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BDBM50367089 CHEMBL1788163

SMILES: CC(=O)NCCNc1ncnc2n(cnc12)C1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=IQLSZVIBSSZSBX-OYBGHCQBSA-M

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50367089   
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 2


(Rattus norvegicus)
BDBM50367089
PNG
(CHEMBL1788163)
Show SMILES CC(=O)NCCNc1ncnc2n(cnc12)C1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H21N6O8P/c1-7(21)15-2-3-16-12-9-13(18-5-17-12)20(6-19-9)14-11(23)10(22)8(28-14)4-27-29(24,25)26/h5-6,8,10-11,14,22-23H,2-4H2,1H3,(H,15,21)(H,16,17,18)(H2,24,25,26)/p-1/t8-,10-,11-,14?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.14E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non competitive binding inhibition constant (Ki) of rat adenylate kinase (AK II) isozymes was determined


Citation and Details
More data for this
Ligand-Target Pair
Adenylate kinase 3 alpha like 1


(Rattus norvegicus)
BDBM50367089
PNG
(CHEMBL1788163)
Show SMILES CC(=O)NCCNc1ncnc2n(cnc12)C1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H21N6O8P/c1-7(21)15-2-3-16-12-9-13(18-5-17-12)20(6-19-9)14-11(23)10(22)8(28-14)4-27-29(24,25)26/h5-6,8,10-11,14,22-23H,2-4H2,1H3,(H,15,21)(H,16,17,18)(H2,24,25,26)/p-1/t8-,10-,11-,14?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.24E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non competitive binding inhibition constant of rat aAdenylate kinase III was determined


Citation and Details
More data for this
Ligand-Target Pair