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BDBM50384605 CHEMBL2036798::US9744172, Compound UNC00000465A

SMILES: NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NC4CCC4)nc23)CC1

InChI Key: InChIKey=NKPYAWCAMKAQPM-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 = 50384605   
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 receptor UFO


(Homo sapiens (Human))
BDBM50384605
PNG
(CHEMBL2036798 | US9744172, Compound UNC00000465A)
Show SMILES NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NC4CCC4)nc23)CC1 |(61.71,-49.99,;62.75,-48.84,;62.28,-47.38,;63.31,-46.24,;64.82,-46.57,;65.85,-45.43,;65.37,-43.96,;66.28,-42.71,;65.37,-41.45,;65.85,-39.99,;67.35,-39.67,;67.83,-38.21,;66.8,-37.06,;65.29,-37.39,;64.82,-38.85,;63.9,-41.93,;62.56,-41.17,;61.23,-41.94,;61.23,-43.48,;59.9,-44.25,;58.56,-43.48,;58.17,-41.99,;56.68,-42.39,;57.08,-43.88,;62.56,-44.25,;63.9,-43.48,;65.3,-48.02,;64.26,-49.17,)|
Show InChI InChI=1S/C22H28N6/c23-17-11-9-15(10-12-17)14-28-21-19(20(27-28)16-5-2-1-3-6-16)13-24-22(26-21)25-18-7-4-8-18/h1-3,5-6,13,15,17-18H,4,7-12,14,23H2,(H,24,25,26)
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n/an/a 360n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384605
PNG
(CHEMBL2036798 | US9744172, Compound UNC00000465A)
Show SMILES NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NC4CCC4)nc23)CC1 |(61.71,-49.99,;62.75,-48.84,;62.28,-47.38,;63.31,-46.24,;64.82,-46.57,;65.85,-45.43,;65.37,-43.96,;66.28,-42.71,;65.37,-41.45,;65.85,-39.99,;67.35,-39.67,;67.83,-38.21,;66.8,-37.06,;65.29,-37.39,;64.82,-38.85,;63.9,-41.93,;62.56,-41.17,;61.23,-41.94,;61.23,-43.48,;59.9,-44.25,;58.56,-43.48,;58.17,-41.99,;56.68,-42.39,;57.08,-43.88,;62.56,-44.25,;63.9,-43.48,;65.3,-48.02,;64.26,-49.17,)|
Show InChI InChI=1S/C22H28N6/c23-17-11-9-15(10-12-17)14-28-21-19(20(27-28)16-5-2-1-3-6-16)13-24-22(26-21)25-18-7-4-8-18/h1-3,5-6,13,15,17-18H,4,7-12,14,23H2,(H,24,25,26)
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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
The ectopic expression of Mer receptor tyrosine kinase (Mer) has been identified as a tumor cell survival gene product in Acute Lymphoblastic Leukemi...


US Patent US9744172 (2017)


BindingDB Entry DOI: 10.7270/Q2PR7Z30
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384605
PNG
(CHEMBL2036798 | US9744172, Compound UNC00000465A)
Show SMILES NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NC4CCC4)nc23)CC1 |(61.71,-49.99,;62.75,-48.84,;62.28,-47.38,;63.31,-46.24,;64.82,-46.57,;65.85,-45.43,;65.37,-43.96,;66.28,-42.71,;65.37,-41.45,;65.85,-39.99,;67.35,-39.67,;67.83,-38.21,;66.8,-37.06,;65.29,-37.39,;64.82,-38.85,;63.9,-41.93,;62.56,-41.17,;61.23,-41.94,;61.23,-43.48,;59.9,-44.25,;58.56,-43.48,;58.17,-41.99,;56.68,-42.39,;57.08,-43.88,;62.56,-44.25,;63.9,-43.48,;65.3,-48.02,;64.26,-49.17,)|
Show InChI InChI=1S/C22H28N6/c23-17-11-9-15(10-12-17)14-28-21-19(20(27-28)16-5-2-1-3-6-16)13-24-22(26-21)25-18-7-4-8-18/h1-3,5-6,13,15,17-18H,4,7-12,14,23H2,(H,24,25,26)
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n/an/a 62n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr...


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50384605
PNG
(CHEMBL2036798 | US9744172, Compound UNC00000465A)
Show SMILES NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NC4CCC4)nc23)CC1 |(61.71,-49.99,;62.75,-48.84,;62.28,-47.38,;63.31,-46.24,;64.82,-46.57,;65.85,-45.43,;65.37,-43.96,;66.28,-42.71,;65.37,-41.45,;65.85,-39.99,;67.35,-39.67,;67.83,-38.21,;66.8,-37.06,;65.29,-37.39,;64.82,-38.85,;63.9,-41.93,;62.56,-41.17,;61.23,-41.94,;61.23,-43.48,;59.9,-44.25,;58.56,-43.48,;58.17,-41.99,;56.68,-42.39,;57.08,-43.88,;62.56,-44.25,;63.9,-43.48,;65.3,-48.02,;64.26,-49.17,)|
Show InChI InChI=1S/C22H28N6/c23-17-11-9-15(10-12-17)14-28-21-19(20(27-28)16-5-2-1-3-6-16)13-24-22(26-21)25-18-7-4-8-18/h1-3,5-6,13,15,17-18H,4,7-12,14,23H2,(H,24,25,26)
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n/an/a 450n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair