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BDBM153394 Methyl 3-(3-carbamoyl-4-((3-methoxyphenyl)amino)-8-methylquinolin-6-yl)benzoate (17a)

SMILES: COC(=O)c1cccc(c1)-c1cc(C)c2ncc(C(N)=O)c(Nc3cccc(OC)c3)c2c1

InChI Key: InChIKey=JYPQYRGDTUHVIB-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 153394   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM153394
PNG
(Methyl 3-(3-carbamoyl-4-((3-methoxyphenyl)amino)-8...)
Show SMILES COC(=O)c1cccc(c1)-c1cc(C)c2ncc(C(N)=O)c(Nc3cccc(OC)c3)c2c1
Show InChI InChI=1S/C26H23N3O4/c1-15-10-18(16-6-4-7-17(11-16)26(31)33-3)12-21-23(15)28-14-22(25(27)30)24(21)29-19-8-5-9-20(13-19)32-2/h4-14H,1-3H3,(H2,27,30)(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Northeastern University



Assay Description
This assay was performed at Takeda Pharmaceuticals using methods previously reported.


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153394
PNG
(Methyl 3-(3-carbamoyl-4-((3-methoxyphenyl)amino)-8...)
Show SMILES COC(=O)c1cccc(c1)-c1cc(C)c2ncc(C(N)=O)c(Nc3cccc(OC)c3)c2c1
Show InChI InChI=1S/C26H23N3O4/c1-15-10-18(16-6-4-7-17(11-16)26(31)33-3)12-21-23(15)28-14-22(25(27)30)24(21)29-19-8-5-9-20(13-19)32-2/h4-14H,1-3H3,(H2,27,30)(H,28,29)
PDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.40E+3n/an/an/an/a7.4n/a



Northeastern University



Assay Description
In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25ÁM cAMP (Enzo Lifesci...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
More data for this
Ligand-Target Pair