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BDBM50384576 CHEMBL2036808

SMILES: CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1

InChI Key: InChIKey=OGEBRHQLRGFBNV-RZDIXWSQSA-N

Data: 1 KI  7 IC50

PDB links: 1 PDB ID matches this monomer.

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 8 hits for monomerid = 50384576   
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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50384576
PNG
(CHEMBL2036808)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H29FN6/c1-2-3-12-25-22-26-13-19-20(16-6-8-17(23)9-7-16)28-29(21(19)27-22)14-15-4-10-18(24)11-5-15/h6-9,13,15,18H,2-5,10-12,14,24H2,1H3,(H,25,26,27)/t15-,18-
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4.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50384576
PNG
(CHEMBL2036808)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H29FN6/c1-2-3-12-25-22-26-13-19-20(16-6-8-17(23)9-7-16)28-29(21(19)27-22)14-15-4-10-18(24)11-5-15/h6-9,13,15,18H,2-5,10-12,14,24H2,1H3,(H,25,26,27)/t15-,18-
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Article
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n/an/a 2.90n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of MER (unknown origin)


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
AXL receptor tyrosine kinase


(Homo sapiens (Human))
BDBM50384576
PNG
(CHEMBL2036808)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H29FN6/c1-2-3-12-25-22-26-13-19-20(16-6-8-17(23)9-7-16)28-29(21(19)27-22)14-15-4-10-18(24)11-5-15/h6-9,13,15,18H,2-5,10-12,14,24H2,1H3,(H,25,26,27)/t15-,18-
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n/an/a 37n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of AXL (unknown origin)


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50384576
PNG
(CHEMBL2036808)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H29FN6/c1-2-3-12-25-22-26-13-19-20(16-6-8-17(23)9-7-16)28-29(21(19)27-22)14-15-4-10-18(24)11-5-15/h6-9,13,15,18H,2-5,10-12,14,24H2,1H3,(H,25,26,27)/t15-,18-
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n/an/a 141n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer autophosphorylation in human 697 cells pretreated for 1 hr before addition of phosphatase inhibitor measured by Western blot analys...


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
AXL receptor tyrosine kinase


(Homo sapiens (Human))
BDBM50384576
PNG
(CHEMBL2036808)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H29FN6/c1-2-3-12-25-22-26-13-19-20(16-6-8-17(23)9-7-16)28-29(21(19)27-22)14-15-4-10-18(24)11-5-15/h6-9,13,15,18H,2-5,10-12,14,24H2,1H3,(H,25,26,27)/t15-,18-
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n/an/a 37n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50384576
PNG
(CHEMBL2036808)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H29FN6/c1-2-3-12-25-22-26-13-19-20(16-6-8-17(23)9-7-16)28-29(21(19)27-22)14-15-4-10-18(24)11-5-15/h6-9,13,15,18H,2-5,10-12,14,24H2,1H3,(H,25,26,27)/t15-,18-
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n/an/a 48n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50384576
PNG
(CHEMBL2036808)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H29FN6/c1-2-3-12-25-22-26-13-19-20(16-6-8-17(23)9-7-16)28-29(21(19)27-22)14-15-4-10-18(24)11-5-15/h6-9,13,15,18H,2-5,10-12,14,24H2,1H3,(H,25,26,27)/t15-,18-
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n/an/a 48n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of TYRO3 (unknown origin)


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50384576
PNG
(CHEMBL2036808)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H29FN6/c1-2-3-12-25-22-26-13-19-20(16-6-8-17(23)9-7-16)28-29(21(19)27-22)14-15-4-10-18(24)11-5-15/h6-9,13,15,18H,2-5,10-12,14,24H2,1H3,(H,25,26,27)/t15-,18-
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Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr...


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)