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BDBM50392789 CHEMBL2151319::US8486966, 3

SMILES: C[C@H](Nc1ccc2ncn(-c3cc([nH]n3)C3CC3)c2n1)c1ncc(F)cn1

InChI Key: InChIKey=YKPNHIXFGPKGEI-JTQLQIEISA-N

Data: 2 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 2 hits for monomerid = 50392789   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50392789
PNG
(CHEMBL2151319 | US8486966, 3)
Show SMILES C[C@H](Nc1ccc2ncn(-c3cc([nH]n3)C3CC3)c2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C18H17FN8/c1-10(17-20-7-12(19)8-21-17)23-15-5-4-13-18(24-15)27(9-22-13)16-6-14(25-26-16)11-2-3-11/h4-11H,2-3H2,1H3,(H,23,24)(H,25,26)/t10-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50392789
PNG
(CHEMBL2151319 | US8486966, 3)
Show SMILES C[C@H](Nc1ccc2ncn(-c3cc([nH]n3)C3CC3)c2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C18H17FN8/c1-10(17-20-7-12(19)8-21-17)23-15-5-4-13-18(24-15)27(9-22-13)16-6-14(25-26-16)11-2-3-11/h4-11H,2-3H2,1H3,(H,23,24)(H,25,26)/t10-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...


US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair