Found 12 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50257322
(CHEMBL522338 | ethyl 4-methyl-2-(4-(methylamino)-6...)Show SMILES CCOC(=O)c1sc(Nc2nc(NC)cc(NCc3ccc(cc3)S(N)(=O)=O)n2)nc1C Show InChI InChI=1S/C19H23N7O4S2/c1-4-30-17(27)16-11(2)23-19(31-16)26-18-24-14(21-3)9-15(25-18)22-10-12-5-7-13(8-6-12)32(20,28)29/h5-9H,4,10H2,1-3H3,(H2,20,28,29)(H3,21,22,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Bioorg Med Chem Lett 19: 1935-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.060
BindingDB Entry DOI: 10.7270/Q2TM7B02 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50257323
(CHEMBL493552 | ethyl 4-methyl-2-(4-(piperazin-1-yl...)Show SMILES CCOC(=O)c1sc(Nc2nc(NCc3ccc(cc3)S(N)(=O)=O)cc(n2)N2CCNCC2)nc1C Show InChI InChI=1S/C22H28N8O4S2/c1-3-34-20(31)19-14(2)26-22(35-19)29-21-27-17(12-18(28-21)30-10-8-24-9-11-30)25-13-15-4-6-16(7-5-15)36(23,32)33/h4-7,12,24H,3,8-11,13H2,1-2H3,(H2,23,32,33)(H2,25,26,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Bioorg Med Chem Lett 19: 1935-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.060
BindingDB Entry DOI: 10.7270/Q2TM7B02 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50257381
(CHEMBL493109 | ethyl 2-(4-(3,4-dimethoxybenzylamin...)Show SMILES CCOC(=O)c1sc(Nc2nc(NCc3ccc(OC)c(OC)c3)cc(n2)N2CCNCC2)nc1C Show InChI InChI=1S/C24H31N7O4S/c1-5-35-22(32)21-15(2)27-24(36-21)30-23-28-19(13-20(29-23)31-10-8-25-9-11-31)26-14-16-6-7-17(33-3)18(12-16)34-4/h6-7,12-13,25H,5,8-11,14H2,1-4H3,(H2,26,27,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Bioorg Med Chem Lett 19: 1935-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.060
BindingDB Entry DOI: 10.7270/Q2TM7B02 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50256773
(CHEMBL474228 | ethyl 2-(4,6-bis(4-hydroxypiperidin...)Show SMILES CCOC(=O)c1sc(Nc2nc(cc(n2)N2CCC(O)CC2)N2CCC(O)CC2)nc1C Show InChI InChI=1S/C21H30N6O4S/c1-3-31-19(30)18-13(2)22-21(32-18)25-20-23-16(26-8-4-14(28)5-9-26)12-17(24-20)27-10-6-15(29)7-11-27/h12,14-15,28-29H,3-11H2,1-2H3,(H,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Bioorg Med Chem Lett 19: 1935-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.060
BindingDB Entry DOI: 10.7270/Q2TM7B02 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50257383
(CHEMBL493723 | ethyl 4-methyl-2-(4-(methyl(3,4,5-t...)Show SMILES CCOC(=O)c1sc(Nc2nc(cc(n2)N2CCN(C)CC2)N(C)Cc2cc(OC)c(OC)c(OC)c2)nc1C Show InChI InChI=1S/C27H37N7O5S/c1-8-39-25(35)24-17(2)28-27(40-24)31-26-29-21(15-22(30-26)34-11-9-32(3)10-12-34)33(4)16-18-13-19(36-5)23(38-7)20(14-18)37-6/h13-15H,8-12,16H2,1-7H3,(H,28,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Bioorg Med Chem Lett 19: 1935-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.060
BindingDB Entry DOI: 10.7270/Q2TM7B02 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50257444
(CHEMBL492548 | ethyl 2-(4-(3-carbamoylpiperazin-1-...)Show SMILES CCOC(=O)c1sc(Nc2nc(cc(n2)N2CCNC(C2)C(N)=O)N2CCC(CC2)N(C)C)nc1C Show InChI InChI=1S/C23H35N9O3S/c1-5-35-21(34)19-14(2)26-23(36-19)29-22-27-17(31-9-6-15(7-10-31)30(3)4)12-18(28-22)32-11-8-25-16(13-32)20(24)33/h12,15-16,25H,5-11,13H2,1-4H3,(H2,24,33)(H,26,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Bioorg Med Chem Lett 19: 1935-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.060
BindingDB Entry DOI: 10.7270/Q2TM7B02 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50257382
(CHEMBL493514 | ethyl 4-methyl-2-(4-(methyl(3,4,5-t...)Show SMILES CCOC(=O)c1sc(Nc2nc(cc(n2)N2CCNCC2)N(C)Cc2cc(OC)c(OC)c(OC)c2)nc1C Show InChI InChI=1S/C26H35N7O5S/c1-7-38-24(34)23-16(2)28-26(39-23)31-25-29-20(14-21(30-25)33-10-8-27-9-11-33)32(3)15-17-12-18(35-4)22(37-6)19(13-17)36-5/h12-14,27H,7-11,15H2,1-6H3,(H,28,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Bioorg Med Chem Lett 19: 1935-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.060
BindingDB Entry DOI: 10.7270/Q2TM7B02 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50257442
(CHEMBL524002 | ethyl 2-(4-(4-(dimethylamino)piperi...)Show SMILES CCOC(=O)c1sc(Nc2nc(cc(n2)N2CCN(C)CC2)N2CCC(CC2)N(C)C)nc1C Show InChI InChI=1S/C23H36N8O2S/c1-6-33-21(32)20-16(2)24-23(34-20)27-22-25-18(30-9-7-17(8-10-30)28(3)4)15-19(26-22)31-13-11-29(5)12-14-31/h15,17H,6-14H2,1-5H3,(H,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Bioorg Med Chem Lett 19: 1935-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.060
BindingDB Entry DOI: 10.7270/Q2TM7B02 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50256771
(CHEMBL474226 | ethyl 2-(4-(4-(dimethylamino)piperi...)Show SMILES CCOC(=O)c1sc(Nc2nc(cc(n2)N2CCCC(CO)C2)N2CCC(CC2)N(C)C)nc1C Show InChI InChI=1S/C24H37N7O3S/c1-5-34-22(33)21-16(2)25-24(35-21)28-23-26-19(30-11-8-18(9-12-30)29(3)4)13-20(27-23)31-10-6-7-17(14-31)15-32/h13,17-18,32H,5-12,14-15H2,1-4H3,(H,25,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Bioorg Med Chem Lett 19: 1935-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.060
BindingDB Entry DOI: 10.7270/Q2TM7B02 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50257441
(CHEMBL493145 | ethyl 2-(4-(4-(2-(dimethylamino)eth...)Show SMILES CCOC(=O)c1sc(Nc2nc(cc(n2)N2CCN(CCN(C)C)CC2)N2CCN(C)CC2)nc1C Show InChI InChI=1S/C24H39N9O2S/c1-6-35-22(34)21-18(2)25-24(36-21)28-23-26-19(32-13-8-30(5)9-14-32)17-20(27-23)33-15-11-31(12-16-33)10-7-29(3)4/h17H,6-16H2,1-5H3,(H,25,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Bioorg Med Chem Lett 19: 1935-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.060
BindingDB Entry DOI: 10.7270/Q2TM7B02 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50257443
(CHEMBL492547 | ethyl 2-(4-(4-(dimethylamino)piperi...)Show SMILES CCOC(=O)c1sc(Nc2nc(cc(n2)N2CCC(CC2)N(C)C)N2CCOCC2)nc1C Show InChI InChI=1S/C22H33N7O3S/c1-5-32-20(30)19-15(2)23-22(33-19)26-21-24-17(28-8-6-16(7-9-28)27(3)4)14-18(25-21)29-10-12-31-13-11-29/h14,16H,5-13H2,1-4H3,(H,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Bioorg Med Chem Lett 19: 1935-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.060
BindingDB Entry DOI: 10.7270/Q2TM7B02 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50256772
(CHEMBL474227 | ethyl 2-(4-(4-(dimethylamino)piperi...)Show SMILES CCOC(=O)c1sc(Nc2nc(cc(n2)N2CCC(CC2)N(C)C)N2CCC(O)CC2)nc1C Show InChI InChI=1S/C23H35N7O3S/c1-5-33-21(32)20-15(2)24-23(34-20)27-22-25-18(29-10-6-16(7-11-29)28(3)4)14-19(26-22)30-12-8-17(31)9-13-30/h14,16-17,31H,5-13H2,1-4H3,(H,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Bioorg Med Chem Lett 19: 1935-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.060
BindingDB Entry DOI: 10.7270/Q2TM7B02 |
More data for this
Ligand-Target Pair | |
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