BindingDB logo
myBDB logout

53 similar compounds to monomer 14390

Wt: 461.5
BDBM46825
Purchase
Wt: 527.5
BDBM54115
Purchase
Wt: 477.5
BDBM92338
Wt: 609.6
BDBM50144213
Wt: 568.5
BDBM50144215
Wt: 624.6
BDBM50144220
Wt: 530.6
BDBM50169634
Wt: 596.6
BDBM50241300
Wt: 610.6
BDBM50241301
Wt: 581.6
BDBM50241302
Wt: 595.6
BDBM50241303
Wt: 638.7
BDBM50241305
Wt: 609.6
BDBM50241306
Wt: 623.7
BDBM50241307
Wt: 582.6
BDBM50241308
Displayed 1 to 15 (of 53 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 46825,54115,92338,50144213,50144215,50144220,50169634,50241300,50241301,50241302,50241303,50241305,50241306,50241307,50241308   
Target
(Institution)
LigandTarget
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
Multidrug resistance-associated protein 5


(Homo sapiens)
BDBM54115
PNG
(5-[4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C24H25N5O7S/c1-4-6-17-20-21(29(3)27-17)23(31)26-22(25-20)16-12-14(8-10-19(16)36-5-2)37(34,35)28-13-7-9-18(30)15(11-13)24(32)33/h7-12,28,30H,4-6H2,1-3H3,(H,32,33)(H,25,26,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
65.3n/an/an/an/an/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Inhibition of ABCC5 in human erythrocytes assessed as inhibition of ATP-mediated [3H]cGMP uptake in inside-out vesicles after 60 mins by liquid scint...


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50241302
PNG
(CHEMBL245315 | ethyl hydrogen 1-(3-(1-methyl-7-oxo...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CC1)P(O)(=O)OCC
Show InChI InChI=1S/C25H36N5O7PS/c1-5-8-20-22-23(29(4)28-20)25(31)27-24(26-22)19-16-18(9-10-21(19)36-15-6-2)39(34,35)30-13-11-17(12-14-30)38(32,33)37-7-3/h9-10,16-17H,5-8,11-15H2,1-4H3,(H,32,33)(H,26,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3.31E+12n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM54115
PNG
(5-[4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C24H25N5O7S/c1-4-6-17-20-21(29(3)27-17)23(31)26-22(25-20)16-12-14(8-10-19(16)36-5-2)37(34,35)28-13-7-9-18(30)15(11-13)24(32)33/h7-12,28,30H,4-6H2,1-3H3,(H,32,33)(H,25,26,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PCBioAssay
n/an/a 5.53E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM92338
PNG
(Wyq16#)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NC(=O)OC(C)C
Show InChI InChI=1S/C21H27N5O6S/c1-6-8-15-17-18(26(5)24-15)20(27)23-19(22-17)14-11-13(9-10-16(14)31-7-2)33(29,30)25-21(28)32-12(3)4/h9-12H,6-8H2,1-5H3,(H,25,28)(H,22,23,27)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 230n/an/an/an/a7.524



University of North Carolina



Assay Description
Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM92338
PNG
(Wyq16#)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NC(=O)OC(C)C
Show InChI InChI=1S/C21H27N5O6S/c1-6-8-15-17-18(26(5)24-15)20(27)23-19(22-17)14-11-13(9-10-16(14)31-7-2)33(29,30)25-21(28)32-12(3)4/h9-12H,6-8H2,1-5H3,(H,25,28)(H,22,23,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3n/an/an/an/a7.524



University of North Carolina



Assay Description
Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50241303
PNG
(CHEMBL245317 | ethyl hydrogen (1-(3-(1-methyl-7-ox...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(O)(=O)OCC)CC1
Show InChI InChI=1S/C26H38N5O7PS/c1-5-8-21-23-24(30(4)29-21)26(32)28-25(27-23)20-16-19(9-10-22(20)37-15-6-2)40(35,36)31-13-11-18(12-14-31)17-39(33,34)38-7-3/h9-10,16,18H,5-8,11-15,17H2,1-4H3,(H,33,34)(H,27,28,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.170n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 of rabbit platelets


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50241302
PNG
(CHEMBL245315 | ethyl hydrogen 1-(3-(1-methyl-7-oxo...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CC1)P(O)(=O)OCC
Show InChI InChI=1S/C25H36N5O7PS/c1-5-8-20-22-23(29(4)28-20)25(31)27-24(26-22)19-16-18(9-10-21(19)36-15-6-2)39(34,35)30-13-11-17(12-14-30)38(32,33)37-7-3/h9-10,16-17H,5-8,11-15H2,1-4H3,(H,32,33)(H,26,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 of rabbit platelets


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50144213
PNG
((2-{1-[3-(1-Methyl-7-oxo-3-propyl-6,7-dihydro-1H-p...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CCP(O)(=O)OCC)CC1
Show InChI InChI=1S/C27H40N5O7PS/c1-5-8-22-24-25(31(4)30-22)27(33)29-26(28-24)21-18-20(9-10-23(21)38-16-6-2)41(36,37)32-14-11-19(12-15-32)13-17-40(34,35)39-7-3/h9-10,18-19H,5-8,11-17H2,1-4H3,(H,34,35)(H,28,29,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.290n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 of rabbit platelets


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50241307
PNG
(CHEMBL394040 | diethyl (1-(3-(1-methyl-7-oxo-3-pro...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(=O)(OCC)OCC)CC1
Show InChI InChI=1S/C28H42N5O7PS/c1-6-10-23-25-26(32(5)31-23)28(34)30-27(29-25)22-18-21(11-12-24(22)38-17-7-2)42(36,37)33-15-13-20(14-16-33)19-41(35,39-8-3)40-9-4/h11-12,18,20H,6-10,13-17,19H2,1-5H3,(H,29,30,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.340n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 of rabbit platelets


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50144220
PNG
(CHEMBL63686 | diethyl (4-(3-(1-methyl-7-oxo-3-prop...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CP(=O)(OCC)OCC)CC1
Show InChI InChI=1S/C27H41N6O7PS/c1-6-10-22-24-25(31(5)30-22)27(34)29-26(28-24)21-18-20(11-12-23(21)38-17-7-2)42(36,37)33-15-13-32(14-16-33)19-41(35,39-8-3)40-9-4/h11-12,18H,6-10,13-17,19H2,1-5H3,(H,28,29,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.580n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 of rabbit platelets


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50241308
PNG
((2-{4-[3-(1-Methyl-7-oxo-3-propyl-6,7-dihydro-1H-p...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CCP(O)(O)=O)CC1
Show InChI InChI=1S/C24H35N6O7PS/c1-4-6-19-21-22(28(3)27-19)24(31)26-23(25-21)18-16-17(7-8-20(18)37-14-5-2)39(35,36)30-11-9-29(10-12-30)13-15-38(32,33)34/h7-8,16H,4-6,9-15H2,1-3H3,(H,25,26,31)(H2,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.940n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 of rabbit platelets


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50241305
PNG
((2-{4-[3-(1-Methyl-7-oxo-3-propyl-6,7-dihydro-1H-p...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CCP(=O)(OCC)OCC)CC1
Show InChI InChI=1S/C28H43N6O7PS/c1-6-10-23-25-26(32(5)31-23)28(35)30-27(29-25)22-20-21(11-12-24(22)39-18-7-2)43(37,38)34-15-13-33(14-16-34)17-19-42(36,40-8-3)41-9-4/h11-12,20H,6-10,13-19H2,1-5H3,(H,29,30,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 of rabbit platelets


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50241306
PNG
(CHEMBL245522 | diethyl 1-(3-(1-methyl-7-oxo-3-prop...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CC1)P(=O)(OCC)OCC
Show InChI InChI=1S/C27H40N5O7PS/c1-6-10-22-24-25(31(5)30-22)27(33)29-26(28-24)21-18-20(11-12-23(21)37-17-7-2)41(35,36)32-15-13-19(14-16-32)40(34,38-8-3)39-9-4/h11-12,18-19H,6-10,13-17H2,1-5H3,(H,28,29,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.410n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 of rabbit platelets


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50241300
PNG
(CHEMBL245517 | ethyl hydrogen (4-(3-(1-methyl-7-ox...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CP(O)(=O)OCC)CC1
Show InChI InChI=1S/C25H37N6O7PS/c1-5-8-20-22-23(29(4)28-20)25(32)27-24(26-22)19-16-18(9-10-21(19)37-15-6-2)40(35,36)31-13-11-30(12-14-31)17-39(33,34)38-7-3/h9-10,16H,5-8,11-15,17H2,1-4H3,(H,33,34)(H,26,27,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.180n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 of rabbit platelets


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50241301
PNG
((2-{4-[3-(1-Methyl-7-oxo-3-propyl-6,7-dihydro-1H-p...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CCP(O)(=O)OCC)CC1
Show InChI InChI=1S/C26H39N6O7PS/c1-5-8-21-23-24(30(4)29-21)26(33)28-25(27-23)20-18-19(9-10-22(20)38-16-6-2)41(36,37)32-13-11-31(12-14-32)15-17-40(34,35)39-7-3/h9-10,18H,5-8,11-17H2,1-4H3,(H,34,35)(H,27,28,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.280n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 of rabbit platelets


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50144215
PNG
(CHEMBL63548 | {4-[3-(1-Methyl-7-oxo-3-propyl-6,7-d...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CP(O)(O)=O)CC1
Show InChI InChI=1S/C23H33N6O7PS/c1-4-6-18-20-21(27(3)26-18)23(30)25-22(24-20)17-14-16(7-8-19(17)36-13-5-2)38(34,35)29-11-9-28(10-12-29)15-37(31,32)33/h7-8,14H,4-6,9-13,15H2,1-3H3,(H,24,25,30)(H2,31,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.280n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 of rabbit platelets


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50169634
PNG
(3-Cyclopentyl-5-{2-ethoxy-5-[4-(2-hydroxy-ethyl)-p...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nn(C)c2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C25H34N6O5S/c1-3-36-20-9-8-18(37(34,35)31-12-10-30(11-13-31)14-15-32)16-19(20)24-26-22-21(17-6-4-5-7-17)28-29(2)23(22)25(33)27-24/h8-9,16-17,32H,3-7,10-15H2,1-2H3,(H,26,27,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169634
PNG
(3-Cyclopentyl-5-{2-ethoxy-5-[4-(2-hydroxy-ethyl)-p...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nn(C)c2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C25H34N6O5S/c1-3-36-20-9-8-18(37(34,35)31-12-10-30(11-13-31)14-15-32)16-19(20)24-26-22-21(17-6-4-5-7-17)28-29(2)23(22)25(33)27-24/h8-9,16-17,32H,3-7,10-15H2,1-2H3,(H,26,27,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50241305
PNG
((2-{4-[3-(1-Methyl-7-oxo-3-propyl-6,7-dihydro-1H-p...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CCP(=O)(OCC)OCC)CC1
Show InChI InChI=1S/C28H43N6O7PS/c1-6-10-23-25-26(32(5)31-23)28(35)30-27(29-25)22-20-21(11-12-24(22)39-18-7-2)43(37,38)34-15-13-33(14-16-34)17-19-42(36,40-8-3)41-9-4/h11-12,20H,6-10,13-19H2,1-5H3,(H,29,30,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 9.55E+11n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50241300
PNG
(CHEMBL245517 | ethyl hydrogen (4-(3-(1-methyl-7-ox...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CP(O)(=O)OCC)CC1
Show InChI InChI=1S/C25H37N6O7PS/c1-5-8-20-22-23(29(4)28-20)25(32)27-24(26-22)19-16-18(9-10-21(19)37-15-6-2)40(35,36)31-13-11-30(12-14-31)17-39(33,34)38-7-3/h9-10,16H,5-8,11-15,17H2,1-4H3,(H,33,34)(H,26,27,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.50E+12n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50241308
PNG
((2-{4-[3-(1-Methyl-7-oxo-3-propyl-6,7-dihydro-1H-p...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CCP(O)(O)=O)CC1
Show InChI InChI=1S/C24H35N6O7PS/c1-4-6-19-21-22(28(3)27-19)24(31)26-23(25-21)18-16-17(7-8-20(18)37-14-5-2)39(35,36)30-11-9-29(10-12-30)13-15-38(32,33)34/h7-8,16H,4-6,9-15H2,1-3H3,(H,25,26,31)(H2,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.07E+12n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50241303
PNG
(CHEMBL245317 | ethyl hydrogen (1-(3-(1-methyl-7-ox...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(O)(=O)OCC)CC1
Show InChI InChI=1S/C26H38N5O7PS/c1-5-8-21-23-24(30(4)29-21)26(32)28-25(27-23)20-16-19(9-10-22(20)37-15-6-2)40(35,36)31-13-11-18(12-14-31)17-39(33,34)38-7-3/h9-10,16,18H,5-8,11-15,17H2,1-4H3,(H,33,34)(H,27,28,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.89E+12n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50241301
PNG
((2-{4-[3-(1-Methyl-7-oxo-3-propyl-6,7-dihydro-1H-p...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CCP(O)(=O)OCC)CC1
Show InChI InChI=1S/C26H39N6O7PS/c1-5-8-21-23-24(30(4)29-21)26(33)28-25(27-23)20-18-19(9-10-22(20)38-16-6-2)41(36,37)32-13-11-31(12-14-32)15-17-40(34,35)39-7-3/h9-10,18H,5-8,11-17H2,1-4H3,(H,34,35)(H,27,28,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3.55E+12n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50241306
PNG
(CHEMBL245522 | diethyl 1-(3-(1-methyl-7-oxo-3-prop...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CC1)P(=O)(OCC)OCC
Show InChI InChI=1S/C27H40N5O7PS/c1-6-10-22-24-25(31(5)30-22)27(33)29-26(28-24)21-18-20(11-12-23(21)37-17-7-2)41(35,36)32-15-13-19(14-16-32)40(34,38-8-3)39-9-4/h11-12,18-19H,6-10,13-17H2,1-5H3,(H,28,29,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.45E+12n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50241307
PNG
(CHEMBL394040 | diethyl (1-(3-(1-methyl-7-oxo-3-pro...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(=O)(OCC)OCC)CC1
Show InChI InChI=1S/C28H42N5O7PS/c1-6-10-23-25-26(32(5)31-23)28(34)30-27(29-25)22-18-21(11-12-24(22)38-17-7-2)42(36,37)33-15-13-20(14-16-33)19-41(35,39-8-3)40-9-4/h11-12,18,20H,6-10,13-17,19H2,1-5H3,(H,29,30,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.95E+12n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46825
PNG
(MLS000080225 | N-tert-butyl-3-(3-tert-butyl-1-meth...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nn(C)c2c(=O)[nH]1)C(C)(C)C)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C22H31N5O4S/c1-9-31-15-11-10-13(32(29,30)26-22(5,6)7)12-14(15)19-23-16-17(20(28)24-19)27(8)25-18(16)21(2,3)4/h10-12,26H,9H2,1-8H3,(H,23,24,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/an/an/a 781n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
transient receptor potential cation channel, subfamily N, member 1


(Danio rerio)
BDBM46825
PNG
(MLS000080225 | N-tert-butyl-3-(3-tert-butyl-1-meth...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nn(C)c2c(=O)[nH]1)C(C)(C)C)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C22H31N5O4S/c1-9-31-15-11-10-13(32(29,30)26-22(5,6)7)12-14(15)19-23-16-17(20(28)24-19)27(8)25-18(16)21(2,3)4/h10-12,26H,9H2,1-8H3,(H,23,24,28)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/an/an/a 2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair