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BDBM128192 2-(cyclopropylmethylamino)-4-(4-fluorophenyl)-6-methyl-1-[2-(trifluoromethyl)benzyl]-4H-pyrimidine-5-carboxylic acid methyl ester::2-(cyclopropylmethylamino)-4-(4-fluorophenyl)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylic acid methyl ester::MLS003843380::SMR002516093::cid_53316201::methyl 2-(cyclopropylmethylamino)-4-(4-fluorophenyl)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate

SMILES: COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCC2CC2)=NC1c1ccc(F)cc1

InChI Key: InChIKey=HQDJZFWOTDSOGH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 128192   
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
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128192
PNG
(2-(cyclopropylmethylamino)-4-(4-fluorophenyl)-6-me...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCC2CC2)=NC1c1ccc(F)cc1
Show InChI InChI=1S/C25H25F4N3O2/c1-15-21(23(33)34-2)22(17-9-11-19(26)12-10-17)31-24(30-13-16-7-8-16)32(15)14-18-5-3-4-6-20(18)25(27,28)29/h3-6,9-12,16,22H,7-8,13-14H2,1-2H3,(H,30,31)
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>9.66E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair