BindingDB logo
myBDB logout

BDBM50469358 CHEMBL4277564

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

InChI Key: InChIKey=FCDFAUPFHSOSFR-HRNNMHKYSA-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 = 50469358   
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))
BDBM50469358
PNG
(CHEMBL4277564)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CNCCN(CC)CC)cc1 |r,wU:13.12,wD:16.16,3.3,(2.68,-16.5,;4.01,-15.73,;5.34,-16.5,;6.68,-15.73,;6.68,-14.19,;8.01,-16.5,;9.34,-15.73,;9.35,-14.19,;10.67,-13.42,;12.01,-14.18,;13.49,-13.7,;14.4,-14.95,;13.49,-16.21,;14.23,-17.55,;15.77,-17.58,;16.51,-18.93,;15.71,-20.25,;16.46,-21.6,;14.17,-20.21,;13.44,-18.87,;12.01,-15.73,;10.68,-16.5,;14.2,-12.34,;15.74,-12.28,;16.45,-10.91,;15.63,-9.61,;16.34,-8.25,;17.89,-8.19,;18.71,-9.49,;20.25,-9.43,;21.07,-10.73,;20.36,-12.09,;18.82,-12.15,;22.61,-10.66,;23.33,-9.3,;14.08,-9.68,;13.37,-11.05,)|
Show InChI InChI=1S/C30H46N6O/c1-5-8-22(4)33-30-32-20-27-28(21-36(29(27)34-30)25-13-15-26(37)16-14-25)24-11-9-23(10-12-24)19-31-17-18-35(6-2)7-3/h9-12,20-22,25-26,31,37H,5-8,13-19H2,1-4H3,(H,32,33,34)/t22-,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 2.5n/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))
BDBM50469358
PNG
(CHEMBL4277564)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CNCCN(CC)CC)cc1 |r,wU:13.12,wD:16.16,3.3,(2.68,-16.5,;4.01,-15.73,;5.34,-16.5,;6.68,-15.73,;6.68,-14.19,;8.01,-16.5,;9.34,-15.73,;9.35,-14.19,;10.67,-13.42,;12.01,-14.18,;13.49,-13.7,;14.4,-14.95,;13.49,-16.21,;14.23,-17.55,;15.77,-17.58,;16.51,-18.93,;15.71,-20.25,;16.46,-21.6,;14.17,-20.21,;13.44,-18.87,;12.01,-15.73,;10.68,-16.5,;14.2,-12.34,;15.74,-12.28,;16.45,-10.91,;15.63,-9.61,;16.34,-8.25,;17.89,-8.19,;18.71,-9.49,;20.25,-9.43,;21.07,-10.73,;20.36,-12.09,;18.82,-12.15,;22.61,-10.66,;23.33,-9.3,;14.08,-9.68,;13.37,-11.05,)|
Show InChI InChI=1S/C30H46N6O/c1-5-8-22(4)33-30-32-20-27-28(21-36(29(27)34-30)25-13-15-26(37)16-14-25)24-11-9-23(10-12-24)19-31-17-18-35(6-2)7-3/h9-12,20-22,25-26,31,37H,5-8,13-19H2,1-4H3,(H,32,33,34)/t22-,25-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/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))
BDBM50469358
PNG
(CHEMBL4277564)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CNCCN(CC)CC)cc1 |r,wU:13.12,wD:16.16,3.3,(2.68,-16.5,;4.01,-15.73,;5.34,-16.5,;6.68,-15.73,;6.68,-14.19,;8.01,-16.5,;9.34,-15.73,;9.35,-14.19,;10.67,-13.42,;12.01,-14.18,;13.49,-13.7,;14.4,-14.95,;13.49,-16.21,;14.23,-17.55,;15.77,-17.58,;16.51,-18.93,;15.71,-20.25,;16.46,-21.6,;14.17,-20.21,;13.44,-18.87,;12.01,-15.73,;10.68,-16.5,;14.2,-12.34,;15.74,-12.28,;16.45,-10.91,;15.63,-9.61,;16.34,-8.25,;17.89,-8.19,;18.71,-9.49,;20.25,-9.43,;21.07,-10.73,;20.36,-12.09,;18.82,-12.15,;22.61,-10.66,;23.33,-9.3,;14.08,-9.68,;13.37,-11.05,)|
Show InChI InChI=1S/C30H46N6O/c1-5-8-22(4)33-30-32-20-27-28(21-36(29(27)34-30)25-13-15-26(37)16-14-25)24-11-9-23(10-12-24)19-31-17-18-35(6-2)7-3/h9-12,20-22,25-26,31,37H,5-8,13-19H2,1-4H3,(H,32,33,34)/t22-,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 49n/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))
BDBM50469358
PNG
(CHEMBL4277564)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CNCCN(CC)CC)cc1 |r,wU:13.12,wD:16.16,3.3,(2.68,-16.5,;4.01,-15.73,;5.34,-16.5,;6.68,-15.73,;6.68,-14.19,;8.01,-16.5,;9.34,-15.73,;9.35,-14.19,;10.67,-13.42,;12.01,-14.18,;13.49,-13.7,;14.4,-14.95,;13.49,-16.21,;14.23,-17.55,;15.77,-17.58,;16.51,-18.93,;15.71,-20.25,;16.46,-21.6,;14.17,-20.21,;13.44,-18.87,;12.01,-15.73,;10.68,-16.5,;14.2,-12.34,;15.74,-12.28,;16.45,-10.91,;15.63,-9.61,;16.34,-8.25,;17.89,-8.19,;18.71,-9.49,;20.25,-9.43,;21.07,-10.73,;20.36,-12.09,;18.82,-12.15,;22.61,-10.66,;23.33,-9.3,;14.08,-9.68,;13.37,-11.05,)|
Show InChI InChI=1S/C30H46N6O/c1-5-8-22(4)33-30-32-20-27-28(21-36(29(27)34-30)25-13-15-26(37)16-14-25)24-11-9-23(10-12-24)19-31-17-18-35(6-2)7-3/h9-12,20-22,25-26,31,37H,5-8,13-19H2,1-4H3,(H,32,33,34)/t22-,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 4.40n/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