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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta' and Ligand = 'BDBM50200930'   
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
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50200930
PNG
(CHEMBL3928423 | US10087187, Compound 66)
Show SMILES Cc1c(Nc2c(CO)nc3c(N)cc(nn23)N2CCOC(CO)C2)cccc1C(F)(F)F
Show InChI InChI=1S/C20H23F3N6O3/c1-11-13(20(21,22)23)3-2-4-15(11)25-19-16(10-31)26-18-14(24)7-17(27-29(18)19)28-5-6-32-12(8-28)9-30/h2-4,7,12,25,30-31H,5-6,8-10,24H2,1H3
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/a 138n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)


BindingDB Entry DOI: 10.7270/Q2M61N9J
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50200930
PNG
(CHEMBL3928423 | US10087187, Compound 66)
Show SMILES Cc1c(Nc2c(CO)nc3c(N)cc(nn23)N2CCOC(CO)C2)cccc1C(F)(F)F
Show InChI InChI=1S/C20H23F3N6O3/c1-11-13(20(21,22)23)3-2-4-15(11)25-19-16(10-31)26-18-14(24)7-17(27-29(18)19)28-5-6-32-12(8-28)9-30/h2-4,7,12,25,30-31H,5-6,8-10,24H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/a 1.30n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)


BindingDB Entry DOI: 10.7270/Q2M61N9J
More data for this
Ligand-Target Pair