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BDBM50367075 CHEMBL611859

SMILES: O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC([C@@H]1O)n1cnc2c(NCCNC(=O)CI)ncnc12

InChI Key: InChIKey=YJMAAQJJXDPSKX-WHXREITPSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50367075   
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
Adenylate kinase 3 alpha like 1


(Rattus norvegicus)
BDBM50367075
PNG
(CHEMBL611859)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC([C@@H]1O)n1cnc2c(NCCNC(=O)CI)ncnc12
Show InChI InChI=1S/C14H22IN6O14P3/c15-3-8(22)16-1-2-17-12-9-13(19-5-18-12)21(6-20-9)14-11(24)10(23)7(33-14)4-32-37(28,29)35-38(30,31)34-36(25,26)27/h5-7,10-11,14,23-24H,1-4H2,(H,16,22)(H,28,29)(H,30,31)(H,17,18,19)(H2,25,26,27)/t7-,10-,11-,14?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
5.90E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit rat adenylate kinase III, activity expressed as Inhibition constant


Citation and Details
More data for this
Ligand-Target Pair