BindingDB logo
myBDB logout

5 similar compounds to monomer 50257323

Compile data set for download or QSAR
Wt: 477.5
BDBM50257322
Wt: 517.6
BDBM50257441
Wt: 513.6
BDBM50257381
Wt: 557.6
BDBM50257382
Wt: 571.6
BDBM50257383

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50257322,50257441,50257381,50257382,50257383   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50257383
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/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
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/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))
BDBM50257322
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/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
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/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
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/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