Found 2 hits Enz. Inhib. hit(s) with Target = 'cGMP-dependent 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50263791' 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-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263791
(CHEMBL4062397)Show SMILES Cc1nn(C)c(c1-c1nc(CO)c2n1nc(C)[nH]c2=O)-c1ccc(cc1)C(F)(F)F |(22.28,-12.54,;21.03,-13.44,;21.02,-14.98,;19.55,-15.45,;19.07,-16.91,;18.65,-14.2,;19.56,-12.96,;19.08,-11.49,;19.99,-10.25,;19.09,-9,;19.57,-7.53,;21.07,-7.21,;17.62,-9.47,;17.62,-11.01,;16.28,-11.78,;14.95,-11.01,;13.61,-11.77,;14.96,-9.46,;16.29,-8.7,;16.3,-7.15,;17.11,-14.2,;16.33,-15.53,;14.8,-15.53,;14.02,-14.19,;14.8,-12.86,;16.34,-12.87,;12.47,-14.18,;12.47,-15.72,;11.14,-14.94,;11.72,-12.85,)| Show InChI InChI=1S/C19H17F3N6O2/c1-9-14(17-24-13(8-29)16-18(30)23-10(2)26-28(16)17)15(27(3)25-9)11-4-6-12(7-5-11)19(20,21)22/h4-7,29H,8H2,1-3H3,(H,23,26,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263791
(CHEMBL4062397)Show SMILES Cc1nn(C)c(c1-c1nc(CO)c2n1nc(C)[nH]c2=O)-c1ccc(cc1)C(F)(F)F |(22.28,-12.54,;21.03,-13.44,;21.02,-14.98,;19.55,-15.45,;19.07,-16.91,;18.65,-14.2,;19.56,-12.96,;19.08,-11.49,;19.99,-10.25,;19.09,-9,;19.57,-7.53,;21.07,-7.21,;17.62,-9.47,;17.62,-11.01,;16.28,-11.78,;14.95,-11.01,;13.61,-11.77,;14.96,-9.46,;16.29,-8.7,;16.3,-7.15,;17.11,-14.2,;16.33,-15.53,;14.8,-15.53,;14.02,-14.19,;14.8,-12.86,;16.34,-12.87,;12.47,-14.18,;12.47,-15.72,;11.14,-14.94,;11.72,-12.85,)| Show InChI InChI=1S/C19H17F3N6O2/c1-9-14(17-24-13(8-29)16-18(30)23-10(2)26-28(16)17)15(27(3)25-9)11-4-6-12(7-5-11)19(20,21)22/h4-7,29H,8H2,1-3H3,(H,23,26,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate measured after 30 mins by Yttrium silicate scintillation proximity assay |
ACS Med Chem Lett 9: 68-72 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00343 BindingDB Entry DOI: 10.7270/Q2MG7S23 |
More data for this Ligand-Target Pair | |