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BDBM50469366 CHEMBL4282624

SMILES: CCCC(C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1

InChI Key: InChIKey=PGXKVCTXUZHTHO-ADSZBJKRSA-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 = 50469366   
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50469366
PNG
(CHEMBL4282624)
Show SMILES CCCC(C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,(1.79,-13.98,;3.12,-13.21,;4.46,-13.99,;5.79,-13.22,;5.79,-11.68,;7.12,-13.99,;8.46,-13.22,;8.46,-11.67,;9.79,-10.9,;11.12,-11.67,;12.6,-11.19,;13.51,-12.44,;12.6,-13.7,;13.35,-15.04,;14.88,-15.06,;15.63,-16.42,;14.83,-17.74,;15.57,-19.09,;13.29,-17.7,;12.55,-16.36,;11.12,-13.22,;9.79,-13.99,;13.31,-9.82,;14.85,-9.76,;15.56,-8.4,;14.74,-7.1,;15.45,-5.73,;16.99,-5.67,;17.81,-6.97,;19.34,-6.91,;20.06,-5.55,;21.6,-5.49,;19.24,-4.25,;17.7,-4.31,;13.19,-7.17,;12.49,-8.53,)|
Show InChI InChI=1S/C29H42N6O/c1-4-5-21(2)31-29-30-18-26-27(20-35(28(26)32-29)24-10-12-25(36)13-11-24)23-8-6-22(7-9-23)19-34-16-14-33(3)15-17-34/h6-9,18,20-21,24-25,36H,4-5,10-17,19H2,1-3H3,(H,30,31,32)/t21?,24-,25-
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n/an/a 109n/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))
BDBM50469366
PNG
(CHEMBL4282624)
Show SMILES CCCC(C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,(1.79,-13.98,;3.12,-13.21,;4.46,-13.99,;5.79,-13.22,;5.79,-11.68,;7.12,-13.99,;8.46,-13.22,;8.46,-11.67,;9.79,-10.9,;11.12,-11.67,;12.6,-11.19,;13.51,-12.44,;12.6,-13.7,;13.35,-15.04,;14.88,-15.06,;15.63,-16.42,;14.83,-17.74,;15.57,-19.09,;13.29,-17.7,;12.55,-16.36,;11.12,-13.22,;9.79,-13.99,;13.31,-9.82,;14.85,-9.76,;15.56,-8.4,;14.74,-7.1,;15.45,-5.73,;16.99,-5.67,;17.81,-6.97,;19.34,-6.91,;20.06,-5.55,;21.6,-5.49,;19.24,-4.25,;17.7,-4.31,;13.19,-7.17,;12.49,-8.53,)|
Show InChI InChI=1S/C29H42N6O/c1-4-5-21(2)31-29-30-18-26-27(20-35(28(26)32-29)24-10-12-25(36)13-11-24)23-8-6-22(7-9-23)19-34-16-14-33(3)15-17-34/h6-9,18,20-21,24-25,36H,4-5,10-17,19H2,1-3H3,(H,30,31,32)/t21?,24-,25-
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n/an/a 6.70n/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
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50469366
PNG
(CHEMBL4282624)
Show SMILES CCCC(C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,(1.79,-13.98,;3.12,-13.21,;4.46,-13.99,;5.79,-13.22,;5.79,-11.68,;7.12,-13.99,;8.46,-13.22,;8.46,-11.67,;9.79,-10.9,;11.12,-11.67,;12.6,-11.19,;13.51,-12.44,;12.6,-13.7,;13.35,-15.04,;14.88,-15.06,;15.63,-16.42,;14.83,-17.74,;15.57,-19.09,;13.29,-17.7,;12.55,-16.36,;11.12,-13.22,;9.79,-13.99,;13.31,-9.82,;14.85,-9.76,;15.56,-8.4,;14.74,-7.1,;15.45,-5.73,;16.99,-5.67,;17.81,-6.97,;19.34,-6.91,;20.06,-5.55,;21.6,-5.49,;19.24,-4.25,;17.7,-4.31,;13.19,-7.17,;12.49,-8.53,)|
Show InChI InChI=1S/C29H42N6O/c1-4-5-21(2)31-29-30-18-26-27(20-35(28(26)32-29)24-10-12-25(36)13-11-24)23-8-6-22(7-9-23)19-34-16-14-33(3)15-17-34/h6-9,18,20-21,24-25,36H,4-5,10-17,19H2,1-3H3,(H,30,31,32)/t21?,24-,25-
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n/an/a 3.5n/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))
BDBM50469366
PNG
(CHEMBL4282624)
Show SMILES CCCC(C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,(1.79,-13.98,;3.12,-13.21,;4.46,-13.99,;5.79,-13.22,;5.79,-11.68,;7.12,-13.99,;8.46,-13.22,;8.46,-11.67,;9.79,-10.9,;11.12,-11.67,;12.6,-11.19,;13.51,-12.44,;12.6,-13.7,;13.35,-15.04,;14.88,-15.06,;15.63,-16.42,;14.83,-17.74,;15.57,-19.09,;13.29,-17.7,;12.55,-16.36,;11.12,-13.22,;9.79,-13.99,;13.31,-9.82,;14.85,-9.76,;15.56,-8.4,;14.74,-7.1,;15.45,-5.73,;16.99,-5.67,;17.81,-6.97,;19.34,-6.91,;20.06,-5.55,;21.6,-5.49,;19.24,-4.25,;17.7,-4.31,;13.19,-7.17,;12.49,-8.53,)|
Show InChI InChI=1S/C29H42N6O/c1-4-5-21(2)31-29-30-18-26-27(20-35(28(26)32-29)24-10-12-25(36)13-11-24)23-8-6-22(7-9-23)19-34-16-14-33(3)15-17-34/h6-9,18,20-21,24-25,36H,4-5,10-17,19H2,1-3H3,(H,30,31,32)/t21?,24-,25-
PDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 125n/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