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BDBM100186 (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-3,4-bis(oxidanyl)oxolane-2-carboxamide::(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-3,4-dihydroxyoxolane-2-carboxamide::(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-3,4-dihydroxy-2-oxolanecarboxamide::(2S,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-N-naphthionyl-tetrahydrofuran-2-carboxamide::MLS003271259::SMR001950854::cid_51360273

SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=RZPLUJORGDMCSP-RQXXJAGISA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 100186   
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))
BDBM100186
PNG
((2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-[5-(dimethyl...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C22H23N7O6S/c1-28(2)13-7-3-6-12-11(13)5-4-8-14(12)36(33,34)27-21(32)18-16(30)17(31)22(35-18)29-10-26-15-19(23)24-9-25-20(15)29/h3-10,16-18,22,30-31H,1-2H3,(H,27,32)(H2,23,24,25)/t16-,17+,18-,22+/m0/s1
PDB
MMDB

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Similars

PCBioAssay
n/an/an/an/a 8.16E+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