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SMILES: OCc1cc2CCCN(C(=O)Nc3cc(O[C@@H]4CCOC4)c(cn3)C#N)c2nc1C=O

InChI Key: InChIKey=JDSIDNMVOWOKBD-MRXNPFEDSA-N

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 = 209291   
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 4 [388-802]


(Homo sapiens (Human))
BDBM209291
PNG
(US9266883, 49)
Show SMILES OCc1cc2CCCN(C(=O)Nc3cc(O[C@@H]4CCOC4)c(cn3)C#N)c2nc1C=O |r|
Show InChI InChI=1S/C21H21N5O5/c22-8-15-9-23-19(7-18(15)31-16-3-5-30-12-16)25-21(29)26-4-1-2-13-6-14(10-27)17(11-28)24-20(13)26/h6-7,9,11,16,27H,1-5,10,12H2,(H,23,25,29)/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.5n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM209291
PNG
(US9266883, 49)
Show SMILES OCc1cc2CCCN(C(=O)Nc3cc(O[C@@H]4CCOC4)c(cn3)C#N)c2nc1C=O |r|
Show InChI InChI=1S/C21H21N5O5/c22-8-15-9-23-19(7-18(15)31-16-3-5-30-12-16)25-21(29)26-4-1-2-13-6-14(10-27)17(11-28)24-20(13)26/h6-7,9,11,16,27H,1-5,10,12H2,(H,23,25,29)/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6n/an/an/an/an/a


TBA

Assay Description
Displacement of reporter probe from human recombinant FGFR4 (391 to 802) expressed in Baculovirus infected Sf9 cells measured after 30 mins by proter...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM209291
PNG
(US9266883, 49)
Show SMILES OCc1cc2CCCN(C(=O)Nc3cc(O[C@@H]4CCOC4)c(cn3)C#N)c2nc1C=O |r|
Show InChI InChI=1S/C21H21N5O5/c22-8-15-9-23-19(7-18(15)31-16-3-5-30-12-16)25-21(29)26-4-1-2-13-6-14(10-27)17(11-28)24-20(13)26/h6-7,9,11,16,27H,1-5,10,12H2,(H,23,25,29)/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Mus musculus)
BDBM209291
PNG
(US9266883, 49)
Show SMILES OCc1cc2CCCN(C(=O)Nc3cc(O[C@@H]4CCOC4)c(cn3)C#N)c2nc1C=O |r|
Show InChI InChI=1S/C21H21N5O5/c22-8-15-9-23-19(7-18(15)31-16-3-5-30-12-16)25-21(29)26-4-1-2-13-6-14(10-27)17(11-28)24-20(13)26/h6-7,9,11,16,27H,1-5,10,12H2,(H,23,25,29)/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR4 in mouse BAF3 cells assessed as decrease in FGFR4 phosphorylation incubated for 40 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Mus musculus)
BDBM209291
PNG
(US9266883, 49)
Show SMILES OCc1cc2CCCN(C(=O)Nc3cc(O[C@@H]4CCOC4)c(cn3)C#N)c2nc1C=O |r|
Show InChI InChI=1S/C21H21N5O5/c22-8-15-9-23-19(7-18(15)31-16-3-5-30-12-16)25-21(29)26-4-1-2-13-6-14(10-27)17(11-28)24-20(13)26/h6-7,9,11,16,27H,1-5,10,12H2,(H,23,25,29)/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR4 in mouse BAF3 cells assessed as reduction in cell viability incubated for 2 days by cell proliferation assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair