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BDBM50444262 CHEMBL3093764

SMILES: CCCCNc1ncc(C(=O)Nc2ccc(F)cc2)c(NC[C@H]2CC[C@H](N)CC2)n1

InChI Key: InChIKey=WRYYRMHEPCBQIZ-JCNLHEQBSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50444262   
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))
BDBM50444262
PNG
(CHEMBL3093764)
Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(F)cc2)c(NC[C@H]2CC[C@H](N)CC2)n1 |r,wU:22.22,wD:25.26,(.7,-12.07,;2.03,-11.3,;3.37,-12.07,;4.7,-11.3,;6.03,-12.07,;7.37,-11.31,;8.7,-12.08,;10.04,-11.3,;10.03,-9.75,;11.37,-8.98,;11.36,-7.44,;12.7,-9.74,;14.03,-8.97,;15.37,-9.74,;16.7,-8.97,;16.69,-7.43,;18.02,-6.65,;15.35,-6.66,;14.02,-7.44,;8.7,-8.99,;8.69,-7.45,;7.36,-6.68,;7.35,-5.14,;6.02,-4.38,;6.02,-2.83,;7.36,-2.06,;7.36,-.52,;8.69,-2.83,;8.69,-4.37,;7.37,-9.76,)|
Show InChI InChI=1S/C22H31FN6O/c1-2-3-12-25-22-27-14-19(21(30)28-18-10-6-16(23)7-11-18)20(29-22)26-13-15-4-8-17(24)9-5-15/h6-7,10-11,14-15,17H,2-5,8-9,12-13,24H2,1H3,(H,28,30)(H2,25,26,27,29)/t15-,17-
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PubMed
n/an/a 40n/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 receptor UFO


(Homo sapiens (Human))
BDBM50444262
PNG
(CHEMBL3093764)
Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(F)cc2)c(NC[C@H]2CC[C@H](N)CC2)n1 |r,wU:22.22,wD:25.26,(.7,-12.07,;2.03,-11.3,;3.37,-12.07,;4.7,-11.3,;6.03,-12.07,;7.37,-11.31,;8.7,-12.08,;10.04,-11.3,;10.03,-9.75,;11.37,-8.98,;11.36,-7.44,;12.7,-9.74,;14.03,-8.97,;15.37,-9.74,;16.7,-8.97,;16.69,-7.43,;18.02,-6.65,;15.35,-6.66,;14.02,-7.44,;8.7,-8.99,;8.69,-7.45,;7.36,-6.68,;7.35,-5.14,;6.02,-4.38,;6.02,-2.83,;7.36,-2.06,;7.36,-.52,;8.69,-2.83,;8.69,-4.37,;7.37,-9.76,)|
Show InChI InChI=1S/C22H31FN6O/c1-2-3-12-25-22-27-14-19(21(30)28-18-10-6-16(23)7-11-18)20(29-22)26-13-15-4-8-17(24)9-5-15/h6-7,10-11,14-15,17H,2-5,8-9,12-13,24H2,1H3,(H,28,30)(H2,25,26,27,29)/t15-,17-
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n/an/a 2.00E+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))
BDBM50444262
PNG
(CHEMBL3093764)
Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(F)cc2)c(NC[C@H]2CC[C@H](N)CC2)n1 |r,wU:22.22,wD:25.26,(.7,-12.07,;2.03,-11.3,;3.37,-12.07,;4.7,-11.3,;6.03,-12.07,;7.37,-11.31,;8.7,-12.08,;10.04,-11.3,;10.03,-9.75,;11.37,-8.98,;11.36,-7.44,;12.7,-9.74,;14.03,-8.97,;15.37,-9.74,;16.7,-8.97,;16.69,-7.43,;18.02,-6.65,;15.35,-6.66,;14.02,-7.44,;8.7,-8.99,;8.69,-7.45,;7.36,-6.68,;7.35,-5.14,;6.02,-4.38,;6.02,-2.83,;7.36,-2.06,;7.36,-.52,;8.69,-2.83,;8.69,-4.37,;7.37,-9.76,)|
Show InChI InChI=1S/C22H31FN6O/c1-2-3-12-25-22-27-14-19(21(30)28-18-10-6-16(23)7-11-18)20(29-22)26-13-15-4-8-17(24)9-5-15/h6-7,10-11,14-15,17H,2-5,8-9,12-13,24H2,1H3,(H,28,30)(H2,25,26,27,29)/t15-,17-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 900n/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