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SMILES: COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3CCC[C@@H]3NC(=O)C=C)nc2n(C)c1=O

InChI Key:

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 = 50561591   
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
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50561591
PNG
(CHEMBL4793510)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3CCC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(19.41,-17.19,;18.08,-17.97,;18.08,-19.51,;19.42,-20.27,;19.43,-21.82,;20.76,-22.6,;20.77,-24.14,;18.09,-22.6,;18.09,-24.14,;16.75,-21.82,;16.75,-20.28,;15.42,-19.51,;15.42,-22.59,;14.09,-21.81,;12.77,-22.59,;11.45,-21.8,;10.11,-22.56,;10.1,-24.1,;8.76,-24.86,;7.43,-24.09,;7.28,-22.55,;5.77,-22.22,;5,-23.55,;6.02,-24.7,;5.69,-26.21,;4.22,-26.67,;3.08,-25.64,;3.89,-28.18,;2.42,-28.65,;11.42,-24.87,;12.75,-24.12,;14.09,-24.89,;14.08,-26.43,;15.43,-24.13,;16.76,-24.9,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 247n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human tagged FGFR2 using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50561591
PNG
(CHEMBL4793510)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3CCC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(19.41,-17.19,;18.08,-17.97,;18.08,-19.51,;19.42,-20.27,;19.43,-21.82,;20.76,-22.6,;20.77,-24.14,;18.09,-22.6,;18.09,-24.14,;16.75,-21.82,;16.75,-20.28,;15.42,-19.51,;15.42,-22.59,;14.09,-21.81,;12.77,-22.59,;11.45,-21.8,;10.11,-22.56,;10.1,-24.1,;8.76,-24.86,;7.43,-24.09,;7.28,-22.55,;5.77,-22.22,;5,-23.55,;6.02,-24.7,;5.69,-26.21,;4.22,-26.67,;3.08,-25.64,;3.89,-28.18,;2.42,-28.65,;11.42,-24.87,;12.75,-24.12,;14.09,-24.89,;14.08,-26.43,;15.43,-24.13,;16.76,-24.9,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 359n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR2 (unknown origin) expressed in KATO -III cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discove...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50561591
PNG
(CHEMBL4793510)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3CCC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(19.41,-17.19,;18.08,-17.97,;18.08,-19.51,;19.42,-20.27,;19.43,-21.82,;20.76,-22.6,;20.77,-24.14,;18.09,-22.6,;18.09,-24.14,;16.75,-21.82,;16.75,-20.28,;15.42,-19.51,;15.42,-22.59,;14.09,-21.81,;12.77,-22.59,;11.45,-21.8,;10.11,-22.56,;10.1,-24.1,;8.76,-24.86,;7.43,-24.09,;7.28,-22.55,;5.77,-22.22,;5,-23.55,;6.02,-24.7,;5.69,-26.21,;4.22,-26.67,;3.08,-25.64,;3.89,-28.18,;2.42,-28.65,;11.42,-24.87,;12.75,-24.12,;14.09,-24.89,;14.08,-26.43,;15.43,-24.13,;16.76,-24.9,)|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR4 (unknown origin) expressed in human Huh7 cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discov...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50561591
PNG
(CHEMBL4793510)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3CCC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(19.41,-17.19,;18.08,-17.97,;18.08,-19.51,;19.42,-20.27,;19.43,-21.82,;20.76,-22.6,;20.77,-24.14,;18.09,-22.6,;18.09,-24.14,;16.75,-21.82,;16.75,-20.28,;15.42,-19.51,;15.42,-22.59,;14.09,-21.81,;12.77,-22.59,;11.45,-21.8,;10.11,-22.56,;10.1,-24.1,;8.76,-24.86,;7.43,-24.09,;7.28,-22.55,;5.77,-22.22,;5,-23.55,;6.02,-24.7,;5.69,-26.21,;4.22,-26.67,;3.08,-25.64,;3.89,-28.18,;2.42,-28.65,;11.42,-24.87,;12.75,-24.12,;14.09,-24.89,;14.08,-26.43,;15.43,-24.13,;16.76,-24.9,)|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 73n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human wild type N-His tagged FGFR4 (460-802) using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair