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BDBM50469354 CHEMBL4286701

SMILES: CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2C3CCC2CC3)cc1

InChI Key: InChIKey=WBAXZSZODFIDGK-AAPCFVOKSA-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 = 50469354   
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 TYRO3


(Homo sapiens (Human))
BDBM50469354
PNG
(CHEMBL4286701)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2C3CCC2CC3)cc1 |r,wU:13.12,wD:16.16,3.3,(1.56,-13,;2.9,-12.23,;4.23,-13,;5.56,-12.23,;5.57,-10.69,;6.9,-13,;8.23,-12.23,;8.23,-10.69,;9.56,-9.92,;10.9,-10.68,;12.37,-10.2,;13.29,-11.45,;12.37,-12.71,;13.12,-14.05,;14.66,-14.08,;15.4,-15.43,;14.6,-16.75,;15.34,-18.1,;13.06,-16.71,;12.32,-15.37,;10.9,-12.23,;9.57,-13,;13.09,-8.84,;14.63,-8.78,;15.34,-7.41,;14.51,-6.11,;15.23,-4.75,;16.76,-4.68,;19.39,-4.51,;20.2,-5.75,;19.01,-5.26,;18.13,-4.25,;18.77,-2.81,;19.88,-3.2,;12.97,-6.18,;12.26,-7.55,)|
Show InChI InChI=1S/C30H41N5O/c1-3-4-20(2)32-30-31-17-27-28(19-35(29(27)33-30)25-13-15-26(36)16-14-25)22-7-5-21(6-8-22)18-34-23-9-10-24(34)12-11-23/h5-8,17,19-20,23-26,36H,3-4,9-16,18H2,1-2H3,(H,31,32,33)/t20-,23?,24?,25-,26-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



UNC Eshelman School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of TYRO3 (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay


J Med Chem 61: 10242-10254 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50469354
PNG
(CHEMBL4286701)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2C3CCC2CC3)cc1 |r,wU:13.12,wD:16.16,3.3,(1.56,-13,;2.9,-12.23,;4.23,-13,;5.56,-12.23,;5.57,-10.69,;6.9,-13,;8.23,-12.23,;8.23,-10.69,;9.56,-9.92,;10.9,-10.68,;12.37,-10.2,;13.29,-11.45,;12.37,-12.71,;13.12,-14.05,;14.66,-14.08,;15.4,-15.43,;14.6,-16.75,;15.34,-18.1,;13.06,-16.71,;12.32,-15.37,;10.9,-12.23,;9.57,-13,;13.09,-8.84,;14.63,-8.78,;15.34,-7.41,;14.51,-6.11,;15.23,-4.75,;16.76,-4.68,;19.39,-4.51,;20.2,-5.75,;19.01,-5.26,;18.13,-4.25,;18.77,-2.81,;19.88,-3.2,;12.97,-6.18,;12.26,-7.55,)|
Show InChI InChI=1S/C30H41N5O/c1-3-4-20(2)32-30-31-17-27-28(19-35(29(27)33-30)25-13-15-26(36)16-14-25)22-7-5-21(6-8-22)18-34-23-9-10-24(34)12-11-23/h5-8,17,19-20,23-26,36H,3-4,9-16,18H2,1-2H3,(H,31,32,33)/t20-,23?,24?,25-,26-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC sid
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n/an/a 19n/an/an/an/an/an/a



UNC Eshelman School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) using 5'-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by MCE assay


J Med Chem 61: 10242-10254 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50469354
PNG
(CHEMBL4286701)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2C3CCC2CC3)cc1 |r,wU:13.12,wD:16.16,3.3,(1.56,-13,;2.9,-12.23,;4.23,-13,;5.56,-12.23,;5.57,-10.69,;6.9,-13,;8.23,-12.23,;8.23,-10.69,;9.56,-9.92,;10.9,-10.68,;12.37,-10.2,;13.29,-11.45,;12.37,-12.71,;13.12,-14.05,;14.66,-14.08,;15.4,-15.43,;14.6,-16.75,;15.34,-18.1,;13.06,-16.71,;12.32,-15.37,;10.9,-12.23,;9.57,-13,;13.09,-8.84,;14.63,-8.78,;15.34,-7.41,;14.51,-6.11,;15.23,-4.75,;16.76,-4.68,;19.39,-4.51,;20.2,-5.75,;19.01,-5.26,;18.13,-4.25,;18.77,-2.81,;19.88,-3.2,;12.97,-6.18,;12.26,-7.55,)|
Show InChI InChI=1S/C30H41N5O/c1-3-4-20(2)32-30-31-17-27-28(19-35(29(27)33-30)25-13-15-26(36)16-14-25)22-7-5-21(6-8-22)18-34-23-9-10-24(34)12-11-23/h5-8,17,19-20,23-26,36H,3-4,9-16,18H2,1-2H3,(H,31,32,33)/t20-,23?,24?,25-,26-/m0/s1
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B.MOAD
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PC cid
PC sid
UniChem
Article
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n/an/a 84n/an/an/an/an/an/a



UNC Eshelman School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of AXL (unknown origin) using 5'-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by MCE assay


J Med Chem 61: 10242-10254 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50469354
PNG
(CHEMBL4286701)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2C3CCC2CC3)cc1 |r,wU:13.12,wD:16.16,3.3,(1.56,-13,;2.9,-12.23,;4.23,-13,;5.56,-12.23,;5.57,-10.69,;6.9,-13,;8.23,-12.23,;8.23,-10.69,;9.56,-9.92,;10.9,-10.68,;12.37,-10.2,;13.29,-11.45,;12.37,-12.71,;13.12,-14.05,;14.66,-14.08,;15.4,-15.43,;14.6,-16.75,;15.34,-18.1,;13.06,-16.71,;12.32,-15.37,;10.9,-12.23,;9.57,-13,;13.09,-8.84,;14.63,-8.78,;15.34,-7.41,;14.51,-6.11,;15.23,-4.75,;16.76,-4.68,;19.39,-4.51,;20.2,-5.75,;19.01,-5.26,;18.13,-4.25,;18.77,-2.81,;19.88,-3.2,;12.97,-6.18,;12.26,-7.55,)|
Show InChI InChI=1S/C30H41N5O/c1-3-4-20(2)32-30-31-17-27-28(19-35(29(27)33-30)25-13-15-26(36)16-14-25)22-7-5-21(6-8-22)18-34-23-9-10-24(34)12-11-23/h5-8,17,19-20,23-26,36H,3-4,9-16,18H2,1-2H3,(H,31,32,33)/t20-,23?,24?,25-,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



UNC Eshelman School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay


J Med Chem 61: 10242-10254 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK
More data for this
Ligand-Target Pair