Found 3 hits Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4B' and Ligand = 'BDBM50017294' 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
(RAT) | BDBM50017294
(CHEMBL3288029)Show SMILES C[C@H]1CN(Cc2ccc(c(CN3CCOCC3)c2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3nc(C)cs3)c2)C[C@@H](C)N1 |r,wU:37.43,34.36,1.0,51.57,(20.55,-53.47,;19.22,-52.7,;17.9,-53.47,;16.57,-52.7,;15.24,-53.48,;13.91,-52.72,;12.58,-53.49,;11.24,-52.73,;11.24,-51.19,;12.56,-50.4,;12.55,-48.86,;13.88,-48.09,;15.21,-48.85,;16.54,-48.08,;16.53,-46.54,;15.2,-45.78,;13.86,-46.55,;13.9,-51.17,;9.9,-50.42,;8.56,-51.21,;7.23,-50.43,;7.22,-48.89,;8.56,-48.13,;8.56,-46.58,;7.22,-45.81,;5.88,-46.59,;4.54,-45.81,;4.54,-44.27,;3.21,-43.5,;5.88,-43.5,;7.22,-44.26,;8.55,-43.49,;8.54,-41.94,;9.88,-44.25,;11.22,-43.48,;12.56,-44.25,;13.89,-43.48,;13.89,-41.94,;12.55,-41.16,;11.21,-41.94,;15.23,-41.16,;16.57,-41.94,;16.57,-43.48,;17.78,-40.99,;19.26,-41.44,;20.12,-40.16,;21.66,-40.11,;19.18,-38.94,;17.73,-39.47,;9.89,-48.88,;16.55,-51.17,;17.88,-50.4,;17.88,-48.87,;19.22,-51.17,)| Show InChI InChI=1S/C41H50FN7O4S/c1-26-21-49(22-27(2)44-26)23-29-7-12-36(31(17-29)24-48-13-15-52-16-14-48)30-5-4-6-35(18-30)53-40-37(19-32(42)20-43-40)38(50)46-33-8-10-34(11-9-33)47-39(51)41-45-28(3)25-54-41/h4-7,12,17-20,25-27,33-34,44H,8-11,13-16,21-24H2,1-3H3,(H,46,50)(H,47,51)/t26-,27+,33-,34+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of rat PDE4B |
J Med Chem 57: 4661-76 (2014)
Article DOI: 10.1021/jm5001216
BindingDB Entry DOI: 10.7270/Q2708302 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50017294
(CHEMBL3288029)Show SMILES C[C@H]1CN(Cc2ccc(c(CN3CCOCC3)c2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3nc(C)cs3)c2)C[C@@H](C)N1 |r,wU:37.43,34.36,1.0,51.57,(20.55,-53.47,;19.22,-52.7,;17.9,-53.47,;16.57,-52.7,;15.24,-53.48,;13.91,-52.72,;12.58,-53.49,;11.24,-52.73,;11.24,-51.19,;12.56,-50.4,;12.55,-48.86,;13.88,-48.09,;15.21,-48.85,;16.54,-48.08,;16.53,-46.54,;15.2,-45.78,;13.86,-46.55,;13.9,-51.17,;9.9,-50.42,;8.56,-51.21,;7.23,-50.43,;7.22,-48.89,;8.56,-48.13,;8.56,-46.58,;7.22,-45.81,;5.88,-46.59,;4.54,-45.81,;4.54,-44.27,;3.21,-43.5,;5.88,-43.5,;7.22,-44.26,;8.55,-43.49,;8.54,-41.94,;9.88,-44.25,;11.22,-43.48,;12.56,-44.25,;13.89,-43.48,;13.89,-41.94,;12.55,-41.16,;11.21,-41.94,;15.23,-41.16,;16.57,-41.94,;16.57,-43.48,;17.78,-40.99,;19.26,-41.44,;20.12,-40.16,;21.66,-40.11,;19.18,-38.94,;17.73,-39.47,;9.89,-48.88,;16.55,-51.17,;17.88,-50.4,;17.88,-48.87,;19.22,-51.17,)| Show InChI InChI=1S/C41H50FN7O4S/c1-26-21-49(22-27(2)44-26)23-29-7-12-36(31(17-29)24-48-13-15-52-16-14-48)30-5-4-6-35(18-30)53-40-37(19-32(42)20-43-40)38(50)46-33-8-10-34(11-9-33)47-39(51)41-45-28(3)25-54-41/h4-7,12,17-20,25-27,33-34,44H,8-11,13-16,21-24H2,1-3H3,(H,46,50)(H,47,51)/t26-,27+,33-,34+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0251 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis |
J Med Chem 57: 4661-76 (2014)
Article DOI: 10.1021/jm5001216
BindingDB Entry DOI: 10.7270/Q2708302 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50017294
(CHEMBL3288029)Show SMILES C[C@H]1CN(Cc2ccc(c(CN3CCOCC3)c2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3nc(C)cs3)c2)C[C@@H](C)N1 |r,wU:37.43,34.36,1.0,51.57,(20.55,-53.47,;19.22,-52.7,;17.9,-53.47,;16.57,-52.7,;15.24,-53.48,;13.91,-52.72,;12.58,-53.49,;11.24,-52.73,;11.24,-51.19,;12.56,-50.4,;12.55,-48.86,;13.88,-48.09,;15.21,-48.85,;16.54,-48.08,;16.53,-46.54,;15.2,-45.78,;13.86,-46.55,;13.9,-51.17,;9.9,-50.42,;8.56,-51.21,;7.23,-50.43,;7.22,-48.89,;8.56,-48.13,;8.56,-46.58,;7.22,-45.81,;5.88,-46.59,;4.54,-45.81,;4.54,-44.27,;3.21,-43.5,;5.88,-43.5,;7.22,-44.26,;8.55,-43.49,;8.54,-41.94,;9.88,-44.25,;11.22,-43.48,;12.56,-44.25,;13.89,-43.48,;13.89,-41.94,;12.55,-41.16,;11.21,-41.94,;15.23,-41.16,;16.57,-41.94,;16.57,-43.48,;17.78,-40.99,;19.26,-41.44,;20.12,-40.16,;21.66,-40.11,;19.18,-38.94,;17.73,-39.47,;9.89,-48.88,;16.55,-51.17,;17.88,-50.4,;17.88,-48.87,;19.22,-51.17,)| Show InChI InChI=1S/C41H50FN7O4S/c1-26-21-49(22-27(2)44-26)23-29-7-12-36(31(17-29)24-48-13-15-52-16-14-48)30-5-4-6-35(18-30)53-40-37(19-32(42)20-43-40)38(50)46-33-8-10-34(11-9-33)47-39(51)41-45-28(3)25-54-41/h4-7,12,17-20,25-27,33-34,44H,8-11,13-16,21-24H2,1-3H3,(H,46,50)(H,47,51)/t26-,27+,33-,34+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4B at high-affinity rolipram binding site |
J Med Chem 57: 4661-76 (2014)
Article DOI: 10.1021/jm5001216
BindingDB Entry DOI: 10.7270/Q2708302 |
More data for this
Ligand-Target Pair | |
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