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BDBM100163 2-[4-amino-5-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-ethylphenyl)acetamide::2-[4-azanyl-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-ethylphenyl)ethanamide::2-[[4-amino-5-(4-methoxyphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-ethylphenyl)acetamide::2-[[4-amino-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-(2-ethylphenyl)acetamide::MLS002589313::N-(2-ethylphenyl)-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio}acetamide::SMR000033123::cid_3238110

SMILES: CCc1ccccc1NC(=O)CSc1nc2nnc(C)c2c(N)n1-c1ccc(OC)cc1

InChI Key: InChIKey=REBJBCDRPIQQEE-UHFFFAOYSA-N

Data: 1 EC50

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 = 100163   
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
Kallikrein 7


(Homo sapiens (Human))
BDBM100163
PNG
(2-[4-amino-5-(4-methoxyphenyl)-3-methylpyrazolo[3,...)
Show SMILES CCc1ccccc1NC(=O)CSc1nc2nnc(C)c2c(N)n1-c1ccc(OC)cc1
Show InChI InChI=1S/C23H24N6O2S/c1-4-15-7-5-6-8-18(15)25-19(30)13-32-23-26-22-20(14(2)27-28-22)21(24)29(23)16-9-11-17(31-3)12-10-16/h5-12H,4,13,24H2,1-3H3,(H,25,30)
PDB
MMDB

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Similars

PCBioAssay
n/an/an/an/a 4.10E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair