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BDBM50444253 CHEMBL3093648

SMILES: CCCCNc1ncc(C(=O)NC2CCN(CC2)c2ncccn2)c(N[C@H]2CC[C@H](O)CC2)n1

InChI Key: InChIKey=DKLRVMHGCQHXBG-UAPYVXQJSA-N

Data: 3 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 3 hits for monomerid = 50444253   
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))
BDBM50444253
PNG
(CHEMBL3093648)
Show SMILES CCCCNc1ncc(C(=O)NC2CCN(CC2)c2ncccn2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(19.76,-36.09,;21.1,-35.32,;22.43,-36.09,;23.76,-35.32,;25.1,-36.09,;26.43,-35.32,;27.76,-36.09,;29.1,-35.32,;29.1,-33.77,;30.43,-33,;30.42,-31.46,;31.76,-33.76,;33.09,-32.99,;34.43,-33.76,;35.76,-32.99,;35.76,-31.45,;34.42,-30.68,;33.08,-31.45,;37.09,-30.68,;38.42,-31.45,;39.75,-30.68,;39.75,-29.14,;38.41,-28.37,;37.08,-29.14,;27.76,-33.01,;27.76,-31.47,;26.42,-30.7,;25.09,-31.48,;23.75,-30.71,;23.75,-29.16,;22.42,-28.39,;25.08,-28.4,;26.41,-29.16,;26.43,-33.78,)|
Show InChI InChI=1S/C24H36N8O2/c1-2-3-11-25-23-28-16-20(21(31-23)29-17-5-7-19(33)8-6-17)22(34)30-18-9-14-32(15-10-18)24-26-12-4-13-27-24/h4,12-13,16-19,33H,2-3,5-11,14-15H2,1H3,(H,30,34)(H2,25,28,29,31)/t17-,19-
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n/an/a 4.10n/an/an/an/an/an/a



Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh

Curated by ChEMBL


Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay


J Med Chem 56: 9693-700 (2014)


Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50444253
PNG
(CHEMBL3093648)
Show SMILES CCCCNc1ncc(C(=O)NC2CCN(CC2)c2ncccn2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(19.76,-36.09,;21.1,-35.32,;22.43,-36.09,;23.76,-35.32,;25.1,-36.09,;26.43,-35.32,;27.76,-36.09,;29.1,-35.32,;29.1,-33.77,;30.43,-33,;30.42,-31.46,;31.76,-33.76,;33.09,-32.99,;34.43,-33.76,;35.76,-32.99,;35.76,-31.45,;34.42,-30.68,;33.08,-31.45,;37.09,-30.68,;38.42,-31.45,;39.75,-30.68,;39.75,-29.14,;38.41,-28.37,;37.08,-29.14,;27.76,-33.01,;27.76,-31.47,;26.42,-30.7,;25.09,-31.48,;23.75,-30.71,;23.75,-29.16,;22.42,-28.39,;25.08,-28.4,;26.41,-29.16,;26.43,-33.78,)|
Show InChI InChI=1S/C24H36N8O2/c1-2-3-11-25-23-28-16-20(21(31-23)29-17-5-7-19(33)8-6-17)22(34)30-18-9-14-32(15-10-18)24-26-12-4-13-27-24/h4,12-13,16-19,33H,2-3,5-11,14-15H2,1H3,(H,30,34)(H2,25,28,29,31)/t17-,19-
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n/an/a 560n/an/an/an/an/an/a



Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh

Curated by ChEMBL


Assay Description
Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay


J Med Chem 56: 9693-700 (2014)


Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50444253
PNG
(CHEMBL3093648)
Show SMILES CCCCNc1ncc(C(=O)NC2CCN(CC2)c2ncccn2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(19.76,-36.09,;21.1,-35.32,;22.43,-36.09,;23.76,-35.32,;25.1,-36.09,;26.43,-35.32,;27.76,-36.09,;29.1,-35.32,;29.1,-33.77,;30.43,-33,;30.42,-31.46,;31.76,-33.76,;33.09,-32.99,;34.43,-33.76,;35.76,-32.99,;35.76,-31.45,;34.42,-30.68,;33.08,-31.45,;37.09,-30.68,;38.42,-31.45,;39.75,-30.68,;39.75,-29.14,;38.41,-28.37,;37.08,-29.14,;27.76,-33.01,;27.76,-31.47,;26.42,-30.7,;25.09,-31.48,;23.75,-30.71,;23.75,-29.16,;22.42,-28.39,;25.08,-28.4,;26.41,-29.16,;26.43,-33.78,)|
Show InChI InChI=1S/C24H36N8O2/c1-2-3-11-25-23-28-16-20(21(31-23)29-17-5-7-19(33)8-6-17)22(34)30-18-9-14-32(15-10-18)24-26-12-4-13-27-24/h4,12-13,16-19,33H,2-3,5-11,14-15H2,1H3,(H,30,34)(H2,25,28,29,31)/t17-,19-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh

Curated by ChEMBL


Assay Description
Inhibition of Tyro-3 kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis as...


J Med Chem 56: 9693-700 (2014)


Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1
More data for this
Ligand-Target Pair