Found 2 hits Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D' and Ligand = 'BDBM50473722' 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 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50473722
(CHEMBL315565)Show SMILES COc1ccc(cc1OC)C1=NN(C2C3CC4CC(C3)CC2C4)C(=O)C2CC=CCC12 |c:31,t:11,TLB:12:13:15:18.19.17,THB:20:21:15:18.19.17,20:18:15:13.21.22,17:16:13:18.20.19,17:18:13:16.15.22,(9.5,-12.21,;10.84,-11.45,;12.18,-12.21,;13.51,-11.45,;14.85,-12.21,;14.85,-13.76,;13.51,-14.53,;12.18,-13.76,;10.84,-14.53,;9.5,-13.76,;16.18,-14.53,;16.16,-16.07,;17.5,-16.82,;17.49,-18.35,;18.84,-19.05,;20.05,-20.33,;18.84,-21.58,;18.8,-23.08,;17.63,-21.39,;18.9,-20.58,;16.26,-20.69,;16.2,-19.16,;16.74,-20.49,;18.84,-16.07,;20.17,-16.83,;18.83,-14.53,;20.17,-13.76,;20.17,-12.23,;18.84,-11.45,;17.5,-12.21,;17.5,-13.74,)| Show InChI InChI=1S/C26H32N2O3/c1-30-22-8-7-17(14-23(22)31-2)24-20-5-3-4-6-21(20)26(29)28(27-24)25-18-10-15-9-16(12-18)13-19(25)11-15/h3-4,7-8,14-16,18-21,25H,5-6,9-13H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.398 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit
Curated by ChEMBL
| Assay Description
Inhibitory concentration against phosphodiesterase 4 (PDE4) in cytosol of human neutrophils |
J Med Chem 45: 2520-5 (2002)
Article DOI: 10.1021/jm0110340
BindingDB Entry DOI: 10.7270/Q2862K56 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50473722
(CHEMBL315565)Show SMILES COc1ccc(cc1OC)C1=NN(C2C3CC4CC(C3)CC2C4)C(=O)C2CC=CCC12 |c:31,t:11,TLB:12:13:15:18.19.17,THB:20:21:15:18.19.17,20:18:15:13.21.22,17:16:13:18.20.19,17:18:13:16.15.22,(9.5,-12.21,;10.84,-11.45,;12.18,-12.21,;13.51,-11.45,;14.85,-12.21,;14.85,-13.76,;13.51,-14.53,;12.18,-13.76,;10.84,-14.53,;9.5,-13.76,;16.18,-14.53,;16.16,-16.07,;17.5,-16.82,;17.49,-18.35,;18.84,-19.05,;20.05,-20.33,;18.84,-21.58,;18.8,-23.08,;17.63,-21.39,;18.9,-20.58,;16.26,-20.69,;16.2,-19.16,;16.74,-20.49,;18.84,-16.07,;20.17,-16.83,;18.83,-14.53,;20.17,-13.76,;20.17,-12.23,;18.84,-11.45,;17.5,-12.21,;17.5,-13.74,)| Show InChI InChI=1S/C26H32N2O3/c1-30-22-8-7-17(14-23(22)31-2)24-20-5-3-4-6-21(20)26(29)28(27-24)25-18-10-15-9-16(12-18)13-19(25)11-15/h3-4,7-8,14-16,18-21,25H,5-6,9-13H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit
Curated by ChEMBL
| Assay Description
Inhibitory activity against phosphodiesterase 4 carried out in the cytosol of human neutrophils |
J Med Chem 45: 2526-33 (2002)
Article DOI: 10.1021/jm0110338
BindingDB Entry DOI: 10.7270/Q24F1TFG |
More data for this
Ligand-Target Pair | |
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