BindingDB logo
myBDB logout

null

SMILES: CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc23)ncc1C#N

InChI Key: InChIKey=KYVKVDHCJPYHLM-UHFFFAOYSA-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 6 hits for monomerid = 209275   
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))
BDBM209275
PNG
(US9266883, 33)
Show SMILES CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C19H19N5O3/c1-12(2)27-16-8-17(21-10-14(16)9-20)23-19(26)24-7-3-4-13-5-6-15(11-25)22-18(13)24/h5-6,8,10-12H,3-4,7H2,1-2H3,(H,21,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/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))
BDBM209275
PNG
(US9266883, 33)
Show SMILES CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C19H19N5O3/c1-12(2)27-16-8-17(21-10-14(16)9-20)23-19(26)24-7-3-4-13-5-6-15(11-25)22-18(13)24/h5-6,8,10-12H,3-4,7H2,1-2H3,(H,21,23,26)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TEL-fused FGFR4 cytoplasmic/juxta membrane domain (unknown origin) expressed in mouse Ba/F3 cells assessed as reduction in FGFR4 autoph...


ACS Med Chem Lett 9: 215-220 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00485
BindingDB Entry DOI: 10.7270/Q27947C7
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM209275
PNG
(US9266883, 33)
Show SMILES CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C19H19N5O3/c1-12(2)27-16-8-17(21-10-14(16)9-20)23-19(26)24-7-3-4-13-5-6-15(11-25)22-18(13)24/h5-6,8,10-12H,3-4,7H2,1-2H3,(H,21,23,26)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.700n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Mus musculus)
BDBM209275
PNG
(US9266883, 33)
Show SMILES CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C19H19N5O3/c1-12(2)27-16-8-17(21-10-14(16)9-20)23-19(26)24-7-3-4-13-5-6-15(11-25)22-18(13)24/h5-6,8,10-12H,3-4,7H2,1-2H3,(H,21,23,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 28n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Mus musculus)
BDBM209275
PNG
(US9266883, 33)
Show SMILES CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C19H19N5O3/c1-12(2)27-16-8-17(21-10-14(16)9-20)23-19(26)24-7-3-4-13-5-6-15(11-25)22-18(13)24/h5-6,8,10-12H,3-4,7H2,1-2H3,(H,21,23,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 29n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM209275
PNG
(US9266883, 33)
Show SMILES CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C19H19N5O3/c1-12(2)27-16-8-17(21-10-14(16)9-20)23-19(26)24-7-3-4-13-5-6-15(11-25)22-18(13)24/h5-6,8,10-12H,3-4,7H2,1-2H3,(H,21,23,26)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of FGFR4 (388 to 802 residues) (unknown origin) using 5-Fluo-Ahx-KKKKEEIYFFFG-NH2 as substrate after 60 mins by microfluidic mobility shif...


ACS Med Chem Lett 9: 215-220 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00485
BindingDB Entry DOI: 10.7270/Q27947C7
More data for this
Ligand-Target Pair