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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nucleoside diphosphate kinase B'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nucleoside diphosphate kinase B


(Homo sapiens (Human))
BDBM50233219
PNG
(CHEMBL4105151)
Show SMILES CN1CCN(CC1)c1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(NC(=O)CCN2CCN(CCO)CC2)cc1
Show InChI InChI=1S/C32H40FN7O3/c1-36-10-16-39(17-11-36)29-22-28-26(21-27(29)33)32(43)40-9-6-24(31(40)35-28)20-23-2-4-25(5-3-23)34-30(42)7-8-37-12-14-38(15-13-37)18-19-41/h2-5,20-22,41H,6-19H2,1H3,(H,34,42)/b24-20+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 1.80E+3n/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Binding affinity to NT647-labeled His-tagged NM23-H2 (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins by microscale thermophore...


J Med Chem 60: 1292-1308 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01218
More data for this
Ligand-Target Pair
Nucleoside diphosphate kinase B


(Homo sapiens (Human))
BDBM50233220
PNG
(CHEMBL4079924)
Show SMILES O=C(CCN1CCCC1)Nc1ccc(\C=C2/CCCn3c2nc2cc(NC(=O)CCN4CCCC4)ccc2c3=O)cc1
Show InChI InChI=1S/C33H40N6O3/c40-30(13-20-37-15-1-2-16-37)34-26-9-7-24(8-10-26)22-25-6-5-19-39-32(25)36-29-23-27(11-12-28(29)33(39)42)35-31(41)14-21-38-17-3-4-18-38/h7-12,22-23H,1-6,13-21H2,(H,34,40)(H,35,41)/b25-22+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 2.21E+4n/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Binding affinity to NT647-labeled His-tagged NM23-H2 (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins by microscale thermophore...


J Med Chem 60: 1292-1308 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01218
More data for this
Ligand-Target Pair