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BDBM54152 Adenosine amine congener::MLS001056802::N-[3-[2-(2-aminoethylamino)-2-keto-ethyl]phenyl]-2-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl]amino]phenyl]acetamide::N-[3-[2-(2-aminoethylamino)-2-oxoethyl]phenyl]-2-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]phenyl]acetamide::N-[3-[2-(2-aminoethylamino)-2-oxoethyl]phenyl]-2-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetamide::N-[3-[2-(2-azanylethylamino)-2-oxidanylidene-ethyl]phenyl]-2-[4-[[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]phenyl]ethanamide::SMR000326971::cid_16218845

SMILES: NCCNC(=O)Cc1cccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c1

InChI Key: InChIKey=HVJGNAHENNXYLP-QZHHGCDDSA-N

Data: 1 IC50

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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 = 54152   
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
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM54152
PNG
(Adenosine amine congener | MLS001056802 | N-[3-[2-...)
Show SMILES NCCNC(=O)Cc1cccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c1
Show InChI InChI=1S/C28H32N8O6/c29-8-9-30-21(38)12-17-2-1-3-19(10-17)34-22(39)11-16-4-6-18(7-5-16)35-26-23-27(32-14-31-26)36(15-33-23)28-25(41)24(40)20(13-37)42-28/h1-7,10,14-15,20,24-25,28,37,40-41H,8-9,11-13,29H2,(H,30,38)(H,34,39)(H,31,32,35)/t20-,24-,25-,28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 5.37E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


Article DOI: 10.1021/cb400452z
BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair