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BDBM50469367 CHEMBL4294601

SMILES: CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CC[C@@H](C2)N(C)C)cc1

InChI Key: InChIKey=JLSYAJGCSIAVIW-PZYJALBSSA-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 = 50469367   
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))
BDBM50469367
PNG
(CHEMBL4294601)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CC[C@@H](C2)N(C)C)cc1 |r,wU:13.12,30.35,wD:16.16,3.3,(-.72,-25.42,;.63,-24.65,;1.96,-25.42,;3.29,-24.65,;3.29,-23.11,;4.63,-25.42,;5.96,-24.65,;5.96,-23.11,;7.29,-22.34,;8.63,-23.1,;10.1,-22.62,;11.01,-23.88,;10.1,-25.13,;10.85,-26.47,;12.39,-26.5,;13.13,-27.85,;12.33,-29.17,;13.07,-30.52,;10.79,-29.14,;10.05,-27.79,;8.63,-24.65,;7.3,-25.42,;10.82,-21.26,;12.36,-21.2,;13.07,-19.84,;12.24,-18.53,;12.95,-17.17,;14.49,-17.1,;15.45,-18.3,;16.9,-17.76,;16.83,-16.22,;15.35,-15.81,;18.04,-15.26,;19.47,-15.83,;17.81,-13.74,;10.7,-18.6,;9.99,-19.97,)|
Show InChI InChI=1S/C30H44N6O/c1-5-6-21(2)32-30-31-17-27-28(20-36(29(27)33-30)24-11-13-26(37)14-12-24)23-9-7-22(8-10-23)18-35-16-15-25(19-35)34(3)4/h7-10,17,20-21,24-26,37H,5-6,11-16,18-19H2,1-4H3,(H,31,32,33)/t21-,24-,25-,26-/m0/s1
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MMDB

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n/an/a 4.10n/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
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50469367
PNG
(CHEMBL4294601)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CC[C@@H](C2)N(C)C)cc1 |r,wU:13.12,30.35,wD:16.16,3.3,(-.72,-25.42,;.63,-24.65,;1.96,-25.42,;3.29,-24.65,;3.29,-23.11,;4.63,-25.42,;5.96,-24.65,;5.96,-23.11,;7.29,-22.34,;8.63,-23.1,;10.1,-22.62,;11.01,-23.88,;10.1,-25.13,;10.85,-26.47,;12.39,-26.5,;13.13,-27.85,;12.33,-29.17,;13.07,-30.52,;10.79,-29.14,;10.05,-27.79,;8.63,-24.65,;7.3,-25.42,;10.82,-21.26,;12.36,-21.2,;13.07,-19.84,;12.24,-18.53,;12.95,-17.17,;14.49,-17.1,;15.45,-18.3,;16.9,-17.76,;16.83,-16.22,;15.35,-15.81,;18.04,-15.26,;19.47,-15.83,;17.81,-13.74,;10.7,-18.6,;9.99,-19.97,)|
Show InChI InChI=1S/C30H44N6O/c1-5-6-21(2)32-30-31-17-27-28(20-36(29(27)33-30)24-11-13-26(37)14-12-24)23-9-7-22(8-10-23)18-35-16-15-25(19-35)34(3)4/h7-10,17,20-21,24-26,37H,5-6,11-16,18-19H2,1-4H3,(H,31,32,33)/t21-,24-,25-,26-/m0/s1
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n/an/a 152n/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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50469367
PNG
(CHEMBL4294601)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CC[C@@H](C2)N(C)C)cc1 |r,wU:13.12,30.35,wD:16.16,3.3,(-.72,-25.42,;.63,-24.65,;1.96,-25.42,;3.29,-24.65,;3.29,-23.11,;4.63,-25.42,;5.96,-24.65,;5.96,-23.11,;7.29,-22.34,;8.63,-23.1,;10.1,-22.62,;11.01,-23.88,;10.1,-25.13,;10.85,-26.47,;12.39,-26.5,;13.13,-27.85,;12.33,-29.17,;13.07,-30.52,;10.79,-29.14,;10.05,-27.79,;8.63,-24.65,;7.3,-25.42,;10.82,-21.26,;12.36,-21.2,;13.07,-19.84,;12.24,-18.53,;12.95,-17.17,;14.49,-17.1,;15.45,-18.3,;16.9,-17.76,;16.83,-16.22,;15.35,-15.81,;18.04,-15.26,;19.47,-15.83,;17.81,-13.74,;10.7,-18.6,;9.99,-19.97,)|
Show InChI InChI=1S/C30H44N6O/c1-5-6-21(2)32-30-31-17-27-28(20-36(29(27)33-30)24-11-13-26(37)14-12-24)23-9-7-22(8-10-23)18-35-16-15-25(19-35)34(3)4/h7-10,17,20-21,24-26,37H,5-6,11-16,18-19H2,1-4H3,(H,31,32,33)/t21-,24-,25-,26-/m0/s1
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n/an/a 51n/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 TYRO3


(Homo sapiens (Human))
BDBM50469367
PNG
(CHEMBL4294601)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CC[C@@H](C2)N(C)C)cc1 |r,wU:13.12,30.35,wD:16.16,3.3,(-.72,-25.42,;.63,-24.65,;1.96,-25.42,;3.29,-24.65,;3.29,-23.11,;4.63,-25.42,;5.96,-24.65,;5.96,-23.11,;7.29,-22.34,;8.63,-23.1,;10.1,-22.62,;11.01,-23.88,;10.1,-25.13,;10.85,-26.47,;12.39,-26.5,;13.13,-27.85,;12.33,-29.17,;13.07,-30.52,;10.79,-29.14,;10.05,-27.79,;8.63,-24.65,;7.3,-25.42,;10.82,-21.26,;12.36,-21.2,;13.07,-19.84,;12.24,-18.53,;12.95,-17.17,;14.49,-17.1,;15.45,-18.3,;16.9,-17.76,;16.83,-16.22,;15.35,-15.81,;18.04,-15.26,;19.47,-15.83,;17.81,-13.74,;10.7,-18.6,;9.99,-19.97,)|
Show InChI InChI=1S/C30H44N6O/c1-5-6-21(2)32-30-31-17-27-28(20-36(29(27)33-30)24-11-13-26(37)14-12-24)23-9-7-22(8-10-23)18-35-16-15-25(19-35)34(3)4/h7-10,17,20-21,24-26,37H,5-6,11-16,18-19H2,1-4H3,(H,31,32,33)/t21-,24-,25-,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/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