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 |
|---|
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50058062
(CHEMBL3323128)Show SMILES COc1ccc(cc1OCCCCOc1ccccc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:23.28,20.31,(6.34,-9.24,;6.35,-7.7,;7.68,-6.93,;9.01,-7.7,;10.35,-6.93,;10.35,-5.38,;9.01,-4.62,;7.68,-5.39,;6.35,-4.62,;6.35,-3.08,;5.01,-2.31,;5.01,-.77,;3.68,-0,;2.35,-.77,;1.01,-0,;1.02,1.54,;-.32,2.31,;-1.66,1.54,;-1.65,-.01,;-.31,-.77,;11.68,-4.61,;13.01,-5.38,;14.33,-4.61,;14.34,-3.07,;13,-2.3,;11.66,-3.07,;15.67,-2.29,;17.01,-3.06,;15.67,-.75,;11.67,-6.14,;11.66,-7.68,)| Show InChI InChI=1S/C25H29NO5/c1-29-22-10-9-20(25(18-26)13-11-19(12-14-25)24(27)28)17-23(22)31-16-6-5-15-30-21-7-3-2-4-8-21/h2-4,7-10,17,19H,5-6,11-16H2,1H3,(H,27,28)/t19-,25- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4B expressed in Sf21 cells using cAMP substrate by scintillation proximity assay |
Bioorg Med Chem Lett 24: 4084-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50058062
(CHEMBL3323128)Show SMILES COc1ccc(cc1OCCCCOc1ccccc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:23.28,20.31,(6.34,-9.24,;6.35,-7.7,;7.68,-6.93,;9.01,-7.7,;10.35,-6.93,;10.35,-5.38,;9.01,-4.62,;7.68,-5.39,;6.35,-4.62,;6.35,-3.08,;5.01,-2.31,;5.01,-.77,;3.68,-0,;2.35,-.77,;1.01,-0,;1.02,1.54,;-.32,2.31,;-1.66,1.54,;-1.65,-.01,;-.31,-.77,;11.68,-4.61,;13.01,-5.38,;14.33,-4.61,;14.34,-3.07,;13,-2.3,;11.66,-3.07,;15.67,-2.29,;17.01,-3.06,;15.67,-.75,;11.67,-6.14,;11.66,-7.68,)| Show InChI InChI=1S/C25H29NO5/c1-29-22-10-9-20(25(18-26)13-11-19(12-14-25)24(27)28)17-23(22)31-16-6-5-15-30-21-7-3-2-4-8-21/h2-4,7-10,17,19H,5-6,11-16H2,1H3,(H,27,28)/t19-,25- | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei recombinant PDEB1 pre-incubated for 5 mins prior to substrate addition |
Bioorg Med Chem Lett 24: 4084-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50058066
(CHEMBL3323131)Show SMILES COc1ccc(OCCCCOc2cc(ccc2OC)[C@]2(CC[C@@H](CC2)C(O)=O)C#N)cc1 |r,wU:23.27,20.30,(.4,-21.91,;.4,-23.45,;1.73,-24.22,;3.07,-23.45,;4.4,-24.22,;4.4,-25.76,;5.73,-26.53,;7.06,-25.76,;8.4,-26.53,;8.4,-28.07,;9.73,-28.84,;9.73,-30.38,;11.07,-31.15,;12.39,-30.38,;13.73,-31.14,;13.73,-32.69,;12.4,-33.47,;11.06,-32.69,;9.73,-33.46,;9.73,-35,;15.06,-30.37,;16.39,-31.14,;17.72,-30.37,;17.72,-28.83,;16.38,-28.06,;15.05,-28.83,;19.06,-28.06,;20.39,-28.83,;19.06,-26.52,;15.05,-31.91,;15.04,-33.44,;3.07,-26.53,;1.74,-25.77,)| Show InChI InChI=1S/C26H31NO6/c1-30-21-6-8-22(9-7-21)32-15-3-4-16-33-24-17-20(5-10-23(24)31-2)26(18-27)13-11-19(12-14-26)25(28)29/h5-10,17,19H,3-4,11-16H2,1-2H3,(H,28,29)/t19-,26- | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei recombinant PDEB1 pre-incubated for 5 mins prior to substrate addition |
Bioorg Med Chem Lett 24: 4084-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50058067
(CHEMBL3323130)Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)C#N)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:25.30,22.33,(30.62,-25.52,;30.62,-23.98,;31.95,-23.21,;33.29,-23.98,;34.63,-23.21,;34.62,-21.66,;33.28,-20.9,;31.96,-21.67,;30.62,-20.9,;30.62,-19.36,;29.29,-18.59,;29.29,-17.05,;27.95,-16.28,;26.62,-17.05,;25.29,-16.28,;25.29,-14.74,;23.96,-13.97,;22.62,-14.74,;22.63,-16.29,;23.96,-17.05,;21.29,-13.97,;19.95,-13.21,;35.95,-20.89,;37.28,-21.66,;38.61,-20.89,;38.61,-19.35,;37.28,-18.58,;35.94,-19.35,;39.95,-18.57,;41.28,-19.34,;39.95,-17.03,;35.94,-22.42,;35.93,-23.96,)| Show InChI InChI=1S/C26H28N2O5/c1-31-23-9-6-21(26(18-28)12-10-20(11-13-26)25(29)30)16-24(23)33-15-3-2-14-32-22-7-4-19(17-27)5-8-22/h4-9,16,20H,2-3,10-15H2,1H3,(H,29,30)/t20-,26- | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei recombinant PDEB1 pre-incubated for 5 mins prior to substrate addition |
Bioorg Med Chem Lett 24: 4084-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50058065
(CHEMBL3323132)Show SMILES COc1ccc(cc1OCCCCOc1ccc(C)cc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:24.29,21.32,(11.04,-15.82,;11.04,-14.28,;12.38,-13.51,;13.71,-14.28,;15.05,-13.51,;15.04,-11.96,;13.71,-11.19,;12.38,-11.96,;11.05,-11.19,;11.05,-9.65,;9.71,-8.88,;9.71,-7.34,;8.38,-6.57,;7.04,-7.34,;5.71,-6.57,;5.72,-5.03,;4.38,-4.26,;3.05,-5.03,;1.71,-4.27,;3.05,-6.58,;4.39,-7.34,;16.37,-11.18,;17.71,-11.95,;19.03,-11.18,;19.04,-9.64,;17.7,-8.87,;16.36,-9.64,;20.37,-8.87,;21.71,-9.64,;20.37,-7.33,;16.36,-12.72,;16.35,-14.25,)| Show InChI InChI=1S/C26H31NO5/c1-19-5-8-22(9-6-19)31-15-3-4-16-32-24-17-21(7-10-23(24)30-2)26(18-27)13-11-20(12-14-26)25(28)29/h5-10,17,20H,3-4,11-16H2,1-2H3,(H,28,29)/t20-,26- | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei recombinant PDEB1 pre-incubated for 5 mins prior to substrate addition |
Bioorg Med Chem Lett 24: 4084-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50058061
(CHEMBL3323127)Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nn[nH]n1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:28.34,25.37,(12.65,-15.01,;12.65,-13.47,;13.99,-12.7,;15.32,-13.47,;16.66,-12.7,;16.65,-11.15,;15.32,-10.38,;13.99,-11.15,;12.66,-10.38,;12.65,-8.84,;11.32,-8.07,;11.32,-6.53,;9.99,-5.76,;8.65,-6.53,;7.32,-5.76,;7.33,-4.22,;5.99,-3.45,;4.66,-4.23,;4.66,-5.77,;6,-6.54,;3.33,-3.45,;1.92,-4.08,;.89,-2.94,;1.66,-1.6,;3.16,-1.92,;17.98,-10.37,;19.32,-11.14,;20.64,-10.37,;20.64,-8.83,;19.31,-8.06,;17.97,-8.83,;21.98,-8.06,;23.31,-8.83,;21.98,-6.52,;17.97,-11.91,;17.96,-13.44,)| Show InChI InChI=1S/C26H29N5O5/c1-34-22-9-6-20(26(17-27)12-10-19(11-13-26)25(32)33)16-23(22)36-15-3-2-14-35-21-7-4-18(5-8-21)24-28-30-31-29-24/h4-9,16,19H,2-3,10-15H2,1H3,(H,32,33)(H,28,29,30,31)/t19-,26- | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei recombinant PDEB1 pre-incubated for 5 mins prior to substrate addition |
Bioorg Med Chem Lett 24: 4084-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50058064
(CHEMBL3323133)Show SMILES COc1ccc(cc1OCCCCOc1ccc(F)cc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:24.29,21.32,(11.8,-33.18,;11.81,-31.64,;13.14,-30.87,;14.47,-31.64,;15.81,-30.87,;15.81,-29.32,;14.47,-28.56,;13.14,-29.33,;11.81,-28.56,;11.81,-27.02,;10.47,-26.25,;10.47,-24.71,;9.14,-23.94,;7.81,-24.71,;6.47,-23.94,;6.48,-22.4,;5.15,-21.63,;3.81,-22.4,;2.48,-21.63,;3.82,-23.95,;5.15,-24.71,;17.14,-28.55,;18.47,-29.32,;19.79,-28.55,;19.8,-27.01,;18.46,-26.24,;17.12,-27.01,;21.13,-26.23,;22.47,-27,;21.13,-24.69,;17.13,-30.08,;17.12,-31.62,)| Show InChI InChI=1S/C25H28FNO5/c1-30-22-9-4-19(25(17-27)12-10-18(11-13-25)24(28)29)16-23(22)32-15-3-2-14-31-21-7-5-20(26)6-8-21/h4-9,16,18H,2-3,10-15H2,1H3,(H,28,29)/t18-,25- | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei recombinant PDEB1 pre-incubated for 5 mins prior to substrate addition |
Bioorg Med Chem Lett 24: 4084-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50058068
(CHEMBL3321771)Show SMILES COc1ccc(cc1OCCCCCOc1ccccc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:24.29,21.32,(7.31,-22.01,;7.31,-20.47,;8.64,-19.7,;9.98,-20.47,;11.32,-19.7,;11.31,-18.15,;9.97,-17.38,;8.65,-18.15,;7.31,-17.38,;7.31,-15.84,;5.98,-15.07,;5.98,-13.53,;4.64,-12.76,;4.64,-11.22,;3.31,-10.45,;1.98,-11.22,;.64,-10.46,;-.69,-11.23,;-.69,-12.77,;.65,-13.54,;1.98,-12.76,;12.64,-17.37,;13.97,-18.14,;15.3,-17.37,;15.3,-15.83,;13.97,-15.06,;12.63,-15.83,;16.64,-15.06,;17.97,-15.83,;16.64,-13.52,;12.63,-18.91,;12.62,-20.44,)| Show InChI InChI=1S/C26H31NO5/c1-30-23-11-10-21(26(19-27)14-12-20(13-15-26)25(28)29)18-24(23)32-17-7-3-6-16-31-22-8-4-2-5-9-22/h2,4-5,8-11,18,20H,3,6-7,12-17H2,1H3,(H,28,29)/t20-,26- | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei recombinant PDEB1 pre-incubated for 5 mins prior to substrate addition |
Bioorg Med Chem Lett 24: 4084-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50058063
(CHEMBL3323129)Show SMILES COc1ccc(cc1OCCCOc1ccccc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:22.27,19.30,(26.35,-10.37,;26.35,-8.83,;27.68,-8.06,;29.02,-8.83,;30.35,-8.06,;30.35,-6.51,;29.01,-5.75,;27.69,-6.52,;26.35,-5.75,;26.35,-4.21,;25.02,-3.44,;25.02,-1.9,;23.68,-1.13,;22.35,-1.9,;21.02,-1.13,;19.68,-1.9,;19.68,-3.44,;21.03,-4.21,;22.35,-3.43,;31.68,-5.74,;33.01,-6.5,;34.34,-5.74,;34.34,-4.2,;33,-3.43,;31.67,-4.2,;35.68,-3.42,;37.01,-4.19,;35.68,-1.88,;31.67,-7.27,;31.66,-8.81,)| Show InChI InChI=1S/C24H27NO5/c1-28-21-9-8-19(24(17-25)12-10-18(11-13-24)23(26)27)16-22(21)30-15-5-14-29-20-6-3-2-4-7-20/h2-4,6-9,16,18H,5,10-15H2,1H3,(H,26,27)/t18-,24- | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei recombinant PDEB1 pre-incubated for 5 mins prior to substrate addition |
Bioorg Med Chem Lett 24: 4084-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50058060
(CHEMBL3323123)Show SMILES COc1ccc(cc1OCc1ccccc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:19.24,16.27,(6.33,-24.95,;6.33,-23.41,;7.66,-22.65,;9,-23.42,;10.34,-22.64,;10.33,-21.09,;8.99,-20.33,;7.67,-21.1,;6.33,-20.33,;6.33,-18.79,;5,-18.02,;5,-16.48,;3.67,-15.71,;2.33,-16.48,;2.34,-18.03,;3.67,-18.79,;11.66,-20.32,;12.99,-21.09,;14.32,-20.32,;14.32,-18.78,;12.99,-18.01,;11.65,-18.78,;15.66,-18.01,;16.99,-18.78,;15.66,-16.47,;11.65,-21.86,;11.64,-23.39,)| Show InChI InChI=1S/C22H23NO4/c1-26-19-8-7-18(13-20(19)27-14-16-5-3-2-4-6-16)22(15-23)11-9-17(10-12-22)21(24)25/h2-8,13,17H,9-12,14H2,1H3,(H,24,25)/t17-,22- | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei recombinant PDEB1 pre-incubated for 5 mins prior to substrate addition |
Bioorg Med Chem Lett 24: 4084-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50346088
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)| Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20- | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei recombinant PDEB1 pre-incubated for 5 mins prior to substrate addition |
Bioorg Med Chem Lett 24: 4084-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC |
More data for this
Ligand-Target Pair | |
Search and Browse
