Found 11 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)) | BDBM50089814
(4-(3-Chloro-4-methoxy-benzylamino)-1-(4-hydroxy-pi...)Show SMILES COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C22H22ClN5O2/c1-30-20-5-3-15(11-19(20)23)13-25-21-18-10-14(12-24)2-4-17(18)22(27-26-21)28-8-6-16(29)7-9-28/h2-5,10-11,16,29H,6-9,13H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.600 | 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 of human platelets |
J Med Chem 44: 1025-7 (2001)
BindingDB Entry DOI: 10.7270/Q2154G8J |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50098220
(4-(3-Chloro-4-methoxy-benzylamino)-1-ethyl-1H-pyra...)Show SMILES CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(cnc12)C(=O)NCc1ccncc1 Show InChI InChI=1S/C23H23ClN6O2/c1-3-30-22-17(14-29-30)21(26-12-16-4-5-20(32-2)19(24)10-16)18(13-27-22)23(31)28-11-15-6-8-25-9-7-15/h4-10,13-14H,3,11-12H2,1-2H3,(H,26,27)(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.800 | 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 of human platelets |
J Med Chem 44: 1025-7 (2001)
BindingDB Entry DOI: 10.7270/Q2154G8J |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50098226
(4-(1-Cyclohexyl-ethylamino)-1-ethyl-1H-pyrazolo[3,...)Show SMILES CCn1ncc2c(N[C@@H](C)C3CCCCC3)c3cc(ccc3nc12)C#N Show InChI InChI=1S/C21H25N5/c1-3-26-21-18(13-23-26)20(24-14(2)16-7-5-4-6-8-16)17-11-15(12-22)9-10-19(17)25-21/h9-11,13-14,16H,3-8H2,1-2H3,(H,24,25)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1 | 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 of human platelets |
J Med Chem 44: 1025-7 (2001)
BindingDB Entry DOI: 10.7270/Q2154G8J |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50098225
(4-(3-Chloro-4-methoxy-benzylamino)-1-ethyl-1H-pyra...)Show SMILES CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(cnc12)C(=O)NCCCCCO Show InChI InChI=1S/C22H28ClN5O3/c1-3-28-21-16(14-27-28)20(25-12-15-7-8-19(31-2)18(23)11-15)17(13-26-21)22(30)24-9-5-4-6-10-29/h7-8,11,13-14,29H,3-6,9-10,12H2,1-2H3,(H,24,30)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40 | 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 of human platelets |
J Med Chem 44: 1025-7 (2001)
BindingDB Entry DOI: 10.7270/Q2154G8J |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50098219
(4-(3-Chloro-4-methoxy-benzylamino)-1-ethyl-1H-pyra...)Show SMILES CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(cnc12)C(=O)NCCCN1CCCC1=O Show InChI InChI=1S/C24H29ClN6O3/c1-3-31-23-17(15-29-31)22(27-13-16-7-8-20(34-2)19(25)12-16)18(14-28-23)24(33)26-9-5-11-30-10-4-6-21(30)32/h7-8,12,14-15H,3-6,9-11,13H2,1-2H3,(H,26,33)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.60 | 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 of human platelets |
J Med Chem 44: 1025-7 (2001)
BindingDB Entry DOI: 10.7270/Q2154G8J |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
PubMed
| n/a | n/a | 1.60 | 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 of human platelets |
J Med Chem 44: 1025-7 (2001)
BindingDB Entry DOI: 10.7270/Q2154G8J |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50098222
(4-(3-Chloro-4-methoxy-benzylamino)-1-ethyl-1H-pyra...)Show SMILES CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(cnc12)C(=O)NC[C@@H]1CCCO1 Show InChI InChI=1S/C22H26ClN5O3/c1-3-28-21-16(13-27-28)20(24-10-14-6-7-19(30-2)18(23)9-14)17(12-25-21)22(29)26-11-15-5-4-8-31-15/h6-7,9,12-13,15H,3-5,8,10-11H2,1-2H3,(H,24,25)(H,26,29)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.80 | 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 of human platelets |
J Med Chem 44: 1025-7 (2001)
BindingDB Entry DOI: 10.7270/Q2154G8J |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50098223
(4-(3-Chloro-4-methoxy-benzylamino)-1-ethyl-1H-pyra...)Show SMILES CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(cnc12)C(O)=O Show InChI InChI=1S/C17H17ClN4O3/c1-3-22-16-11(9-21-22)15(12(8-20-16)17(23)24)19-7-10-4-5-14(25-2)13(18)6-10/h4-6,8-9H,3,7H2,1-2H3,(H,19,20)(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 38 | 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 of human platelets |
J Med Chem 44: 1025-7 (2001)
BindingDB Entry DOI: 10.7270/Q2154G8J |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50098221
(4-Butylamino-1-ethyl-1H-pyrazolo[3,4-b]pyridine-5-...)Show InChI InChI=1S/C15H22N4O2/c1-4-7-8-16-13-11-10-18-19(5-2)14(11)17-9-12(13)15(20)21-6-3/h9-10H,4-8H2,1-3H3,(H,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 180 | 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 of human platelets |
J Med Chem 44: 1025-7 (2001)
BindingDB Entry DOI: 10.7270/Q2154G8J |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50098220
(4-(3-Chloro-4-methoxy-benzylamino)-1-ethyl-1H-pyra...)Show SMILES CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(cnc12)C(=O)NCc1ccncc1 Show InChI InChI=1S/C23H23ClN6O2/c1-3-30-22-17(14-29-30)21(26-12-16-4-5-20(32-2)19(24)10-16)18(13-27-22)23(31)28-11-15-6-8-25-9-7-15/h4-10,13-14H,3,11-12H2,1-2H3,(H,26,27)(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Relaxant effect on rabbit corpus cavernosal tissue strips |
J Med Chem 44: 1025-7 (2001)
BindingDB Entry DOI: 10.7270/Q2154G8J |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
PubMed
| n/a | n/a | n/a | n/a | 42 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Relaxant effect on rabbit corpus cavernosal tissue strips |
J Med Chem 44: 1025-7 (2001)
BindingDB Entry DOI: 10.7270/Q2154G8J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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