Found 317 hits with Last Name = 'zou' and Initial = 'x' 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525064
(CHEMBL4455533)Show SMILES CCCOc1ccc(NC(=O)[C@@H]2CCCN2C(C)=O)cc1-c1nc(CC)c(CC)c(=O)[nH]1 |r| Show InChI InChI=1S/C24H32N4O4/c1-5-13-32-21-11-10-16(25-24(31)20-9-8-12-28(20)15(4)29)14-18(21)22-26-19(7-3)17(6-2)23(30)27-22/h10-11,14,20H,5-9,12-13H2,1-4H3,(H,25,31)(H,26,27,30)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123
BindingDB Entry DOI: 10.7270/Q2T72MWB |
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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525060
(CHEMBL4462192)Show SMILES CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C24H35N5O3/c1-5-14-32-21-9-8-17(25-22(30)16-29-12-10-28(4)11-13-29)15-19(21)23-26-20(7-3)18(6-2)24(31)27-23/h8-9,15H,5-7,10-14,16H2,1-4H3,(H,25,30)(H,26,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123
BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525071
(CHEMBL4474634)Show SMILES CCCOc1ccc(NC(=O)C2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C24H34N4O3/c1-5-14-31-21-9-8-17(25-23(29)16-10-12-28(4)13-11-16)15-19(21)22-26-20(7-3)18(6-2)24(30)27-22/h8-9,15-16H,5-7,10-14H2,1-4H3,(H,25,29)(H,26,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123
BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525067
(CHEMBL4444940)Show SMILES CCCOc1ccc(NC(=O)C(N)=O)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C19H24N4O4/c1-4-9-27-15-8-7-11(21-19(26)16(20)24)10-13(15)17-22-14(6-3)12(5-2)18(25)23-17/h7-8,10H,4-6,9H2,1-3H3,(H2,20,24)(H,21,26)(H,22,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123
BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50436850
(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116794
BindingDB Entry DOI: 10.7270/Q2514399 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525069
(CHEMBL4467125)Show SMILES CCCOc1ccc(NC(=O)CCCNC(C)=O)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C23H32N4O4/c1-5-13-31-20-11-10-16(25-21(29)9-8-12-24-15(4)28)14-18(20)22-26-19(7-3)17(6-2)23(30)27-22/h10-11,14H,5-9,12-13H2,1-4H3,(H,24,28)(H,25,29)(H,26,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123
BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525061
(CHEMBL4468620)Show SMILES CCCOc1ccc(cc1-c1nc(CC)c(CC)c(=O)[nH]1)S(=O)(=O)N(CCO)CCN1CCOCC1 Show InChI InChI=1S/C25H38N4O6S/c1-4-15-35-23-8-7-19(18-21(23)24-26-22(6-3)20(5-2)25(31)27-24)36(32,33)29(11-14-30)10-9-28-12-16-34-17-13-28/h7-8,18,30H,4-6,9-17H2,1-3H3,(H,26,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123
BindingDB Entry DOI: 10.7270/Q2T72MWB |
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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525058
(CHEMBL4559488)Show SMILES CCCOc1ccc(NC(=O)CC)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C20H27N3O3/c1-5-11-26-17-10-9-13(21-18(24)8-4)12-15(17)19-22-16(7-3)14(6-2)20(25)23-19/h9-10,12H,5-8,11H2,1-4H3,(H,21,24)(H,22,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123
BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50436850
(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116794
BindingDB Entry DOI: 10.7270/Q2514399 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525068
(CHEMBL4483406)Show SMILES CCCOc1ccc(NS(C)(=O)=O)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C18H25N3O4S/c1-5-10-25-16-9-8-12(21-26(4,23)24)11-14(16)17-19-15(7-3)13(6-2)18(22)20-17/h8-9,11,21H,5-7,10H2,1-4H3,(H,19,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123
BindingDB Entry DOI: 10.7270/Q2T72MWB |
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 | |
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)) | 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 | |
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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525065
(CHEMBL4572238)Show SMILES CCCOc1ccc(NC(=O)CN2CCCCC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C24H34N4O3/c1-4-14-31-21-11-10-17(25-22(29)16-28-12-8-7-9-13-28)15-19(21)23-26-20(6-3)18(5-2)24(30)27-23/h10-11,15H,4-9,12-14,16H2,1-3H3,(H,25,29)(H,26,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123
BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525066
(CHEMBL4455861)Show SMILES CCCOc1ccc(NC(N)=O)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C18H24N4O3/c1-4-9-25-15-8-7-11(20-18(19)24)10-13(15)16-21-14(6-3)12(5-2)17(23)22-16/h7-8,10H,4-6,9H2,1-3H3,(H3,19,20,24)(H,21,22,23) | PDB
MMDB
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 |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123
BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50399909
(CHEMBL2180945)Show SMILES CCCOc1ccc(cc1-c1nc(CC)c(CC)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H32N4O4S/c1-5-14-30-20-9-8-16(31(28,29)26-12-10-25(4)11-13-26)15-18(20)21-23-19(7-3)17(6-2)22(27)24-21/h8-9,15H,5-7,10-14H2,1-4H3,(H,23,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123
BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525059
(CHEMBL4435186)Show SMILES CCCOc1ccc(NC(=O)C(=O)N2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C24H33N5O4/c1-5-14-33-20-9-8-16(25-23(31)24(32)29-12-10-28(4)11-13-29)15-18(20)21-26-19(7-3)17(6-2)22(30)27-21/h8-9,15H,5-7,10-14H2,1-4H3,(H,25,31)(H,26,27,30) | PDB
MMDB
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 |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123
BindingDB Entry DOI: 10.7270/Q2T72MWB |
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 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525062
(CHEMBL4440789)Show SMILES CCCOc1ccc(cc1-c1nc(CC)c(CC)c(=O)[nH]1)S(=O)(=O)NCCC(O)=O Show InChI InChI=1S/C20H27N3O6S/c1-4-11-29-17-8-7-13(30(27,28)21-10-9-18(24)25)12-15(17)19-22-16(6-3)14(5-2)20(26)23-19/h7-8,12,21H,4-6,9-11H2,1-3H3,(H,24,25)(H,22,23,26) | PDB
MMDB
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 |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123
BindingDB Entry DOI: 10.7270/Q2T72MWB |
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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525072
(CHEMBL4582221)Show SMILES CCCOc1ccc(NC(=O)N2CCCC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C22H30N4O3/c1-4-13-29-19-10-9-15(23-22(28)26-11-7-8-12-26)14-17(19)20-24-18(6-3)16(5-2)21(27)25-20/h9-10,14H,4-8,11-13H2,1-3H3,(H,23,28)(H,24,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123
BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525070
(CHEMBL4539785)Show SMILES CCCOc1ccc(cc1-c1nc(CC)c(CC)c(=O)[nH]1)S(=O)(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C22H29N3O6S/c1-4-12-31-19-10-9-14(32(29,30)25-11-7-8-18(25)22(27)28)13-16(19)20-23-17(6-3)15(5-2)21(26)24-20/h9-10,13,18H,4-8,11-12H2,1-3H3,(H,27,28)(H,23,24,26)/t18-/m0/s1 | PDB
MMDB
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 |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123
BindingDB Entry DOI: 10.7270/Q2T72MWB |
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 | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50600551
(CHEMBL5179806)Show SMILES CC(C)Oc1cc(C2CCN(CC2)C(=O)SCC(=S)N2CCS(=O)(=O)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 | PDB
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
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116794
BindingDB Entry DOI: 10.7270/Q2514399 |
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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123
BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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 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)) | 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 | |
Protoporphyrinogen oxidase
(Zea mays) | BDBM50487098
(CHEBI:8939 | FLUMIOXAZIN)Show SMILES Fc1cc2OCC(=O)N(CC#C)c2cc1N1C(=O)C2=C(CCCC2)C1=O |t:20| Show InChI InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2 | KEGG
UniProtKB/TrEMBL
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of protoporphyrinogen oxidase in Zea mays (maize) seedlings leaves etioplasts using protoporphyrinogen IX incubated for 30 min by fluoresc... |
J Agric Food Chem 56: 9535-42 (2008)
Article DOI: 10.1021/jf801774k
BindingDB Entry DOI: 10.7270/Q2HD7ZHC |
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 | |
Search and Browse
