBL4521590)
Show SMILES ONC(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cn1
Show InChI InChI=1S/C18H15N3O3/c22-17(20-14-8-9-16(19-11-14)18(23)21-24)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,24H,10H2,(H,20,22)(H,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50506777
PNG
(CHEMBL4476057)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H19N3O3S/c23-17(22-25)7-3-4-10-26-19-20-16(12-18(24)21-19)15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11-12,25H,3-4,7,10H2,(H,22,23)(H,20,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50506775
PNG
(CHEMBL4593437)
Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O3S/c26-20(25-28)9-5-2-6-14-29-22-23-19(15-21(27)24-22)18-12-10-17(11-13-18)16-7-3-1-4-8-16/h1,3-4,7-8,10-13,15,28H,2,5-6,9,14H2,(H,25,26)(H,23,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A


(Homo sapiens (Human))
BDBM50506774
PNG
(CHEMBL4470149)
Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc(NCc3ccc(F)cc3)nc3ccccc23)cc1
Show InChI InChI=1S/C29H32FN5O/c1-36-25-12-8-21(9-13-25)14-17-35-18-15-24(16-19-35)32-28-26-4-2-3-5-27(26)33-29(34-28)31-20-22-6-10-23(30)11-7-22/h2-13,24H,14-20H2,1H3,(H2,31,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.80E+3n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate me...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50506774
PNG
(CHEMBL4470149)
Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc(NCc3ccc(F)cc3)nc3ccccc23)cc1
Show InChI InChI=1S/C29H32FN5O/c1-36-25-12-8-21(9-13-25)14-17-35-18-15-24(16-19-35)32-28-26-4-2-3-5-27(26)33-29(34-28)31-20-22-6-10-23(30)11-7-22/h2-13,24H,14-20H2,1H3,(H2,31,32,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.09E+4n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-fused G9a (786 to 1210 residues) expressed in Escherichia coli using biotinylated H3 (1 to 21 residues...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50506776
PNG
(CHEMBL4442279)
Show SMILES C(N1CCC(CC1)Nc1nc(nc2ccccc12)N1CCN(CC1)c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C34H36N6/c1-2-10-30(11-3-1)39-20-22-40(23-21-39)34-36-32-13-7-6-12-31(32)33(37-34)35-29-16-18-38(19-17-29)25-26-14-15-27-8-4-5-9-28(27)24-26/h1-15,24,29H,16-23,25H2,(H,35,36,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT1 using biotinylated DNA duplex as substrate measured after 2 hrs in presence of Adomet/[methyl-3H]Adomet by topc...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50506774
PNG
(CHEMBL4470149)
Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc(NCc3ccc(F)cc3)nc3ccccc23)cc1
Show InChI InChI=1S/C29H32FN5O/c1-36-25-12-8-21(9-13-25)14-17-35-18-15-24(16-19-35)32-28-26-4-2-3-5-27(26)33-29(34-28)31-20-22-6-10-23(30)11-7-22/h2-13,24H,14-20H2,1H3,(H2,31,32,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT1 using biotinylated DNA duplex as substrate measured after 2 hrs in presence of Adomet/[methyl-3H]Adomet by topc...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50506782
PNG
(CHEMBL4461581)
Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc(NCc3ccc(F)cc3)nc3cc(OC)c(OC)cc23)cc1
Show InChI InChI=1S/C31H36FN5O3/c1-38-25-10-6-21(7-11-25)12-15-37-16-13-24(14-17-37)34-30-26-18-28(39-2)29(40-3)19-27(26)35-31(36-30)33-20-22-4-8-23(32)9-5-22/h4-11,18-19,24H,12-17,20H2,1-3H3,(H2,33,34,35,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT1 using biotinylated DNA duplex as substrate measured after 2 hrs in presence of Adomet/[methyl-3H]Adomet by topc...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50506783
PNG
(CHEMBL4582042)
Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C32H38N6O2/c1-39-29-21-27-28(22-30(29)40-2)34-32(38-19-17-37(18-20-38)26-11-7-4-8-12-26)35-31(27)33-25-13-15-36(16-14-25)23-24-9-5-3-6-10-24/h3-12,21-22,25H,13-20,23H2,1-2H3,(H,33,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT1 using biotinylated DNA duplex as substrate measured after 2 hrs in presence of Adomet/[methyl-3H]Adomet by topc...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50506784
PNG
(CHEMBL4527662)
Show SMILES COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2cc1OCc1ccccc1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C38H42N6O2/c1-45-35-25-33-34(26-36(35)46-28-30-13-7-3-8-14-30)40-38(44-23-21-43(22-24-44)32-15-9-4-10-16-32)41-37(33)39-31-17-19-42(20-18-31)27-29-11-5-2-6-12-29/h2-16,25-26,31H,17-24,27-28H2,1H3,(H,39,40,41)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT1 using biotinylated DNA duplex as substrate measured after 2 hrs in presence of Adomet/[methyl-3H]Adomet by topc...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50506785
PNG
(CHEMBL4537137)
Show SMILES COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2cc1O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C31H36N6O2/c1-39-29-20-26-27(21-28(29)38)33-31(37-18-16-36(17-19-37)25-10-6-3-7-11-25)34-30(26)32-24-12-14-35(15-13-24)22-23-8-4-2-5-9-23/h2-11,20-21,24,38H,12-19,22H2,1H3,(H,32,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT1 using biotinylated DNA duplex as substrate measured after 2 hrs in presence of Adomet/[methyl-3H]Adomet by topc...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50506786
PNG
(CHEMBL4469152)
Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2c1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C31H36N6O/c1-38-27-12-13-28-29(22-27)33-31(37-20-18-36(19-21-37)26-10-6-3-7-11-26)34-30(28)32-25-14-16-35(17-15-25)23-24-8-4-2-5-9-24/h2-13,22,25H,14-21,23H2,1H3,(H,32,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT1 using biotinylated DNA duplex as substrate measured after 2 hrs in presence of Adomet/[methyl-3H]Adomet by topc...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A


(Homo sapiens (Human))
BDBM50506787
PNG
(CHEMBL4558658)
Show SMILES COc1cc2nc(NCc3ccc(F)cc3)nc(NC3CCN(CC3)C(=O)OC(C)(C)C)c2cc1OC
Show InChI InChI=1S/C27H34FN5O4/c1-27(2,3)37-26(34)33-12-10-19(11-13-33)30-24-20-14-22(35-4)23(36-5)15-21(20)31-25(32-24)29-16-17-6-8-18(28)9-7-17/h6-9,14-15,19H,10-13,16H2,1-5H3,(H2,29,30,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8.70E+3n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate me...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A


(Homo sapiens (Human))
BDBM50506788
PNG
(CHEMBL4526979)
Show SMILES C(Cc1ccccc1)N1CCC(CC1)Nc1nc(nc2ccccc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C31H36N6/c1-3-9-25(10-4-1)15-18-35-19-16-26(17-20-35)32-30-28-13-7-8-14-29(28)33-31(34-30)37-23-21-36(22-24-37)27-11-5-2-6-12-27/h1-14,26H,15-24H2,(H,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.40E+3n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate me...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A


(Homo sapiens (Human))
BDBM50506789
PNG
(CHEMBL4470318)
Show SMILES C(CN1CCC(CC1)Nc1nc(nc2ccccc12)N1CCN(CC1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C32H38N6/c1-3-10-26(11-4-1)12-9-19-36-20-17-27(18-21-36)33-31-29-15-7-8-16-30(29)34-32(35-31)38-24-22-37(23-25-38)28-13-5-2-6-14-28/h1-8,10-11,13-16,27H,9,12,17-25H2,(H,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.10E+3n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate me...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 65 total )  |  Next  |  Last  >>
Jump to: