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BDBM50469362 CHEMBL4293116

SMILES: CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1cnn(c1)C1CCNCC1

InChI Key: InChIKey=VHIPJRRFLDFKSD-CUWPLCDZSA-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 = 50469362   
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))
BDBM50469362
PNG
(CHEMBL4293116)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1cnn(c1)C1CCNCC1 |r,wU:13.12,wD:16.16,3.3,(3.25,-24.71,;4.58,-23.95,;5.92,-24.72,;7.25,-23.95,;7.25,-22.41,;8.58,-24.72,;9.92,-23.95,;9.92,-22.41,;11.25,-21.64,;12.59,-22.4,;14.06,-21.92,;14.97,-23.17,;14.06,-24.43,;14.81,-25.77,;16.34,-25.79,;17.09,-27.15,;16.29,-28.47,;17.03,-29.82,;14.75,-28.43,;14.01,-27.09,;12.59,-23.95,;11.25,-24.72,;14.77,-20.56,;14.08,-19.18,;15.18,-18.1,;16.55,-18.81,;16.29,-20.33,;17.92,-18.14,;19.2,-18.99,;20.58,-18.31,;20.68,-16.78,;19.4,-15.92,;18.01,-16.6,)|
Show InChI InChI=1S/C25H37N7O/c1-3-4-17(2)29-25-27-14-22-23(18-13-28-32(15-18)20-9-11-26-12-10-20)16-31(24(22)30-25)19-5-7-21(33)8-6-19/h13-17,19-21,26,33H,3-12H2,1-2H3,(H,27,29,30)/t17-,19-,21-/m0/s1
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n/an/a 24n/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 receptor UFO


(Homo sapiens (Human))
BDBM50469362
PNG
(CHEMBL4293116)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1cnn(c1)C1CCNCC1 |r,wU:13.12,wD:16.16,3.3,(3.25,-24.71,;4.58,-23.95,;5.92,-24.72,;7.25,-23.95,;7.25,-22.41,;8.58,-24.72,;9.92,-23.95,;9.92,-22.41,;11.25,-21.64,;12.59,-22.4,;14.06,-21.92,;14.97,-23.17,;14.06,-24.43,;14.81,-25.77,;16.34,-25.79,;17.09,-27.15,;16.29,-28.47,;17.03,-29.82,;14.75,-28.43,;14.01,-27.09,;12.59,-23.95,;11.25,-24.72,;14.77,-20.56,;14.08,-19.18,;15.18,-18.1,;16.55,-18.81,;16.29,-20.33,;17.92,-18.14,;19.2,-18.99,;20.58,-18.31,;20.68,-16.78,;19.4,-15.92,;18.01,-16.6,)|
Show InChI InChI=1S/C25H37N7O/c1-3-4-17(2)29-25-27-14-22-23(18-13-28-32(15-18)20-9-11-26-12-10-20)16-31(24(22)30-25)19-5-7-21(33)8-6-19/h13-17,19-21,26,33H,3-12H2,1-2H3,(H,27,29,30)/t17-,19-,21-/m0/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem
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n/an/a 161n/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))
BDBM50469362
PNG
(CHEMBL4293116)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1cnn(c1)C1CCNCC1 |r,wU:13.12,wD:16.16,3.3,(3.25,-24.71,;4.58,-23.95,;5.92,-24.72,;7.25,-23.95,;7.25,-22.41,;8.58,-24.72,;9.92,-23.95,;9.92,-22.41,;11.25,-21.64,;12.59,-22.4,;14.06,-21.92,;14.97,-23.17,;14.06,-24.43,;14.81,-25.77,;16.34,-25.79,;17.09,-27.15,;16.29,-28.47,;17.03,-29.82,;14.75,-28.43,;14.01,-27.09,;12.59,-23.95,;11.25,-24.72,;14.77,-20.56,;14.08,-19.18,;15.18,-18.1,;16.55,-18.81,;16.29,-20.33,;17.92,-18.14,;19.2,-18.99,;20.58,-18.31,;20.68,-16.78,;19.4,-15.92,;18.01,-16.6,)|
Show InChI InChI=1S/C25H37N7O/c1-3-4-17(2)29-25-27-14-22-23(18-13-28-32(15-18)20-9-11-26-12-10-20)16-31(24(22)30-25)19-5-7-21(33)8-6-19/h13-17,19-21,26,33H,3-12H2,1-2H3,(H,27,29,30)/t17-,19-,21-/m0/s1
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n/an/a 2.20n/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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50469362
PNG
(CHEMBL4293116)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1cnn(c1)C1CCNCC1 |r,wU:13.12,wD:16.16,3.3,(3.25,-24.71,;4.58,-23.95,;5.92,-24.72,;7.25,-23.95,;7.25,-22.41,;8.58,-24.72,;9.92,-23.95,;9.92,-22.41,;11.25,-21.64,;12.59,-22.4,;14.06,-21.92,;14.97,-23.17,;14.06,-24.43,;14.81,-25.77,;16.34,-25.79,;17.09,-27.15,;16.29,-28.47,;17.03,-29.82,;14.75,-28.43,;14.01,-27.09,;12.59,-23.95,;11.25,-24.72,;14.77,-20.56,;14.08,-19.18,;15.18,-18.1,;16.55,-18.81,;16.29,-20.33,;17.92,-18.14,;19.2,-18.99,;20.58,-18.31,;20.68,-16.78,;19.4,-15.92,;18.01,-16.6,)|
Show InChI InChI=1S/C25H37N7O/c1-3-4-17(2)29-25-27-14-22-23(18-13-28-32(15-18)20-9-11-26-12-10-20)16-31(24(22)30-25)19-5-7-21(33)8-6-19/h13-17,19-21,26,33H,3-12H2,1-2H3,(H,27,29,30)/t17-,19-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 45n/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