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BDBM50444284 CHEMBL3093637::US9649309, Compound UNC2084A

SMILES: CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCC2CCNCC2)n1

InChI Key: InChIKey=CSTHTXUPJYUFSY-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50444284   
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
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50444284
PNG
(CHEMBL3093637 | US9649309, Compound UNC2084A)
Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCC2CCNCC2)n1
Show InChI InChI=1S/C25H37N7O4S/c1-2-3-10-27-25-29-18-22(23(31-25)28-17-19-8-11-26-12-9-19)24(33)30-20-4-6-21(7-5-20)37(34,35)32-13-15-36-16-14-32/h4-7,18-19,26H,2-3,8-17H2,1H3,(H,30,33)(H2,27,28,29,31)
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Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh

Curated by ChEMBL


Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay


J Med Chem 56: 9693-700 (2014)


Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50444284
PNG
(CHEMBL3093637 | US9649309, Compound UNC2084A)
Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCC2CCNCC2)n1
Show InChI InChI=1S/C25H37N7O4S/c1-2-3-10-27-25-29-18-22(23(31-25)28-17-19-8-11-26-12-9-19)24(33)30-20-4-6-21(7-5-20)37(34,35)32-13-15-36-16-14-32/h4-7,18-19,26H,2-3,8-17H2,1H3,(H,30,33)(H2,27,28,29,31)
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US Patent
n/an/a 55n/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 receptor UFO


(Homo sapiens (Human))
BDBM50444284
PNG
(CHEMBL3093637 | US9649309, Compound UNC2084A)
Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCC2CCNCC2)n1
Show InChI InChI=1S/C25H37N7O4S/c1-2-3-10-27-25-29-18-22(23(31-25)28-17-19-8-11-26-12-9-19)24(33)30-20-4-6-21(7-5-20)37(34,35)32-13-15-36-16-14-32/h4-7,18-19,26H,2-3,8-17H2,1H3,(H,30,33)(H2,27,28,29,31)
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Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh

Curated by ChEMBL


Assay Description
Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay


J Med Chem 56: 9693-700 (2014)


Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50444284
PNG
(CHEMBL3093637 | US9649309, Compound UNC2084A)
Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCC2CCNCC2)n1
Show InChI InChI=1S/C25H37N7O4S/c1-2-3-10-27-25-29-18-22(23(31-25)28-17-19-8-11-26-12-9-19)24(33)30-20-4-6-21(7-5-20)37(34,35)32-13-15-36-16-14-32/h4-7,18-19,26H,2-3,8-17H2,1H3,(H,30,33)(H2,27,28,29,31)
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PC sid
UniChem

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Article
PubMed
n/an/a 620n/an/an/an/an/an/a



Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh

Curated by ChEMBL


Assay Description
Inhibition of Tyro-3 kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis as...


J Med Chem 56: 9693-700 (2014)


Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1
More data for this
Ligand-Target Pair