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BDBM50444249 CHEMBL3093748::US9649309, Compound UNC2776A

SMILES: CCCCNc1ncc(C(=O)Nc2ccc(OC)cc2)c(N[C@H]2CC[C@H](O)CC2)n1

InChI Key: InChIKey=VDZKYCXBCMIQDA-JCNLHEQBSA-N

Data: 8 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 8 hits for monomerid = 50444249   
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))
BDBM50444249
PNG
(CHEMBL3093748 | US9649309, Compound UNC2776A)
Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(OC)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(20.21,-47.13,;21.55,-46.36,;22.88,-47.13,;24.21,-46.36,;25.55,-47.13,;26.88,-46.37,;28.22,-47.14,;29.55,-46.36,;29.55,-44.81,;30.88,-44.04,;30.87,-42.5,;32.22,-44.8,;33.55,-44.03,;34.88,-44.8,;36.21,-44.03,;36.2,-42.49,;37.53,-41.71,;38.87,-42.47,;34.86,-41.72,;33.53,-42.5,;28.21,-44.05,;28.21,-42.51,;26.87,-41.74,;25.54,-42.52,;24.2,-41.75,;24.2,-40.21,;22.87,-39.44,;25.54,-39.44,;26.86,-40.21,;26.88,-44.82,)|
Show InChI InChI=1S/C22H31N5O3/c1-3-4-13-23-22-24-14-19(20(27-22)25-15-5-9-17(28)10-6-15)21(29)26-16-7-11-18(30-2)12-8-16/h7-8,11-12,14-15,17,28H,3-6,9-10,13H2,1-2H3,(H,26,29)(H2,23,24,25,27)/t15-,17-
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Article
PubMed
n/an/a 15n/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 TYRO3


(Homo sapiens (Human))
BDBM50444249
PNG
(CHEMBL3093748 | US9649309, Compound UNC2776A)
Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(OC)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(20.21,-47.13,;21.55,-46.36,;22.88,-47.13,;24.21,-46.36,;25.55,-47.13,;26.88,-46.37,;28.22,-47.14,;29.55,-46.36,;29.55,-44.81,;30.88,-44.04,;30.87,-42.5,;32.22,-44.8,;33.55,-44.03,;34.88,-44.8,;36.21,-44.03,;36.2,-42.49,;37.53,-41.71,;38.87,-42.47,;34.86,-41.72,;33.53,-42.5,;28.21,-44.05,;28.21,-42.51,;26.87,-41.74,;25.54,-42.52,;24.2,-41.75,;24.2,-40.21,;22.87,-39.44,;25.54,-39.44,;26.86,-40.21,;26.88,-44.82,)|
Show InChI InChI=1S/C22H31N5O3/c1-3-4-13-23-22-24-14-19(20(27-22)25-15-5-9-17(28)10-6-15)21(29)26-16-7-11-18(30-2)12-8-16/h7-8,11-12,14-15,17,28H,3-6,9-10,13H2,1-2H3,(H,26,29)(H2,23,24,25,27)/t15-,17-
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n/an/a 660n/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
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50444249
PNG
(CHEMBL3093748 | US9649309, Compound UNC2776A)
Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(OC)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(20.21,-47.13,;21.55,-46.36,;22.88,-47.13,;24.21,-46.36,;25.55,-47.13,;26.88,-46.37,;28.22,-47.14,;29.55,-46.36,;29.55,-44.81,;30.88,-44.04,;30.87,-42.5,;32.22,-44.8,;33.55,-44.03,;34.88,-44.8,;36.21,-44.03,;36.2,-42.49,;37.53,-41.71,;38.87,-42.47,;34.86,-41.72,;33.53,-42.5,;28.21,-44.05,;28.21,-42.51,;26.87,-41.74,;25.54,-42.52,;24.2,-41.75,;24.2,-40.21,;22.87,-39.44,;25.54,-39.44,;26.86,-40.21,;26.88,-44.82,)|
Show InChI InChI=1S/C22H31N5O3/c1-3-4-13-23-22-24-14-19(20(27-22)25-15-5-9-17(28)10-6-15)21(29)26-16-7-11-18(30-2)12-8-16/h7-8,11-12,14-15,17,28H,3-6,9-10,13H2,1-2H3,(H,26,29)(H2,23,24,25,27)/t15-,17-
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PubMed
n/an/a 880n/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 Mer


(Homo sapiens (Human))
BDBM50444249
PNG
(CHEMBL3093748 | US9649309, Compound UNC2776A)
Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(OC)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(20.21,-47.13,;21.55,-46.36,;22.88,-47.13,;24.21,-46.36,;25.55,-47.13,;26.88,-46.37,;28.22,-47.14,;29.55,-46.36,;29.55,-44.81,;30.88,-44.04,;30.87,-42.5,;32.22,-44.8,;33.55,-44.03,;34.88,-44.8,;36.21,-44.03,;36.2,-42.49,;37.53,-41.71,;38.87,-42.47,;34.86,-41.72,;33.53,-42.5,;28.21,-44.05,;28.21,-42.51,;26.87,-41.74,;25.54,-42.52,;24.2,-41.75,;24.2,-40.21,;22.87,-39.44,;25.54,-39.44,;26.86,-40.21,;26.88,-44.82,)|
Show InChI InChI=1S/C22H31N5O3/c1-3-4-13-23-22-24-14-19(20(27-22)25-15-5-9-17(28)10-6-15)21(29)26-16-7-11-18(30-2)12-8-16/h7-8,11-12,14-15,17,28H,3-6,9-10,13H2,1-2H3,(H,26,29)(H2,23,24,25,27)/t15-,17-
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n/an/a 55n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


US Patent US9649309 (2017)


BindingDB Entry DOI: 10.7270/Q26Q209H
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50444249
PNG
(CHEMBL3093748 | US9649309, Compound UNC2776A)
Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(OC)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(20.21,-47.13,;21.55,-46.36,;22.88,-47.13,;24.21,-46.36,;25.55,-47.13,;26.88,-46.37,;28.22,-47.14,;29.55,-46.36,;29.55,-44.81,;30.88,-44.04,;30.87,-42.5,;32.22,-44.8,;33.55,-44.03,;34.88,-44.8,;36.21,-44.03,;36.2,-42.49,;37.53,-41.71,;38.87,-42.47,;34.86,-41.72,;33.53,-42.5,;28.21,-44.05,;28.21,-42.51,;26.87,-41.74,;25.54,-42.52,;24.2,-41.75,;24.2,-40.21,;22.87,-39.44,;25.54,-39.44,;26.86,-40.21,;26.88,-44.82,)|
Show InChI InChI=1S/C22H31N5O3/c1-3-4-13-23-22-24-14-19(20(27-22)25-15-5-9-17(28)10-6-15)21(29)26-16-7-11-18(30-2)12-8-16/h7-8,11-12,14-15,17,28H,3-6,9-10,13H2,1-2H3,(H,26,29)(H2,23,24,25,27)/t15-,17-
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US Patent
n/an/a 11n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


US Patent US9649309 (2017)


BindingDB Entry DOI: 10.7270/Q26Q209H
More data for this
Ligand-Target Pair
Growth arrest-specific protein 6


(Homo sapiens (Human))
BDBM50444249
PNG
(CHEMBL3093748 | US9649309, Compound UNC2776A)
Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(OC)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(20.21,-47.13,;21.55,-46.36,;22.88,-47.13,;24.21,-46.36,;25.55,-47.13,;26.88,-46.37,;28.22,-47.14,;29.55,-46.36,;29.55,-44.81,;30.88,-44.04,;30.87,-42.5,;32.22,-44.8,;33.55,-44.03,;34.88,-44.8,;36.21,-44.03,;36.2,-42.49,;37.53,-41.71,;38.87,-42.47,;34.86,-41.72,;33.53,-42.5,;28.21,-44.05,;28.21,-42.51,;26.87,-41.74,;25.54,-42.52,;24.2,-41.75,;24.2,-40.21,;22.87,-39.44,;25.54,-39.44,;26.86,-40.21,;26.88,-44.82,)|
Show InChI InChI=1S/C22H31N5O3/c1-3-4-13-23-22-24-14-19(20(27-22)25-15-5-9-17(28)10-6-15)21(29)26-16-7-11-18(30-2)12-8-16/h7-8,11-12,14-15,17,28H,3-6,9-10,13H2,1-2H3,(H,26,29)(H2,23,24,25,27)/t15-,17-
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US Patent
n/an/a 658n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


US Patent US9649309 (2017)


BindingDB Entry DOI: 10.7270/Q26Q209H
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50444249
PNG
(CHEMBL3093748 | US9649309, Compound UNC2776A)
Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(OC)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(20.21,-47.13,;21.55,-46.36,;22.88,-47.13,;24.21,-46.36,;25.55,-47.13,;26.88,-46.37,;28.22,-47.14,;29.55,-46.36,;29.55,-44.81,;30.88,-44.04,;30.87,-42.5,;32.22,-44.8,;33.55,-44.03,;34.88,-44.8,;36.21,-44.03,;36.2,-42.49,;37.53,-41.71,;38.87,-42.47,;34.86,-41.72,;33.53,-42.5,;28.21,-44.05,;28.21,-42.51,;26.87,-41.74,;25.54,-42.52,;24.2,-41.75,;24.2,-40.21,;22.87,-39.44,;25.54,-39.44,;26.86,-40.21,;26.88,-44.82,)|
Show InChI InChI=1S/C22H31N5O3/c1-3-4-13-23-22-24-14-19(20(27-22)25-15-5-9-17(28)10-6-15)21(29)26-16-7-11-18(30-2)12-8-16/h7-8,11-12,14-15,17,28H,3-6,9-10,13H2,1-2H3,(H,26,29)(H2,23,24,25,27)/t15-,17-
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US Patent
n/an/a 880n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


US Patent US9649309 (2017)


BindingDB Entry DOI: 10.7270/Q26Q209H
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50444249
PNG
(CHEMBL3093748 | US9649309, Compound UNC2776A)
Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(OC)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(20.21,-47.13,;21.55,-46.36,;22.88,-47.13,;24.21,-46.36,;25.55,-47.13,;26.88,-46.37,;28.22,-47.14,;29.55,-46.36,;29.55,-44.81,;30.88,-44.04,;30.87,-42.5,;32.22,-44.8,;33.55,-44.03,;34.88,-44.8,;36.21,-44.03,;36.2,-42.49,;37.53,-41.71,;38.87,-42.47,;34.86,-41.72,;33.53,-42.5,;28.21,-44.05,;28.21,-42.51,;26.87,-41.74,;25.54,-42.52,;24.2,-41.75,;24.2,-40.21,;22.87,-39.44,;25.54,-39.44,;26.86,-40.21,;26.88,-44.82,)|
Show InChI InChI=1S/C22H31N5O3/c1-3-4-13-23-22-24-14-19(20(27-22)25-15-5-9-17(28)10-6-15)21(29)26-16-7-11-18(30-2)12-8-16/h7-8,11-12,14-15,17,28H,3-6,9-10,13H2,1-2H3,(H,26,29)(H2,23,24,25,27)/t15-,17-
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US Patent
n/an/a 15n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


US Patent US9649309 (2017)


BindingDB Entry DOI: 10.7270/Q26Q209H
More data for this
Ligand-Target Pair