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BDBM50279591 CHEMBL4172155

SMILES: COC(=O)c1ccc2\C(=C(\Nc3ccc4CCN(C(=O)Cn5cncn5)c4c3)c3ccccc3)C(=O)Nc2c1

InChI Key: InChIKey=PAPPXQDTTZPULX-RQZHXJHFSA-N

Data: 5 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 5 hits for monomerid = 50279591   
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50279591
PNG
(CHEMBL4172155)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc4CCN(C(=O)Cn5cncn5)c4c3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C29H24N6O4/c1-39-29(38)20-8-10-22-23(13-20)33-28(37)26(22)27(19-5-3-2-4-6-19)32-21-9-7-18-11-12-35(24(18)14-21)25(36)15-34-17-30-16-31-34/h2-10,13-14,16-17,32H,11-12,15H2,1H3,(H,33,37)/b27-26-
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n/an/a 15n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase in Lactobacillus casei


ACS Med Chem Lett 8: 1142-1147 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00164
BindingDB Entry DOI: 10.7270/Q2TM7DND
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Mus musculus (mouse))
BDBM50279591
PNG
(CHEMBL4172155)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc4CCN(C(=O)Cn5cncn5)c4c3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C29H24N6O4/c1-39-29(38)20-8-10-22-23(13-20)33-28(37)26(22)27(19-5-3-2-4-6-19)32-21-9-7-18-11-12-35(24(18)14-21)25(36)15-34-17-30-16-31-34/h2-10,13-14,16-17,32H,11-12,15H2,1H3,(H,33,37)/b27-26-
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n/an/a 100n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PDGFR in mouse NIH/3T3 cells assessed as reduction in recombinant human PDGF-BB-induced cell proliferation after 42 hrs by cell titer 9...


ACS Med Chem Lett 8: 1142-1147 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00164
BindingDB Entry DOI: 10.7270/Q2TM7DND
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50279591
PNG
(CHEMBL4172155)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc4CCN(C(=O)Cn5cncn5)c4c3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C29H24N6O4/c1-39-29(38)20-8-10-22-23(13-20)33-28(37)26(22)27(19-5-3-2-4-6-19)32-21-9-7-18-11-12-35(24(18)14-21)25(36)15-34-17-30-16-31-34/h2-10,13-14,16-17,32H,11-12,15H2,1H3,(H,33,37)/b27-26-
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n/an/a 100n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 (unknown origin) by off-chip mobility shift assay


ACS Med Chem Lett 8: 1142-1147 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00164
BindingDB Entry DOI: 10.7270/Q2TM7DND
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50279591
PNG
(CHEMBL4172155)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc4CCN(C(=O)Cn5cncn5)c4c3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C29H24N6O4/c1-39-29(38)20-8-10-22-23(13-20)33-28(37)26(22)27(19-5-3-2-4-6-19)32-21-9-7-18-11-12-35(24(18)14-21)25(36)15-34-17-30-16-31-34/h2-10,13-14,16-17,32H,11-12,15H2,1H3,(H,33,37)/b27-26-
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n/an/a>30n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 8: 1142-1147 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00164
BindingDB Entry DOI: 10.7270/Q2TM7DND
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50279591
PNG
(CHEMBL4172155)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc4CCN(C(=O)Cn5cncn5)c4c3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C29H24N6O4/c1-39-29(38)20-8-10-22-23(13-20)33-28(37)26(22)27(19-5-3-2-4-6-19)32-21-9-7-18-11-12-35(24(18)14-21)25(36)15-34-17-30-16-31-34/h2-10,13-14,16-17,32H,11-12,15H2,1H3,(H,33,37)/b27-26-
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PubMed
n/an/a 620n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant FGFR1 (unknown origin) by off-chip mobility shift assay


ACS Med Chem Lett 8: 1142-1147 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00164
BindingDB Entry DOI: 10.7270/Q2TM7DND
More data for this
Ligand-Target Pair