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BDBM100164 MLS002582724::N-[3-cyano-1-(2-furanylmethyl)-10-methyl-5-oxo-2-dipyrido[3,4-c:1',2'-f]pyrimidinylidene]benzamide::N-[3-cyano-1-(2-furfuryl)-5-keto-10-methyl-dipyrido[3,4-c:1',2'-f]pyrimidin-2-ylidene]benzamide::N-[3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxidanylidene-dipyrido[3,4-c:1',2'-f]pyrimidin-2-ylidene]benzamide::N-[3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxodipyrido[3,4-c:1',2'-f]pyrimidin-2-ylidene]benzamide::SMR001496657::cid_663304

SMILES: Cc1cccn2c1nc1n(Cc3ccco3)\c(=N\C(=O)c3ccccc3)c(cc1c2=O)C#N

InChI Key: InChIKey=YXHKFUOUWIEEHN-XAYXJRQQSA-N

Data: 1 EC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 100164   
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))
BDBM100164
PNG
(MLS002582724 | N-[3-cyano-1-(2-furanylmethyl)-10-m...)
Show SMILES Cc1cccn2c1nc1n(Cc3ccco3)\c(=N\C(=O)c3ccccc3)c(cc1c2=O)C#N
Show InChI InChI=1S/C25H17N5O3/c1-16-7-5-11-29-21(16)27-23-20(25(29)32)13-18(14-26)22(30(23)15-19-10-6-12-33-19)28-24(31)17-8-3-2-4-9-17/h2-13H,15H2,1H3/b28-22+
PDB
MMDB

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PC cid
PC sid
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Similars

PCBioAssay
n/an/an/an/a 7.95E+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