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BDBM50240743 CHEMBL4097029

SMILES: COc1cc(\C=C2/CCn3c2nc2cc(NCCCN4CCOCC4)c(F)cc2c3=O)cc(OC)c1OC

InChI Key: InChIKey=GFUVEDOWIQMGMQ-CPNJWEJPSA-N

Data: 2 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50240743   
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
Nucleoside diphosphate kinase B


(Homo sapiens (Human))
BDBM50240743
PNG
(CHEMBL4097029)
Show SMILES COc1cc(\C=C2/CCn3c2nc2cc(NCCCN4CCOCC4)c(F)cc2c3=O)cc(OC)c1OC
Show InChI InChI=1S/C28H33FN4O5/c1-35-24-14-18(15-25(36-2)26(24)37-3)13-19-5-8-33-27(19)31-22-17-23(21(29)16-20(22)28(33)34)30-6-4-7-32-9-11-38-12-10-32/h13-17,30H,4-12H2,1-3H3/b19-13+
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Similars

Article
PubMed
n/an/an/a 2.36E+4n/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal NT-647-NHS labeled NM23-H2 (unknown origin) after 30 mins by MST analysis


J Med Chem 60: 6924-6941 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00421
BindingDB Entry DOI: 10.7270/Q2Q242C3
More data for this
Ligand-Target Pair
Nucleoside diphosphate kinase B


(Homo sapiens (Human))
BDBM50240743
PNG
(CHEMBL4097029)
Show SMILES COc1cc(\C=C2/CCn3c2nc2cc(NCCCN4CCOCC4)c(F)cc2c3=O)cc(OC)c1OC
Show InChI InChI=1S/C28H33FN4O5/c1-35-24-14-18(15-25(36-2)26(24)37-3)13-19-5-8-33-27(19)31-22-17-23(21(29)16-20(22)28(33)34)30-6-4-7-32-9-11-38-12-10-32/h13-17,30H,4-12H2,1-3H3/b19-13+
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 1.85E+4n/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Binding affinity to NM23-H2 (unknown origin) by SPR analysis


J Med Chem 60: 6924-6941 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00421
BindingDB Entry DOI: 10.7270/Q2Q242C3
More data for this
Ligand-Target Pair