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BDBM50457828 CHEMBL4218103

SMILES: Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O

InChI Key: InChIKey=OTXIWIXBZNTJGG-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 = 50457828   
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
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50457828
PNG
(CHEMBL4218103)
Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O
Show InChI InChI=1S/C24H24F3N5O4/c1-31-14-16(13-29-31)15-2-7-21(20(12-15)22(28)33)35-18-8-10-32(11-9-18)23(34)30-17-3-5-19(6-4-17)36-24(25,26)27/h2-7,12-14,18H,8-11H2,1H3,(H2,28,33)(H,30,34)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc...


J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50457828
PNG
(CHEMBL4218103)
Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O
Show InChI InChI=1S/C24H24F3N5O4/c1-31-14-16(13-29-31)15-2-7-21(20(12-15)22(28)33)35-18-8-10-32(11-9-18)23(34)30-17-3-5-19(6-4-17)36-24(25,26)27/h2-7,12-14,18H,8-11H2,1H3,(H2,28,33)(H,30,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkB in human U2OS cells assessed as inhibition of BDNF-induced receptor phosphorylation by measuring reduction...


J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50457828
PNG
(CHEMBL4218103)
Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O
Show InChI InChI=1S/C24H24F3N5O4/c1-31-14-16(13-29-31)15-2-7-21(20(12-15)22(28)33)35-18-8-10-32(11-9-18)23(34)30-17-3-5-19(6-4-17)36-24(25,26)27/h2-7,12-14,18H,8-11H2,1H3,(H2,28,33)(H,30,34)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by fluorescence polarization assay


J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50457828
PNG
(CHEMBL4218103)
Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O
Show InChI InChI=1S/C24H24F3N5O4/c1-31-14-16(13-29-31)15-2-7-21(20(12-15)22(28)33)35-18-8-10-32(11-9-18)23(34)30-17-3-5-19(6-4-17)36-24(25,26)27/h2-7,12-14,18H,8-11H2,1H3,(H2,28,33)(H,30,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkC in human U2OS cells assessed as inhibition of NT3-induced receptor phosphorylation by measuring reduction ...


J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair