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2 similar compounds to monomer 50150109

Compile data set for download or QSAR
Wt: 520.6
BDBM50150110
Wt: 448.5
BDBM50150127

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50150110,50150127   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50150127
PNG
(CHEMBL3769843)
Show SMILES CN1C2=NCCN2c2nn(Cc3ccc(cc3)-c3ccccc3)c(Nc3ccccc3)c2C1=O
Show InChI InChI=1S/C27H24N6O/c1-31-26(34)23-24(29-22-10-6-3-7-11-22)33(30-25(23)32-17-16-28-27(31)32)18-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2-15,29H,16-18H2,1H3
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Article
PubMed
4.40E+4n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE4A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


J Med Chem 59: 1149-64 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01751
BindingDB Entry DOI: 10.7270/Q2X068W7
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50150110
PNG
(CHEMBL3771098)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C24H24N8O2S2/c33-19(13-16-7-3-1-4-8-16)26-22-29-28-21(35-22)25-18-11-12-32(15-18)24-31-30-23(36-24)27-20(34)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,25,28)(H,26,29,33)(H,27,30,34)/t18-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)