BDBM50379961 CHEMBL2012226
SMILES: COc1ccc(-c2nc(C(=O)NCc3c(F)cccc3F)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F
InChI Key: InChIKey=HMTUYKXYSLVGDI-NSHDSACASA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50379961 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
(Homo sapiens (Human)) | BDBM50379961
(CHEMBL2012226)Show SMILES COc1ccc(-c2nc(C(=O)NCc3c(F)cccc3F)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r| Show InChI InChI=1S/C24H19F5N4O3/c1-11(30)21-20(22(34)31-10-14-15(25)4-3-5-16(14)26)33-23(36-21)13-6-8-17(35-2)19-12(13)7-9-18(32-19)24(27,28)29/h3-9,11H,10,30H2,1-2H3,(H,31,34)/t11-/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PDE11 |
Bioorg Med Chem Lett 22: 2594-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.115 BindingDB Entry DOI: 10.7270/Q2CN74X0 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50379961
(CHEMBL2012226)Show SMILES COc1ccc(-c2nc(C(=O)NCc3c(F)cccc3F)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r| Show InChI InChI=1S/C24H19F5N4O3/c1-11(30)21-20(22(34)31-10-14-15(25)4-3-5-16(14)26)33-23(36-21)13-6-8-17(35-2)19-12(13)7-9-18(32-19)24(27,28)29/h3-9,11H,10,30H2,1-2H3,(H,31,34)/t11-/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PDE4B |
Bioorg Med Chem Lett 22: 2594-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.115 BindingDB Entry DOI: 10.7270/Q2CN74X0 |
More data for this Ligand-Target Pair | |