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BDBM50444242 CHEMBL3093755

SMILES: CCCCNc1ncc(C(=O)NCc2ccc(cc2)S(N)(=O)=O)c(N[C@H]2CC[C@H](O)CC2)n1

InChI Key: InChIKey=CQFHCAGCNILQLR-QAQDUYKDSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50444242   
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))
BDBM50444242
PNG
(CHEMBL3093755)
Show SMILES CCCCNc1ncc(C(=O)NCc2ccc(cc2)S(N)(=O)=O)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.25,wD:28.29,(24.27,-9.22,;25.6,-8.45,;26.93,-9.22,;28.27,-8.45,;29.6,-9.22,;30.94,-8.45,;32.27,-9.22,;33.61,-8.45,;33.6,-6.9,;34.93,-6.12,;34.93,-4.58,;36.27,-6.89,;37.6,-6.11,;38.94,-6.88,;38.94,-8.42,;40.27,-9.18,;41.6,-8.41,;41.59,-6.86,;40.26,-6.1,;42.94,-9.17,;44.27,-8.39,;43.7,-10.5,;42.17,-10.5,;32.27,-6.14,;32.26,-4.6,;30.93,-3.83,;29.59,-4.61,;28.25,-3.84,;28.25,-2.29,;26.92,-1.52,;29.59,-1.53,;30.92,-2.29,;30.94,-6.91,)|
Show InChI InChI=1S/C22H32N6O4S/c1-2-3-12-24-22-26-14-19(20(28-22)27-16-6-8-17(29)9-7-16)21(30)25-13-15-4-10-18(11-5-15)33(23,31)32/h4-5,10-11,14,16-17,29H,2-3,6-9,12-13H2,1H3,(H,25,30)(H2,23,31,32)(H2,24,26,27,28)/t16-,17-
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n/an/a 5.20n/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
3D
3D Structure (crystal)
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50444242
PNG
(CHEMBL3093755)
Show SMILES CCCCNc1ncc(C(=O)NCc2ccc(cc2)S(N)(=O)=O)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.25,wD:28.29,(24.27,-9.22,;25.6,-8.45,;26.93,-9.22,;28.27,-8.45,;29.6,-9.22,;30.94,-8.45,;32.27,-9.22,;33.61,-8.45,;33.6,-6.9,;34.93,-6.12,;34.93,-4.58,;36.27,-6.89,;37.6,-6.11,;38.94,-6.88,;38.94,-8.42,;40.27,-9.18,;41.6,-8.41,;41.59,-6.86,;40.26,-6.1,;42.94,-9.17,;44.27,-8.39,;43.7,-10.5,;42.17,-10.5,;32.27,-6.14,;32.26,-4.6,;30.93,-3.83,;29.59,-4.61,;28.25,-3.84,;28.25,-2.29,;26.92,-1.52,;29.59,-1.53,;30.92,-2.29,;30.94,-6.91,)|
Show InChI InChI=1S/C22H32N6O4S/c1-2-3-12-24-22-26-14-19(20(28-22)27-16-6-8-17(29)9-7-16)21(30)25-13-15-4-10-18(11-5-15)33(23,31)32/h4-5,10-11,14,16-17,29H,2-3,6-9,12-13H2,1H3,(H,25,30)(H2,23,31,32)(H2,24,26,27,28)/t16-,17-
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n/an/a 260n/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))
BDBM50444242
PNG
(CHEMBL3093755)
Show SMILES CCCCNc1ncc(C(=O)NCc2ccc(cc2)S(N)(=O)=O)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.25,wD:28.29,(24.27,-9.22,;25.6,-8.45,;26.93,-9.22,;28.27,-8.45,;29.6,-9.22,;30.94,-8.45,;32.27,-9.22,;33.61,-8.45,;33.6,-6.9,;34.93,-6.12,;34.93,-4.58,;36.27,-6.89,;37.6,-6.11,;38.94,-6.88,;38.94,-8.42,;40.27,-9.18,;41.6,-8.41,;41.59,-6.86,;40.26,-6.1,;42.94,-9.17,;44.27,-8.39,;43.7,-10.5,;42.17,-10.5,;32.27,-6.14,;32.26,-4.6,;30.93,-3.83,;29.59,-4.61,;28.25,-3.84,;28.25,-2.29,;26.92,-1.52,;29.59,-1.53,;30.92,-2.29,;30.94,-6.91,)|
Show InChI InChI=1S/C22H32N6O4S/c1-2-3-12-24-22-26-14-19(20(28-22)27-16-6-8-17(29)9-7-16)21(30)25-13-15-4-10-18(11-5-15)33(23,31)32/h4-5,10-11,14,16-17,29H,2-3,6-9,12-13H2,1H3,(H,25,30)(H2,23,31,32)(H2,24,26,27,28)/t16-,17-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 280n/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