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BDBM50444043 CHEMBL3092784

SMILES: OCCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1

InChI Key: InChIKey=RTLVYUQCERXOJO-SHTZXODSSA-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 = 50444043   
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))
BDBM50444043
PNG
(CHEMBL3092784)
Show SMILES OCCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:12.11,wD:15.15,(50.03,-56.64,;51.36,-57.41,;52.7,-56.64,;54.03,-57.41,;55.36,-56.64,;56.7,-57.41,;58.03,-56.64,;59.37,-57.41,;60.7,-56.64,;60.7,-55.09,;59.36,-54.33,;59.36,-52.79,;58.02,-52.02,;56.7,-52.79,;55.36,-52.02,;55.36,-50.48,;54.03,-49.7,;56.69,-49.71,;58.02,-50.47,;58.03,-55.1,;62.03,-54.32,;63.36,-55.09,;64.69,-54.31,;64.69,-52.77,;63.34,-52.01,;62.03,-52.78,)|
Show InChI InChI=1S/C19H27N5O2/c25-12-4-3-11-21-19-22-13-16(17-5-1-2-10-20-17)18(24-19)23-14-6-8-15(26)9-7-14/h1-2,5,10,13-15,25-26H,3-4,6-9,11-12H2,(H2,21,22,23,24)/t14-,15-
PDB
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Article
PubMed
n/an/a 2.93E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

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: 9683-92 (2014)


Article DOI: 10.1021/jm401387j
BindingDB Entry DOI: 10.7270/Q29W0GX8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50444043
PNG
(CHEMBL3092784)
Show SMILES OCCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:12.11,wD:15.15,(50.03,-56.64,;51.36,-57.41,;52.7,-56.64,;54.03,-57.41,;55.36,-56.64,;56.7,-57.41,;58.03,-56.64,;59.37,-57.41,;60.7,-56.64,;60.7,-55.09,;59.36,-54.33,;59.36,-52.79,;58.02,-52.02,;56.7,-52.79,;55.36,-52.02,;55.36,-50.48,;54.03,-49.7,;56.69,-49.71,;58.02,-50.47,;58.03,-55.1,;62.03,-54.32,;63.36,-55.09,;64.69,-54.31,;64.69,-52.77,;63.34,-52.01,;62.03,-52.78,)|
Show InChI InChI=1S/C19H27N5O2/c25-12-4-3-11-21-19-22-13-16(17-5-1-2-10-20-17)18(24-19)23-14-6-8-15(26)9-7-14/h1-2,5,10,13-15,25-26H,3-4,6-9,11-12H2,(H2,21,22,23,24)/t14-,15-
PDB
MMDB

Reactome pathway
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UniChem

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Article
PubMed
n/an/a 44n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

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: 9683-92 (2014)


Article DOI: 10.1021/jm401387j
BindingDB Entry DOI: 10.7270/Q29W0GX8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50444043
PNG
(CHEMBL3092784)
Show SMILES OCCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:12.11,wD:15.15,(50.03,-56.64,;51.36,-57.41,;52.7,-56.64,;54.03,-57.41,;55.36,-56.64,;56.7,-57.41,;58.03,-56.64,;59.37,-57.41,;60.7,-56.64,;60.7,-55.09,;59.36,-54.33,;59.36,-52.79,;58.02,-52.02,;56.7,-52.79,;55.36,-52.02,;55.36,-50.48,;54.03,-49.7,;56.69,-49.71,;58.02,-50.47,;58.03,-55.1,;62.03,-54.32,;63.36,-55.09,;64.69,-54.31,;64.69,-52.77,;63.34,-52.01,;62.03,-52.78,)|
Show InChI InChI=1S/C19H27N5O2/c25-12-4-3-11-21-19-22-13-16(17-5-1-2-10-20-17)18(24-19)23-14-6-8-15(26)9-7-14/h1-2,5,10,13-15,25-26H,3-4,6-9,11-12H2,(H2,21,22,23,24)/t14-,15-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.46E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

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: 9683-92 (2014)


Article DOI: 10.1021/jm401387j
BindingDB Entry DOI: 10.7270/Q29W0GX8
More data for this
Ligand-Target Pair