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BDBM160284 US9040691, 12

SMILES: Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)[C@H]1CCCNC1

InChI Key: InChIKey=ZRCJEYZLDGRQCQ-JTQLQIEISA-N

Data: 1 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 1 hit for monomerid = 160284   
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
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160284
PNG
(US9040691, 12)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)[C@H]1CCCNC1 |r|
Show InChI InChI=1S/C18H19F2N5O/c19-14-4-11(5-15(20)13(14)8-26)12-6-16(10-2-1-3-22-7-10)25-17(12)18(21)23-9-24-25/h4-6,9-10,22,26H,1-3,7-8H2,(H2,21,23,24)/t10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5.90n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair