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BDBM50010312 CHEMBL3251360

SMILES: CCCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=RYNQZAUYSQLOBE-IDTAVKCVSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50010312   
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)
BDBM50010312
PNG
(CHEMBL3251360)
Show SMILES CCCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H26N5O13P3S/c1-2-3-4-5-37-15-19-9-12(16)17-7-18-13(9)20(15)14-11(22)10(21)8(31-14)6-30-35(26,27)33-36(28,29)32-34(23,24)25/h7-8,10-11,14,21-22H,2-6H2,1H3,(H,26,27)(H,28,29)(H2,16,17,18)(H2,23,24,25)/t8-,10-,11-,14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Sprague-Dawley rat liver adenylate kinase 3 by Lineweaver-Burk plot analysis


J Med Chem 22: 1529-32 (1980)


Article DOI: 10.1021/jm00198a018
BindingDB Entry DOI: 10.7270/Q2JD4Z9V
More data for this
Ligand-Target Pair
Adenylate kinase 2


(Rattus norvegicus)
BDBM50010312
PNG
(CHEMBL3251360)
Show SMILES CCCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H26N5O13P3S/c1-2-3-4-5-37-15-19-9-12(16)17-7-18-13(9)20(15)14-11(22)10(21)8(31-14)6-30-35(26,27)33-36(28,29)32-34(23,24)25/h7-8,10-11,14,21-22H,2-6H2,1H3,(H,26,27)(H,28,29)(H2,16,17,18)(H2,23,24,25)/t8-,10-,11-,14-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Sprague-Dawley rat liver adenylate kinase 2 by Lineweaver-Burk plot analysis


J Med Chem 22: 1529-32 (1980)


Article DOI: 10.1021/jm00198a018
BindingDB Entry DOI: 10.7270/Q2JD4Z9V
More data for this
Ligand-Target Pair