Found 19 hits Enz. Inhib. hit(s) with all data for entry = 11386 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 |
|---|
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50241831
(CHEMBL4062273 | US10626113, Compound M | US1089975...)Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 0.0440 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2KH0SFD |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50241831
(CHEMBL4062273 | US10626113, Compound M | US1089975...)Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 0.0560 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2KH0SFD |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM480487
(US10626113, Compound D | US10899756, Compound D)Show SMILES CCc1cc(cc2c(NCc3ccc(OC)c(Cl)c3)c3CN(C)CCc3nc12)C#N Show InChI InChI=1S/C24H25ClN4O/c1-4-17-9-16(12-26)10-18-23(17)28-21-7-8-29(2)14-19(21)24(18)27-13-15-5-6-22(30-3)20(25)11-15/h5-6,9-11H,4,7-8,13-14H2,1-3H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2KH0SFD |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50241832
(CHEMBL4083986 | US10626113, Compound C | US1089975...)Show SMILES CCN1CCc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1)C#N Show InChI InChI=1S/C23H23ClN4O/c1-3-28-9-8-21-18(14-28)23(17-10-15(12-25)4-6-20(17)27-21)26-13-16-5-7-22(29-2)19(24)11-16/h4-7,10-11H,3,8-9,13-14H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2KH0SFD |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50242157
(CHEMBL4070894 | US10626113, Compound B | US1089975...)Show SMILES COc1ccc(CNc2c3CN(C)CCc3nc3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C22H21ClN4O/c1-27-8-7-20-17(13-27)22(16-9-14(11-24)3-5-19(16)26-20)25-12-15-4-6-21(28-2)18(23)10-15/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2KH0SFD |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50241834
(CHEMBL4065036 | US10626113, Compound J | US1089975...)Show SMILES CC(=O)N1CCc2nc3ccc(cc3c(NCc3ccc(F)c(Cl)c3)c2C1)C#N Show InChI InChI=1S/C22H18ClFN4O/c1-13(29)28-7-6-21-17(12-28)22(16-8-14(10-25)3-5-20(16)27-21)26-11-15-2-4-19(24)18(23)9-15/h2-5,8-9H,6-7,11-12H2,1H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2KH0SFD |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50241837
(CHEMBL4102913 | US10626113, Compound G | US1089975...)Show InChI InChI=1S/C21H19ClN4O/c1-27-20-5-3-14(9-17(20)22)11-25-21-15-8-13(10-23)2-4-18(15)26-19-6-7-24-12-16(19)21/h2-5,8-9,24H,6-7,11-12H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.55 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2KH0SFD |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM480489
(US10626113, Compound F | US10899756, Compound F)Show InChI InChI=1S/C20H19BrClN3O/c1-26-19-5-2-12(8-16(19)22)10-24-20-14-9-13(21)3-4-17(14)25-18-6-7-23-11-15(18)20/h2-5,8-9,23H,6-7,10-11H2,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2KH0SFD |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM480504
(US10626113, Compound O | US10899756, Compound W)Show SMILES COc1ccc(CCNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl Show InChI InChI=1S/C24H23ClN4O2/c1-15(30)29-10-8-22-19(14-29)24(18-11-17(13-26)3-5-21(18)28-22)27-9-7-16-4-6-23(31-2)20(25)12-16/h3-6,11-12H,7-10,14H2,1-2H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 10.6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2KH0SFD |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50242154
(CHEMBL4099788 | US10626113, Compound A | US1089975...)Show SMILES COc1ccc(CNc2c3CN(C)CCc3nc3ccc(Br)cc23)cc1Cl Show InChI InChI=1S/C21H21BrClN3O/c1-26-8-7-19-16(12-26)21(15-10-14(22)4-5-18(15)25-19)24-11-13-3-6-20(27-2)17(23)9-13/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 21.6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2KH0SFD |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM480503
(US10626113, Compound N | US10899756, Compound V)Show SMILES COc1ccc(cc1Cl)C(C)Nc1c2CN(CCc2nc2ccc(cc12)C#N)C(C)=O Show InChI InChI=1S/C24H23ClN4O2/c1-14(17-5-7-23(31-3)20(25)11-17)27-24-18-10-16(12-26)4-6-21(18)28-22-8-9-29(15(2)30)13-19(22)24/h4-7,10-11,14H,8-9,13H2,1-3H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 26.9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2KH0SFD |
More data for this
Ligand-Target Pair | |
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha
(Homo sapiens (Human)) | BDBM480487
(US10626113, Compound D | US10899756, Compound D)Show SMILES CCc1cc(cc2c(NCc3ccc(OC)c(Cl)c3)c3CN(C)CCc3nc12)C#N Show InChI InChI=1S/C24H25ClN4O/c1-4-17-9-16(12-26)10-18-23(17)28-21-7-8-29(2)14-19(21)24(18)27-13-15-5-6-22(30-3)20(25)11-15/h5-6,9-11H,4,7-8,13-14H2,1-3H3,(H,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2KH0SFD |
More data for this
Ligand-Target Pair | |
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha
(Homo sapiens (Human)) | BDBM50241831
(CHEMBL4062273 | US10626113, Compound M | US1089975...)Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 30.1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2KH0SFD |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM480488
(US10626113, Compound E | US10899756, Compound E)Show SMILES COc1ccc(CNc2c3c(NCCNC3=O)nc3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C21H18ClN5O2/c1-29-17-5-3-13(9-15(17)22)11-26-19-14-8-12(10-23)2-4-16(14)27-20-18(19)21(28)25-7-6-24-20/h2-5,8-9H,6-7,11H2,1H3,(H,25,28)(H2,24,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 43.8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2KH0SFD |
More data for this
Ligand-Target Pair | |
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha
(Homo sapiens (Human)) | BDBM50241837
(CHEMBL4102913 | US10626113, Compound G | US1089975...)Show InChI InChI=1S/C21H19ClN4O/c1-27-20-5-3-14(9-17(20)22)11-25-21-15-8-13(10-23)2-4-18(15)26-19-6-7-24-12-16(19)21/h2-5,8-9,24H,6-7,11-12H2,1H3,(H,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2KH0SFD |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50241833
(CHEMBL4073617 | US10626113, Compound I | US1089975...)Show SMILES CC(=O)N1CCc2nc3ccc(cc3c(NCc3ccc(OC(F)(F)F)c(Cl)c3)c2C1)C#N Show InChI InChI=1S/C23H18ClF3N4O2/c1-13(32)31-7-6-20-17(12-31)22(16-8-14(10-28)2-4-19(16)30-20)29-11-15-3-5-21(18(24)9-15)33-23(25,26)27/h2-5,8-9H,6-7,11-12H2,1H3,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 337 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2KH0SFD |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM480501
(US10626113, Compound L | US10899756, Compound T)Show SMILES COc1cc(Nc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)ccc1Cl Show InChI InChI=1S/C22H19ClN4O2/c1-13(28)27-8-7-20-17(12-27)22(16-9-14(11-24)3-6-19(16)26-20)25-15-4-5-18(23)21(10-15)29-2/h3-6,9-10H,7-8,12H2,1-2H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 425 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2KH0SFD |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM480500
(US10626113, Compound K | US10899756, Compound S)Show SMILES COc1ccc(Nc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl Show InChI InChI=1S/C22H19ClN4O2/c1-13(28)27-8-7-20-17(12-27)22(16-9-14(11-24)3-5-19(16)26-20)25-15-4-6-21(29-2)18(23)10-15/h3-6,9-10H,7-8,12H2,1-2H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 593 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2KH0SFD |
More data for this
Ligand-Target Pair | |
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha
(Homo sapiens (Human)) | BDBM480488
(US10626113, Compound E | US10899756, Compound E)Show SMILES COc1ccc(CNc2c3c(NCCNC3=O)nc3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C21H18ClN5O2/c1-29-17-5-3-13(9-15(17)22)11-26-19-14-8-12(10-23)2-4-16(14)27-20-18(19)21(28)25-7-6-24-20/h2-5,8-9H,6-7,11H2,1H3,(H,25,28)(H2,24,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 6.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2KH0SFD |
More data for this
Ligand-Target Pair | |
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