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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Discoidin domain-containing receptor 2' and Ligand = 'BDBM50260024'   
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
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50260024
PNG
(CHEMBL4095191 | US10370360, Example 3)
Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C27H29F3N6O/c1-34-6-8-35(9-7-34)16-19-10-23(27(28,29)30)13-24(11-19)33-26(37)21-3-2-20-4-5-36(17-22(20)12-21)25-14-31-18-32-15-25/h2-3,10-15,18H,4-9,16-17H2,1H3,(H,33,37)
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PC sid
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Similars

US Patent
n/an/a 8.00E+3n/an/an/an/an/an/a



The Board of Regents of the University of Texas System

US Patent


Assay Description
The effects of compounds on the kinases DDR1 and DDR2 were assessed by using a Lantha Screen Eu kinase activity assay technology (Invitrogen, USA). K...


US Patent US10370360 (2019)


BindingDB Entry DOI: 10.7270/Q2BP054G
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50260024
PNG
(CHEMBL4095191 | US10370360, Example 3)
Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C27H29F3N6O/c1-34-6-8-35(9-7-34)16-19-10-23(27(28,29)30)13-24(11-19)33-26(37)21-3-2-20-4-5-36(17-22(20)12-21)25-14-31-18-32-15-25/h2-3,10-15,18H,4-9,16-17H2,1H3,(H,33,37)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR2 cytoplasmic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate...


ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair