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BDBM50297394 CHEMBL4171115

SMILES: COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)c(F)c3)ccnc2cc1OCCCN1CCCC1

InChI Key: InChIKey=FQIRYXKZWMEKES-UHFFFAOYSA-N

Data: 9 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50297394   
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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50297394
PNG
(CHEMBL4171115)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)c(F)c3)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C33H32F3N5O5S/c1-44-28-17-21-26(18-29(28)45-15-5-14-40-12-2-3-13-40)37-11-10-27(21)46-20-8-9-25(24(36)16-20)38-33(43)39-41-30(42)19-47-32(41)31-22(34)6-4-7-23(31)35/h4,6-11,16-18,32H,2-3,5,12-15,19H2,1H3,(H2,38,39,43)
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n/an/a 0.0210n/an/an/an/an/an/a



Zhuhai Campus of Zunyi Medical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA


Eur J Med Chem 146: 368-380 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.061
BindingDB Entry DOI: 10.7270/Q2BP059Q
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50297394
PNG
(CHEMBL4171115)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)c(F)c3)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C33H32F3N5O5S/c1-44-28-17-21-26(18-29(28)45-15-5-14-40-12-2-3-13-40)37-11-10-27(21)46-20-8-9-25(24(36)16-20)38-33(43)39-41-30(42)19-47-32(41)31-22(34)6-4-7-23(31)35/h4,6-11,16-18,32H,2-3,5,12-15,19H2,1H3,(H2,38,39,43)
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n/an/a 0.0290n/an/an/an/an/an/a



Zhuhai Campus of Zunyi Medical University

Curated by ChEMBL


Assay Description
Inhibition of [125I]VCAM-Ig binding to VLA-4 of Jurkat cells in the presence of [Ca2+]


Eur J Med Chem 146: 368-380 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.061
BindingDB Entry DOI: 10.7270/Q2BP059Q
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50297394
PNG
(CHEMBL4171115)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)c(F)c3)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C33H32F3N5O5S/c1-44-28-17-21-26(18-29(28)45-15-5-14-40-12-2-3-13-40)37-11-10-27(21)46-20-8-9-25(24(36)16-20)38-33(43)39-41-30(42)19-47-32(41)31-22(34)6-4-7-23(31)35/h4,6-11,16-18,32H,2-3,5,12-15,19H2,1H3,(H2,38,39,43)
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n/an/a 0.00310n/an/an/an/an/an/a



Zhuhai Campus of Zunyi Medical University

Curated by ChEMBL


Assay Description
Inhibition of Ron (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA


Eur J Med Chem 146: 368-380 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.061
BindingDB Entry DOI: 10.7270/Q2BP059Q
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50297394
PNG
(CHEMBL4171115)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)c(F)c3)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C33H32F3N5O5S/c1-44-28-17-21-26(18-29(28)45-15-5-14-40-12-2-3-13-40)37-11-10-27(21)46-20-8-9-25(24(36)16-20)38-33(43)39-41-30(42)19-47-32(41)31-22(34)6-4-7-23(31)35/h4,6-11,16-18,32H,2-3,5,12-15,19H2,1H3,(H2,38,39,43)
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n/an/a 0.0210n/an/an/an/an/an/a



Zhuhai Campus of Zunyi Medical University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA


Eur J Med Chem 146: 368-380 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.061
BindingDB Entry DOI: 10.7270/Q2BP059Q
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50297394
PNG
(CHEMBL4171115)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)c(F)c3)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C33H32F3N5O5S/c1-44-28-17-21-26(18-29(28)45-15-5-14-40-12-2-3-13-40)37-11-10-27(21)46-20-8-9-25(24(36)16-20)38-33(43)39-41-30(42)19-47-32(41)31-22(34)6-4-7-23(31)35/h4,6-11,16-18,32H,2-3,5,12-15,19H2,1H3,(H2,38,39,43)
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n/an/a 0.0610n/an/an/an/an/an/a



Zhuhai Campus of Zunyi Medical University

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA


Eur J Med Chem 146: 368-380 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.061
BindingDB Entry DOI: 10.7270/Q2BP059Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50297394
PNG
(CHEMBL4171115)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)c(F)c3)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C33H32F3N5O5S/c1-44-28-17-21-26(18-29(28)45-15-5-14-40-12-2-3-13-40)37-11-10-27(21)46-20-8-9-25(24(36)16-20)38-33(43)39-41-30(42)19-47-32(41)31-22(34)6-4-7-23(31)35/h4,6-11,16-18,32H,2-3,5,12-15,19H2,1H3,(H2,38,39,43)
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n/an/a 0.0620n/an/an/an/an/an/a



Zhuhai Campus of Zunyi Medical University

Curated by ChEMBL


Assay Description
Inhibition of AXL (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA


Eur J Med Chem 146: 368-380 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.061
BindingDB Entry DOI: 10.7270/Q2BP059Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50297394
PNG
(CHEMBL4171115)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)c(F)c3)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C33H32F3N5O5S/c1-44-28-17-21-26(18-29(28)45-15-5-14-40-12-2-3-13-40)37-11-10-27(21)46-20-8-9-25(24(36)16-20)38-33(43)39-41-30(42)19-47-32(41)31-22(34)6-4-7-23(31)35/h4,6-11,16-18,32H,2-3,5,12-15,19H2,1H3,(H2,38,39,43)
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n/an/a 0.812n/an/an/an/an/an/a



Zhuhai Campus of Zunyi Medical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA


Eur J Med Chem 146: 368-380 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.061
BindingDB Entry DOI: 10.7270/Q2BP059Q
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50297394
PNG
(CHEMBL4171115)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)c(F)c3)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C33H32F3N5O5S/c1-44-28-17-21-26(18-29(28)45-15-5-14-40-12-2-3-13-40)37-11-10-27(21)46-20-8-9-25(24(36)16-20)38-33(43)39-41-30(42)19-47-32(41)31-22(34)6-4-7-23(31)35/h4,6-11,16-18,32H,2-3,5,12-15,19H2,1H3,(H2,38,39,43)
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n/an/a 4.70n/an/an/an/an/an/a



Zhuhai Campus of Zunyi Medical University

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA


Eur J Med Chem 146: 368-380 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.061
BindingDB Entry DOI: 10.7270/Q2BP059Q
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50297394
PNG
(CHEMBL4171115)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)c(F)c3)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C33H32F3N5O5S/c1-44-28-17-21-26(18-29(28)45-15-5-14-40-12-2-3-13-40)37-11-10-27(21)46-20-8-9-25(24(36)16-20)38-33(43)39-41-30(42)19-47-32(41)31-22(34)6-4-7-23(31)35/h4,6-11,16-18,32H,2-3,5,12-15,19H2,1H3,(H2,38,39,43)
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n/an/a 0.152n/an/an/an/an/an/a



Zhuhai Campus of Zunyi Medical University

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA


Eur J Med Chem 146: 368-380 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.061
BindingDB Entry DOI: 10.7270/Q2BP059Q
More data for this
Ligand-Target Pair