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BDBM50103899 CHEMBL3594105

SMILES: COc1cc2c(Oc3ccc(NC(=O)c4[nH]c(=O)n(c4C)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCN(C)CC1

InChI Key: InChIKey=UFYWONKSWCXKNY-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50103899   
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
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50103899
PNG
(CHEMBL3594105)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4[nH]c(=O)n(c4C)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 |(3.99,-2.77,;3.99,-1.54,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.65,-6.18,;-6.64,-7.72,;-5.58,-8.33,;-7.98,-8.49,;-9.36,-7.86,;-10.39,-9.01,;-11.62,-8.88,;-9.62,-10.34,;-8.11,-10.02,;-7.19,-10.83,;-10.24,-11.75,;-9.24,-12.92,;-9.75,-14.37,;-11.27,-14.65,;-12.27,-13.48,;-11.75,-12.03,;-12.55,-11.09,;-3.98,-6.17,;-2.65,-5.39,;-1.58,-6.01,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;3.99,3.08,;5.33,3.86,;5.32,5.4,;6.66,6.17,;6.66,7.71,;7.99,8.48,;9.32,7.71,;10.39,8.33,;9.32,6.17,;7.99,5.4,)|
Show InChI InChI=1S/C35H36ClFN6O5/c1-22-33(40-35(45)43(22)28-8-5-4-7-25(28)36)34(44)39-23-9-10-30(26(37)19-23)48-29-11-12-38-27-21-32(31(46-3)20-24(27)29)47-18-6-13-42-16-14-41(2)15-17-42/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,39,44)(H,40,45)
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n/an/a 270n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of Ron (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50103899
PNG
(CHEMBL3594105)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4[nH]c(=O)n(c4C)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 |(3.99,-2.77,;3.99,-1.54,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.65,-6.18,;-6.64,-7.72,;-5.58,-8.33,;-7.98,-8.49,;-9.36,-7.86,;-10.39,-9.01,;-11.62,-8.88,;-9.62,-10.34,;-8.11,-10.02,;-7.19,-10.83,;-10.24,-11.75,;-9.24,-12.92,;-9.75,-14.37,;-11.27,-14.65,;-12.27,-13.48,;-11.75,-12.03,;-12.55,-11.09,;-3.98,-6.17,;-2.65,-5.39,;-1.58,-6.01,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;3.99,3.08,;5.33,3.86,;5.32,5.4,;6.66,6.17,;6.66,7.71,;7.99,8.48,;9.32,7.71,;10.39,8.33,;9.32,6.17,;7.99,5.4,)|
Show InChI InChI=1S/C35H36ClFN6O5/c1-22-33(40-35(45)43(22)28-8-5-4-7-25(28)36)34(44)39-23-9-10-30(26(37)19-23)48-29-11-12-38-27-21-32(31(46-3)20-24(27)29)47-18-6-13-42-16-14-41(2)15-17-42/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,39,44)(H,40,45)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103899
PNG
(CHEMBL3594105)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4[nH]c(=O)n(c4C)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 |(3.99,-2.77,;3.99,-1.54,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.65,-6.18,;-6.64,-7.72,;-5.58,-8.33,;-7.98,-8.49,;-9.36,-7.86,;-10.39,-9.01,;-11.62,-8.88,;-9.62,-10.34,;-8.11,-10.02,;-7.19,-10.83,;-10.24,-11.75,;-9.24,-12.92,;-9.75,-14.37,;-11.27,-14.65,;-12.27,-13.48,;-11.75,-12.03,;-12.55,-11.09,;-3.98,-6.17,;-2.65,-5.39,;-1.58,-6.01,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;3.99,3.08,;5.33,3.86,;5.32,5.4,;6.66,6.17,;6.66,7.71,;7.99,8.48,;9.32,7.71,;10.39,8.33,;9.32,6.17,;7.99,5.4,)|
Show InChI InChI=1S/C35H36ClFN6O5/c1-22-33(40-35(45)43(22)28-8-5-4-7-25(28)36)34(44)39-23-9-10-30(26(37)19-23)48-29-11-12-38-27-21-32(31(46-3)20-24(27)29)47-18-6-13-42-16-14-41(2)15-17-42/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,39,44)(H,40,45)
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n/an/a 1.40n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50103899
PNG
(CHEMBL3594105)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4[nH]c(=O)n(c4C)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 |(3.99,-2.77,;3.99,-1.54,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.65,-6.18,;-6.64,-7.72,;-5.58,-8.33,;-7.98,-8.49,;-9.36,-7.86,;-10.39,-9.01,;-11.62,-8.88,;-9.62,-10.34,;-8.11,-10.02,;-7.19,-10.83,;-10.24,-11.75,;-9.24,-12.92,;-9.75,-14.37,;-11.27,-14.65,;-12.27,-13.48,;-11.75,-12.03,;-12.55,-11.09,;-3.98,-6.17,;-2.65,-5.39,;-1.58,-6.01,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;3.99,3.08,;5.33,3.86,;5.32,5.4,;6.66,6.17,;6.66,7.71,;7.99,8.48,;9.32,7.71,;10.39,8.33,;9.32,6.17,;7.99,5.4,)|
Show InChI InChI=1S/C35H36ClFN6O5/c1-22-33(40-35(45)43(22)28-8-5-4-7-25(28)36)34(44)39-23-9-10-30(26(37)19-23)48-29-11-12-38-27-21-32(31(46-3)20-24(27)29)47-18-6-13-42-16-14-41(2)15-17-42/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,39,44)(H,40,45)
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n/an/a 38n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50103899
PNG
(CHEMBL3594105)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4[nH]c(=O)n(c4C)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 |(3.99,-2.77,;3.99,-1.54,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.65,-6.18,;-6.64,-7.72,;-5.58,-8.33,;-7.98,-8.49,;-9.36,-7.86,;-10.39,-9.01,;-11.62,-8.88,;-9.62,-10.34,;-8.11,-10.02,;-7.19,-10.83,;-10.24,-11.75,;-9.24,-12.92,;-9.75,-14.37,;-11.27,-14.65,;-12.27,-13.48,;-11.75,-12.03,;-12.55,-11.09,;-3.98,-6.17,;-2.65,-5.39,;-1.58,-6.01,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;3.99,3.08,;5.33,3.86,;5.32,5.4,;6.66,6.17,;6.66,7.71,;7.99,8.48,;9.32,7.71,;10.39,8.33,;9.32,6.17,;7.99,5.4,)|
Show InChI InChI=1S/C35H36ClFN6O5/c1-22-33(40-35(45)43(22)28-8-5-4-7-25(28)36)34(44)39-23-9-10-30(26(37)19-23)48-29-11-12-38-27-21-32(31(46-3)20-24(27)29)47-18-6-13-42-16-14-41(2)15-17-42/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,39,44)(H,40,45)
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n/an/a 134n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of FLT-3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50103899
PNG
(CHEMBL3594105)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4[nH]c(=O)n(c4C)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 |(3.99,-2.77,;3.99,-1.54,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.65,-6.18,;-6.64,-7.72,;-5.58,-8.33,;-7.98,-8.49,;-9.36,-7.86,;-10.39,-9.01,;-11.62,-8.88,;-9.62,-10.34,;-8.11,-10.02,;-7.19,-10.83,;-10.24,-11.75,;-9.24,-12.92,;-9.75,-14.37,;-11.27,-14.65,;-12.27,-13.48,;-11.75,-12.03,;-12.55,-11.09,;-3.98,-6.17,;-2.65,-5.39,;-1.58,-6.01,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;3.99,3.08,;5.33,3.86,;5.32,5.4,;6.66,6.17,;6.66,7.71,;7.99,8.48,;9.32,7.71,;10.39,8.33,;9.32,6.17,;7.99,5.4,)|
Show InChI InChI=1S/C35H36ClFN6O5/c1-22-33(40-35(45)43(22)28-8-5-4-7-25(28)36)34(44)39-23-9-10-30(26(37)19-23)48-29-11-12-38-27-21-32(31(46-3)20-24(27)29)47-18-6-13-42-16-14-41(2)15-17-42/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,39,44)(H,40,45)
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n/an/a 93n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair