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BDBM50234576 CHEMBL4083853

SMILES: CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc(c3)N3CCN(C)CC3)cc2C(F)(F)F)CC1

InChI Key: InChIKey=MXCIAIOVWVMWIF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50234576   
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))
BDBM50234576
PNG
(CHEMBL4083853)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc(c3)N3CCN(C)CC3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C33H37F3N6O/c1-24-4-6-27(19-26(24)7-5-25-18-30(22-37-21-25)42-16-12-40(3)13-17-42)32(43)38-29-9-8-28(31(20-29)33(34,35)36)23-41-14-10-39(2)11-15-41/h4,6,8-9,18-22H,10-17,23H2,1-3H3,(H,38,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 22n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR (unknown origin) using poly (Glu, Tyr) 4:1 after 60 mins by ELISA method


Eur J Med Chem 126: 122-132 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CQK
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50234576
PNG
(CHEMBL4083853)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc(c3)N3CCN(C)CC3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C33H37F3N6O/c1-24-4-6-27(19-26(24)7-5-25-18-30(22-37-21-25)42-16-12-40(3)13-17-42)32(43)38-29-9-8-28(31(20-29)33(34,35)36)23-41-14-10-39(2)11-15-41/h4,6,8-9,18-22H,10-17,23H2,1-3H3,(H,38,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 5.70n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant FGFR1 (unknown origin) using poly (Glu, Tyr) 4:1 after 60 mins by ELISA method


Eur J Med Chem 126: 122-132 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CQK
More data for this
Ligand-Target Pair