new BindingDB logo
myBDB logout

BDBM153393 Methyl 3-(3-carbamoyl-4-(3-methoxyphenylamino)-8-methylquinolin-6-ylamino)benzoate (13)

SMILES: COC(=O)c1cccc(Nc2cc(C)c3ncc(C(N)=O)c(Nc4cccc(OC)c4)c3c2)c1

InChI Key: InChIKey=YORBTCPRNQJLJN-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 153393   
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
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153393
PNG
(Methyl 3-(3-carbamoyl-4-(3-methoxyphenylamino)-8-m...)
Show SMILES COC(=O)c1cccc(Nc2cc(C)c3ncc(C(N)=O)c(Nc4cccc(OC)c4)c3c2)c1
Show InChI InChI=1S/C26H24N4O4/c1-15-10-19(29-17-7-4-6-16(11-17)26(32)34-3)13-21-23(15)28-14-22(25(27)31)24(21)30-18-8-5-9-20(12-18)33-2/h4-14,29H,1-3H3,(H2,27,31)(H,28,30)
PDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+4n/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