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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

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 = 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
AffyNet 
PC cid
PC sid
UniChem

Similars

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)

More data for this
Ligand-Target Pair