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BDBM50201148 CHEMBL3946971

SMILES: CN1CCN(Cc2ccc(cc2)-c2cn3CCCCCC(O)CCCCCCCNc4ncc2c3n4)CC1

InChI Key: InChIKey=FXTJCTYAPOCFAC-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

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 5 hits for monomerid = 50201148   
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))
BDBM50201148
PNG
(CHEMBL3946971)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCCCC(O)CCCCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C31H46N6O/c1-35-18-20-36(21-19-35)23-25-12-14-26(15-13-25)29-24-37-17-9-5-7-11-27(38)10-6-3-2-4-8-16-32-31-33-22-28(29)30(37)34-31/h12-15,22,24,27,38H,2-11,16-21,23H2,1H3,(H,32,33,34)
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n/an/an/an/a 150n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50201148
PNG
(CHEMBL3946971)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCCCC(O)CCCCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C31H46N6O/c1-35-18-20-36(21-19-35)23-25-12-14-26(15-13-25)29-24-37-17-9-5-7-11-27(38)10-6-3-2-4-8-16-32-31-33-22-28(29)30(37)34-31/h12-15,22,24,27,38H,2-11,16-21,23H2,1H3,(H,32,33,34)
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n/an/a 38n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Tyro3 (unknown origin) by microfluidic capillary electrophoresis assay


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50201148
PNG
(CHEMBL3946971)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCCCC(O)CCCCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C31H46N6O/c1-35-18-20-36(21-19-35)23-25-12-14-26(15-13-25)29-24-37-17-9-5-7-11-27(38)10-6-3-2-4-8-16-32-31-33-22-28(29)30(37)34-31/h12-15,22,24,27,38H,2-11,16-21,23H2,1H3,(H,32,33,34)
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n/an/a 9.60n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Flt3 (unknown origin) by microfluidic capillary electrophoresis assay


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50201148
PNG
(CHEMBL3946971)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCCCC(O)CCCCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C31H46N6O/c1-35-18-20-36(21-19-35)23-25-12-14-26(15-13-25)29-24-37-17-9-5-7-11-27(38)10-6-3-2-4-8-16-32-31-33-22-28(29)30(37)34-31/h12-15,22,24,27,38H,2-11,16-21,23H2,1H3,(H,32,33,34)
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n/an/a 18n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Axl (unknown origin) by microfluidic capillary electrophoresis assay


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50201148
PNG
(CHEMBL3946971)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCCCC(O)CCCCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C31H46N6O/c1-35-18-20-36(21-19-35)23-25-12-14-26(15-13-25)29-24-37-17-9-5-7-11-27(38)10-6-3-2-4-8-16-32-31-33-22-28(29)30(37)34-31/h12-15,22,24,27,38H,2-11,16-21,23H2,1H3,(H,32,33,34)
PDB
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Reactome pathway
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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MerTK (unknown origin) by microfluidic capillary electrophoresis assay


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair