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BDBM50147893 CHEMBL3764279

SMILES: COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4cccc(CC=C)c4O)cc3F)ccnc2cc1OCCCN1CCCCC1

InChI Key: InChIKey=LJSAOZBYSGZILH-FNTLCPBMSA-N

Data: 7 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 7 hits for monomerid = 50147893   
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))
BDBM50147893
PNG
(CHEMBL3764279)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4cccc(CC=C)c4O)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C35H38FN5O5/c1-3-9-24-10-7-11-25(34(24)42)23-38-40-35(43)39-26-12-13-31(28(36)20-26)46-30-14-15-37-29-22-33(32(44-2)21-27(29)30)45-19-8-18-41-16-5-4-6-17-41/h3,7,10-15,20-23,42H,1,4-6,8-9,16-19H2,2H3,(H2,39,40,43)/b38-23+
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n/an/a 1.5n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met kinase (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50147893
PNG
(CHEMBL3764279)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4cccc(CC=C)c4O)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C35H38FN5O5/c1-3-9-24-10-7-11-25(34(24)42)23-38-40-35(43)39-26-12-13-31(28(36)20-26)46-30-14-15-37-29-22-33(32(44-2)21-27(29)30)45-19-8-18-41-16-5-4-6-17-41/h3,7,10-15,20-23,42H,1,4-6,8-9,16-19H2,2H3,(H2,39,40,43)/b38-23+
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NCI pathway
Reactome pathway
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n/an/a 210n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50147893
PNG
(CHEMBL3764279)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4cccc(CC=C)c4O)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C35H38FN5O5/c1-3-9-24-10-7-11-25(34(24)42)23-38-40-35(43)39-26-12-13-31(28(36)20-26)46-30-14-15-37-29-22-33(32(44-2)21-27(29)30)45-19-8-18-41-16-5-4-6-17-41/h3,7,10-15,20-23,42H,1,4-6,8-9,16-19H2,2H3,(H2,39,40,43)/b38-23+
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n/an/a 212n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-alpha (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50147893
PNG
(CHEMBL3764279)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4cccc(CC=C)c4O)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C35H38FN5O5/c1-3-9-24-10-7-11-25(34(24)42)23-38-40-35(43)39-26-12-13-31(28(36)20-26)46-30-14-15-37-29-22-33(32(44-2)21-27(29)30)45-19-8-18-41-16-5-4-6-17-41/h3,7,10-15,20-23,42H,1,4-6,8-9,16-19H2,2H3,(H2,39,40,43)/b38-23+
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n/an/a 15n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Ron (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50147893
PNG
(CHEMBL3764279)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4cccc(CC=C)c4O)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C35H38FN5O5/c1-3-9-24-10-7-11-25(34(24)42)23-38-40-35(43)39-26-12-13-31(28(36)20-26)46-30-14-15-37-29-22-33(32(44-2)21-27(29)30)45-19-8-18-41-16-5-4-6-17-41/h3,7,10-15,20-23,42H,1,4-6,8-9,16-19H2,2H3,(H2,39,40,43)/b38-23+
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n/an/a 367n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Flt-3 (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50147893
PNG
(CHEMBL3764279)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4cccc(CC=C)c4O)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C35H38FN5O5/c1-3-9-24-10-7-11-25(34(24)42)23-38-40-35(43)39-26-12-13-31(28(36)20-26)46-30-14-15-37-29-22-33(32(44-2)21-27(29)30)45-19-8-18-41-16-5-4-6-17-41/h3,7,10-15,20-23,42H,1,4-6,8-9,16-19H2,2H3,(H2,39,40,43)/b38-23+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50147893
PNG
(CHEMBL3764279)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4cccc(CC=C)c4O)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C35H38FN5O5/c1-3-9-24-10-7-11-25(34(24)42)23-38-40-35(43)39-26-12-13-31(28(36)20-26)46-30-14-15-37-29-22-33(32(44-2)21-27(29)30)45-19-8-18-41-16-5-4-6-17-41/h3,7,10-15,20-23,42H,1,4-6,8-9,16-19H2,2H3,(H2,39,40,43)/b38-23+
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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PubMed
n/an/a 163n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-kit (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair