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BDBM50234574 CHEMBL4105491

SMILES: CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc4ccccc34)cc2C(F)(F)F)CC1

InChI Key: InChIKey=YWKSYTCBEVSAAX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50234574   
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))
BDBM50234574
PNG
(CHEMBL4105491)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc4ccccc34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H29F3N4O/c1-22-7-8-24(17-23(22)9-10-26-20-36-19-25-5-3-4-6-29(25)26)31(40)37-28-12-11-27(30(18-28)32(33,34)35)21-39-15-13-38(2)14-16-39/h3-8,11-12,17-20H,13-16,21H2,1-2H3,(H,37,40)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 79n/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))
BDBM50234574
PNG
(CHEMBL4105491)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc4ccccc34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H29F3N4O/c1-22-7-8-24(17-23(22)9-10-26-20-36-19-25-5-3-4-6-29(25)26)31(40)37-28-12-11-27(30(18-28)32(33,34)35)21-39-15-13-38(2)14-16-39/h3-8,11-12,17-20H,13-16,21H2,1-2H3,(H,37,40)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged FGFR1 (456 to 765 residues) expressed in baculovirus infected Sf21 insect cells using poly (Glu...


J Med Chem 63: 1397-1414 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01912
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (Human))
BDBM50234574
PNG
(CHEMBL4105491)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc4ccccc34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H29F3N4O/c1-22-7-8-24(17-23(22)9-10-26-20-36-19-25-5-3-4-6-29(25)26)31(40)37-28-12-11-27(30(18-28)32(33,34)35)21-39-15-13-38(2)14-16-39/h3-8,11-12,17-20H,13-16,21H2,1-2H3,(H,37,40)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant CSF1R (unknown origin) using poly (Glu, Tyr)4:1 as substrate measured after 1 hr by ELISA


J Med Chem 63: 1397-1414 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01912
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50234574
PNG
(CHEMBL4105491)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc4ccccc34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H29F3N4O/c1-22-7-8-24(17-23(22)9-10-26-20-36-19-25-5-3-4-6-29(25)26)31(40)37-28-12-11-27(30(18-28)32(33,34)35)21-39-15-13-38(2)14-16-39/h3-8,11-12,17-20H,13-16,21H2,1-2H3,(H,37,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.20n/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