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BDBM50184817 4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-(3-(pyrrolidin-1-yl)propoxy)pyrrolo[2,1-f][1,2,4]triazine::CHEMBL206146

SMILES: Cc1cc2c(F)c(Oc3ncnn4cc(OCCCN5CCCC5)c(C)c34)ccc2[nH]1

InChI Key: InChIKey=BOXUVZUCCJGJJB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50184817   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50184817
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCN5CCCC5)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C23H26FN5O2/c1-15-12-17-18(27-15)6-7-19(21(17)24)31-23-22-16(2)20(13-29(22)26-14-25-23)30-11-5-10-28-8-3-4-9-28/h6-7,12-14,27H,3-5,8-11H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
BindingDB Entry DOI: 10.7270/Q2WW7H7N
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50184817
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCN5CCCC5)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C23H26FN5O2/c1-15-12-17-18(27-15)6-7-19(21(17)24)31-23-22-16(2)20(13-29(22)26-14-25-23)30-11-5-10-28-8-3-4-9-28/h6-7,12-14,27H,3-5,8-11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP3A4


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
BindingDB Entry DOI: 10.7270/Q2WW7H7N
More data for this
Ligand-Target Pair