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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Mer' and Ligand = 'BDBM308201'   
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
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM308201
PNG
(US9649309, Compound UNC2606A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(cn1)C(=O)NC1CCN(C)CC1 |r,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;4,1.54,;4,3.08,;5.33,.77,;6.67,1.54,;8,.77,;9.34,1.54,;9.34,3.08,;10.67,3.85,;8,3.85,;6.67,3.08,)|
Show InChI InChI=1S/C26H39N7O2/c1-3-4-13-27-26-29-17-22(24(32-26)30-19-6-8-21(34)9-7-19)23-10-5-18(16-28-23)25(35)31-20-11-14-33(2)15-12-20/h5,10,16-17,19-21,34H,3-4,6-9,11-15H2,1-2H3,(H,31,35)(H2,27,29,30,32)/t19?,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.690n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


US Patent US9649309 (2017)


BindingDB Entry DOI: 10.7270/Q26Q209H
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM308201
PNG
(US9649309, Compound UNC2606A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(cn1)C(=O)NC1CCN(C)CC1 |r,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;4,1.54,;4,3.08,;5.33,.77,;6.67,1.54,;8,.77,;9.34,1.54,;9.34,3.08,;10.67,3.85,;8,3.85,;6.67,3.08,)|
Show InChI InChI=1S/C26H39N7O2/c1-3-4-13-27-26-29-17-22(24(32-26)30-19-6-8-21(34)9-7-19)23-10-5-18(16-28-23)25(35)31-20-11-14-33(2)15-12-20/h5,10,16-17,19-21,34H,3-4,6-9,11-15H2,1-2H3,(H,31,35)(H2,27,29,30,32)/t19?,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


US Patent US9649309 (2017)


BindingDB Entry DOI: 10.7270/Q26Q209H
More data for this
Ligand-Target Pair