Found 103 hits Enz. Inhib. hit(s) with all data for entry = 50006855 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)) | BDBM50188961
(CHEMBL3622533)Show SMILES COc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2n1 Show InChI InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32) | 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 | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50503960
(CHEMBL4445101)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C26H25F2N5O6S/c1-15-19-9-16(11-22(25(19)31-14-30-15)39-8-4-3-5-24(34)32-35)17-10-21(26(38-2)29-13-17)33-40(36,37)23-7-6-18(27)12-20(23)28/h6-7,9-14,33,35H,3-5,8H2,1-2H3,(H,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2 as substrate incubated for 1 hr by kinase-glo assay |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50503958
(CHEMBL4581165)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C29H31F2N5O6S/c1-18-22-12-19(14-25(28(22)34-17-33-18)42-11-7-5-3-4-6-8-27(37)35-38)20-13-24(29(41-2)32-16-20)36-43(39,40)26-10-9-21(30)15-23(26)31/h9-10,12-17,36,38H,3-8,11H2,1-2H3,(H,35,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2 as substrate incubated for 1 hr by kinase-glo assay |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50503959
(CHEMBL4527487)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C27H27F2N5O6S/c1-16-20-10-17(12-23(26(20)32-15-31-16)40-9-5-3-4-6-25(35)33-36)18-11-22(27(39-2)30-14-18)34-41(37,38)24-8-7-19(28)13-21(24)29/h7-8,10-15,34,36H,3-6,9H2,1-2H3,(H,33,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2 as substrate incubated for 1 hr by kinase-glo assay |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50503975
(CHEMBL4435527)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C28H29F2N5O6S/c1-17-21-11-18(13-24(27(21)33-16-32-17)41-10-6-4-3-5-7-26(36)34-37)19-12-23(28(40-2)31-15-19)35-42(38,39)25-9-8-20(29)14-22(25)30/h8-9,11-16,35,37H,3-7,10H2,1-2H3,(H,34,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2 as substrate incubated for 1 hr by kinase-glo assay |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50503957
(CHEMBL4465475)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C30H33F2N5O6S/c1-19-23-13-20(15-26(29(23)35-18-34-19)43-12-8-6-4-3-5-7-9-28(38)36-39)21-14-25(30(42-2)33-17-21)37-44(40,41)27-11-10-22(31)16-24(27)32/h10-11,13-18,37,39H,3-9,12H2,1-2H3,(H,36,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2 as substrate incubated for 1 hr by kinase-glo assay |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50503953
(CHEMBL4471718)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C30H28F2N8O6S/c1-17-22-9-18(19-10-24(29(45-3)33-13-19)39-47(43,44)26-6-5-21(31)12-23(26)32)11-25(27(22)37-16-36-17)46-8-4-7-40(2)30-34-14-20(15-35-30)28(41)38-42/h5-6,9-16,39,42H,4,7-8H2,1-3H3,(H,38,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2 as substrate incubated for 1 hr by kinase-glo assay |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503949
(CHEMBL4561458)Show SMILES COc1ccc(cn1)-c1cc(OCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C22H26N4O4/c1-15-18-11-17(16-8-9-21(29-2)23-13-16)12-19(22(18)25-14-24-15)30-10-6-4-3-5-7-20(27)26-28/h8-9,11-14,28H,3-7,10H2,1-2H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503962
(CHEMBL4456391)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C23H29N5O6S/c1-15-18-10-16(17-11-19(28-35(3,31)32)23(33-2)24-13-17)12-20(22(18)26-14-25-15)34-9-7-5-4-6-8-21(29)27-30/h10-14,28,30H,4-9H2,1-3H3,(H,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503947
(CHEMBL4462577)Show SMILES COc1ccc(cn1)-c1cc(OCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C23H23N7O4/c1-14-18-8-16(15-4-5-20(33-3)24-10-15)9-19(21(18)28-13-27-14)34-7-6-30(2)23-25-11-17(12-26-23)22(31)29-32/h4-5,8-13,32H,6-7H2,1-3H3,(H,29,31) | 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/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503956
(CHEMBL4474676)Show SMILES COc1ncc(cc1F)-c1cc(OCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C23H22FN7O4/c1-13-17-6-14(15-7-18(24)22(34-3)25-9-15)8-19(20(17)29-12-28-13)35-5-4-31(2)23-26-10-16(11-27-23)21(32)30-33/h6-12,33H,4-5H2,1-3H3,(H,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50503973
(CHEMBL4588404)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C25H23F2N5O6S/c1-14-18-8-15(10-21(24(18)30-13-29-14)38-7-3-4-23(33)31-34)16-9-20(25(37-2)28-12-16)32-39(35,36)22-6-5-17(26)11-19(22)27/h5-6,8-13,32,34H,3-4,7H2,1-2H3,(H,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2 as substrate incubated for 1 hr by kinase-glo assay |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503943
(CHEMBL4536105)Show SMILES COc1ncc(cc1F)-c1cc(OCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C22H25FN4O4/c1-14-17-9-15(16-10-18(23)22(30-2)24-12-16)11-19(21(17)26-13-25-14)31-8-6-4-3-5-7-20(28)27-29/h9-13,29H,3-8H2,1-2H3,(H,27,28) | 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/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50188961
(CHEMBL3622533)Show SMILES COc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2n1 Show InChI InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32) | 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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 insect cells using Ac-peptide as substr... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50188961
(CHEMBL3622533)Show SMILES COc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2n1 Show InChI InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32) | 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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length HDAC2 expressed in baculovirus infected Sf9 insect cells using Ac-peptide as substrate preincubated for 1... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503942
(CHEMBL4521497)Show SMILES COc1ccc(cn1)-c1cc(OCCN(C(C)C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C25H27N7O4/c1-15(2)32(25-27-12-19(13-28-25)24(33)31-34)7-8-36-21-10-18(17-5-6-22(35-4)26-11-17)9-20-16(3)29-14-30-23(20)21/h5-6,9-15,34H,7-8H2,1-4H3,(H,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503954
(CHEMBL4444204)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C29H26F2N8O6S/c1-16-21-8-17(18-9-23(28(44-3)32-12-18)38-46(42,43)25-5-4-20(30)11-22(25)31)10-24(26(21)36-15-35-16)45-7-6-39(2)29-33-13-19(14-34-29)27(40)37-41/h4-5,8-15,38,41H,6-7H2,1-3H3,(H,37,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50503954
(CHEMBL4444204)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C29H26F2N8O6S/c1-16-21-8-17(18-9-23(28(44-3)32-12-18)38-46(42,43)25-5-4-20(30)11-22(25)31)10-24(26(21)36-15-35-16)45-7-6-39(2)29-33-13-19(14-34-29)27(40)37-41/h4-5,8-15,38,41H,6-7H2,1-3H3,(H,37,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2 as substrate incubated for 1 hr by kinase-glo assay |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503958
(CHEMBL4581165)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C29H31F2N5O6S/c1-18-22-12-19(14-25(28(22)34-17-33-18)42-11-7-5-3-4-6-8-27(37)35-38)20-13-24(29(41-2)32-16-20)36-43(39,40)26-10-9-21(30)15-23(26)31/h9-10,12-17,36,38H,3-8,11H2,1-2H3,(H,35,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503951
(CHEMBL4464542)Show SMILES COc1ncc(cc1F)-c1cc(OCCN(C(C)C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C25H26FN7O4/c1-14(2)33(25-28-11-18(12-29-25)23(34)32-35)5-6-37-21-9-16(7-19-15(3)30-13-31-22(19)21)17-8-20(26)24(36-4)27-10-17/h7-14,35H,5-6H2,1-4H3,(H,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503952
(CHEMBL4588397)Show SMILES CCN(CCOc1cc(cc2c(C)ncnc12)-c1ccc(OC)nc1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C24H25N7O4/c1-4-31(24-26-12-18(13-27-24)23(32)30-33)7-8-35-20-10-17(16-5-6-21(34-3)25-11-16)9-19-15(2)28-14-29-22(19)20/h5-6,9-14,33H,4,7-8H2,1-3H3,(H,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503961
(CHEMBL4535819)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OCCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C24H31N5O6S/c1-16-19-11-17(18-12-20(29-36(3,32)33)24(34-2)25-14-18)13-21(23(19)27-15-26-16)35-10-8-6-4-5-7-9-22(30)28-31/h11-15,29,31H,4-10H2,1-3H3,(H,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503963
(CHEMBL4440596)Show SMILES COc1ncc(cc1F)-c1cc(OCCCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C24H29FN4O4/c1-16-19-11-17(18-12-20(25)24(32-2)26-14-18)13-21(23(19)28-15-27-16)33-10-8-6-4-3-5-7-9-22(30)29-31/h11-15,31H,3-10H2,1-2H3,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50503962
(CHEMBL4456391)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C23H29N5O6S/c1-15-18-10-16(17-11-19(28-35(3,31)32)23(33-2)24-13-17)12-20(22(18)26-14-25-15)34-9-7-5-4-6-8-21(29)27-30/h10-14,28,30H,4-9H2,1-3H3,(H,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2 as substrate incubated for 1 hr by kinase-glo assay |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503955
(CHEMBL4457009)Show SMILES COc1ncc(cc1F)-c1cc(OCCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C24H24FN7O4/c1-14-18-7-15(16-8-19(25)23(35-3)26-10-16)9-20(21(18)30-13-29-14)36-6-4-5-32(2)24-27-11-17(12-28-24)22(33)31-34/h7-13,34H,4-6H2,1-3H3,(H,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503946
(CHEMBL4524198)Show SMILES COc1ccc(cn1)-c1cc(OCCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C24H25N7O4/c1-15-19-9-17(16-5-6-21(34-3)25-11-16)10-20(22(19)29-14-28-15)35-8-4-7-31(2)24-26-12-18(13-27-24)23(32)30-33/h5-6,9-14,33H,4,7-8H2,1-3H3,(H,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503969
(CHEMBL4462934)Show SMILES CCN(CCOc1cc(cc2c(C)ncnc12)-c1cnc(OC)c(F)c1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C24H24FN7O4/c1-4-32(24-27-11-17(12-28-24)22(33)31-34)5-6-36-20-9-15(7-18-14(2)29-13-30-21(18)20)16-8-19(25)23(35-3)26-10-16/h7-13,34H,4-6H2,1-3H3,(H,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503944
(CHEMBL4448002)Show SMILES COc1ccc(cn1)-c1cc(OCCCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C24H30N4O4/c1-17-20-13-19(18-10-11-23(31-2)25-15-18)14-21(24(20)27-16-26-17)32-12-8-6-4-3-5-7-9-22(29)28-30/h10-11,13-16,30H,3-9,12H2,1-2H3,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50503943
(CHEMBL4536105)Show SMILES COc1ncc(cc1F)-c1cc(OCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C22H25FN4O4/c1-14-17-9-15(16-10-18(23)22(30-2)24-12-16)11-19(21(17)26-13-25-14)31-8-6-4-3-5-7-20(28)27-29/h9-13,29H,3-8H2,1-2H3,(H,27,28) | 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/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length HDAC2 expressed in baculovirus infected Sf9 insect cells using Ac-peptide as substrate preincubated for 1... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503970
(CHEMBL4568675)Show SMILES COc1ncc(cc1F)-c1cc(OCCCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C25H26FN7O4/c1-15-19-8-16(17-9-20(26)24(36-3)27-11-17)10-21(22(19)31-14-30-15)37-7-5-4-6-33(2)25-28-12-18(13-29-25)23(34)32-35/h8-14,35H,4-7H2,1-3H3,(H,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503976
(CHEMBL4437190)Show SMILES COc1ncc(cc1F)-c1cc(OCCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C23H27FN4O4/c1-15-18-10-16(17-11-19(24)23(31-2)25-13-17)12-20(22(18)27-14-26-15)32-9-7-5-3-4-6-8-21(29)28-30/h10-14,30H,3-9H2,1-2H3,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50503947
(CHEMBL4462577)Show SMILES COc1ccc(cn1)-c1cc(OCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C23H23N7O4/c1-14-18-8-16(15-4-5-20(33-3)24-10-15)9-19(21(18)28-13-27-14)34-7-6-30(2)23-25-11-17(12-26-23)22(31)29-32/h4-5,8-13,32H,6-7H2,1-3H3,(H,29,31) | 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/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length HDAC2 expressed in baculovirus infected Sf9 insect cells using Ac-peptide as substrate preincubated for 1... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503965
(CHEMBL4442688)Show SMILES COc1ccc(cn1)-c1cc(OCCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C23H28N4O4/c1-16-19-12-18(17-9-10-22(30-2)24-14-17)13-20(23(19)26-15-25-16)31-11-7-5-3-4-6-8-21(28)27-29/h9-10,12-15,29H,3-8,11H2,1-2H3,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50503961
(CHEMBL4535819)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OCCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C24H31N5O6S/c1-16-19-11-17(18-12-20(29-36(3,32)33)24(34-2)25-14-18)13-21(23(19)27-15-26-16)35-10-8-6-4-5-7-9-22(30)28-31/h11-15,29,31H,4-10H2,1-3H3,(H,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2 as substrate incubated for 1 hr by kinase-glo assay |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50503948
(CHEMBL4458497)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OCCCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C25H33N5O6S/c1-17-20-12-18(19-13-21(30-37(3,33)34)25(35-2)26-15-19)14-22(24(20)28-16-27-17)36-11-9-7-5-4-6-8-10-23(31)29-32/h12-16,30,32H,4-11H2,1-3H3,(H,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2 as substrate incubated for 1 hr by kinase-glo assay |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503968
(CHEMBL4452585)Show SMILES COc1ncc(cc1F)-c1cc(OCCCNc2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C23H22FN7O4/c1-13-17-6-14(15-7-18(24)22(34-2)26-9-15)8-19(20(17)30-12-29-13)35-5-3-4-25-23-27-10-16(11-28-23)21(32)31-33/h6-12,33H,3-5H2,1-2H3,(H,31,32)(H,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503948
(CHEMBL4458497)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OCCCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C25H33N5O6S/c1-17-20-12-18(19-13-21(30-37(3,33)34)25(35-2)26-15-19)14-22(24(20)28-16-27-17)36-11-9-7-5-4-6-8-10-23(31)29-32/h12-16,30,32H,4-11H2,1-3H3,(H,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50503971
(CHEMBL4434897)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C22H27N5O6S/c1-14-17-9-15(16-10-18(27-34(3,30)31)22(32-2)23-12-16)11-19(21(17)25-13-24-14)33-8-6-4-5-7-20(28)26-29/h9-13,27,29H,4-8H2,1-3H3,(H,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2 as substrate incubated for 1 hr by kinase-glo assay |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503945
(CHEMBL4459720)Show SMILES COc1ncc(cc1F)-c1cc(OCCNc2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C22H20FN7O4/c1-12-16-5-13(14-6-17(23)21(33-2)25-8-14)7-18(19(16)29-11-28-12)34-4-3-24-22-26-9-15(10-27-22)20(31)30-32/h5-11,32H,3-4H2,1-2H3,(H,30,31)(H,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503975
(CHEMBL4435527)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C28H29F2N5O6S/c1-17-21-11-18(13-24(27(21)33-16-32-17)41-10-6-4-3-5-7-26(36)34-37)19-12-23(28(40-2)31-15-19)35-42(38,39)25-9-8-20(29)14-22(25)30/h8-9,11-16,35,37H,3-7,10H2,1-2H3,(H,34,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50503943
(CHEMBL4536105)Show SMILES COc1ncc(cc1F)-c1cc(OCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C22H25FN4O4/c1-14-17-9-15(16-10-18(23)22(30-2)24-12-16)11-19(21(17)26-13-25-14)31-8-6-4-3-5-7-20(28)27-29/h9-13,29H,3-8H2,1-2H3,(H,27,28) | 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/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50188961
(CHEMBL3622533)Show SMILES COc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2n1 Show InChI InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50503943
(CHEMBL4536105)Show SMILES COc1ncc(cc1F)-c1cc(OCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C22H25FN4O4/c1-14-17-9-15(16-10-18(23)22(30-2)24-12-16)11-19(21(17)26-13-25-14)31-8-6-4-3-5-7-20(28)27-29/h9-13,29H,3-8H2,1-2H3,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged PIK3CD/PIK3R1 expressed in baculovirus expression system using PIP2 as substrate incubated for 1 hr by ADP... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503957
(CHEMBL4465475)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C30H33F2N5O6S/c1-19-23-13-20(15-26(29(23)35-18-34-19)43-12-8-6-4-3-5-7-9-28(38)36-39)21-14-25(30(42-2)33-17-21)37-44(40,41)27-11-10-22(31)16-24(27)32/h10-11,13-18,37,39H,3-9,12H2,1-2H3,(H,36,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503950
(CHEMBL4474627)Show SMILES COc1ncc(cc1F)-c1cc(OCCCCNc2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C24H24FN7O4/c1-14-18-7-15(16-8-19(25)23(35-2)27-10-16)9-20(21(18)31-13-30-14)36-6-4-3-5-26-24-28-11-17(12-29-24)22(33)32-34/h7-13,34H,3-6H2,1-2H3,(H,32,33)(H,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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 recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50503953
(CHEMBL4471718)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C30H28F2N8O6S/c1-17-22-9-18(19-10-24(29(45-3)33-13-19)39-47(43,44)26-6-5-21(31)12-23(26)32)11-25(27(22)37-16-36-17)46-8-4-7-40(2)30-34-14-20(15-35-30)28(41)38-42/h5-6,9-16,39,42H,4,7-8H2,1-3H3,(H,38,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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 recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as su... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50503947
(CHEMBL4462577)Show SMILES COc1ccc(cn1)-c1cc(OCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C23H23N7O4/c1-14-18-8-16(15-4-5-20(33-3)24-10-15)9-19(21(18)28-13-27-14)34-7-6-30(2)23-25-11-17(12-26-23)22(31)29-32/h4-5,8-13,32H,6-7H2,1-3H3,(H,29,31) | 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/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 insect cells using Ac-peptide as substr... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50188961
(CHEMBL3622533)Show SMILES COc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2n1 Show InChI InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PIK3CB using PIP2 as substrate incubated for 1 hr by ADP-glo assay |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50503947
(CHEMBL4462577)Show SMILES COc1ccc(cn1)-c1cc(OCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C23H23N7O4/c1-14-18-8-16(15-4-5-20(33-3)24-10-15)9-19(21(18)28-13-27-14)34-7-6-30(2)23-25-11-17(12-26-23)22(31)29-32/h4-5,8-13,32H,6-7H2,1-3H3,(H,29,31) | 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/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50503943
(CHEMBL4536105)Show SMILES COc1ncc(cc1F)-c1cc(OCCCCCCC(=O)NO)c2ncnc(C)c2c1 Show InChI InChI=1S/C22H25FN4O4/c1-14-17-9-15(16-10-18(23)22(30-2)24-12-16)11-19(21(17)26-13-25-14)31-8-6-4-3-5-7-20(28)27-29/h9-13,29H,3-8H2,1-2H3,(H,27,28) | 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/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 insect cells using Ac-peptide as substr... |
J Med Chem 62: 6992-7014 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00390
BindingDB Entry DOI: 10.7270/Q2RF5Z80 |
More data for this
Ligand-Target Pair | |
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