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BDBM239698 US9394309, 155

SMILES: COCCOCc1cc(cc(c1)S(F)(F)(F)(F)F)C(=O)Nc1cc(c(C)cc1C)-n1ccn2nc(cc12)-c1cccnc1

InChI Key: InChIKey=SGIDHWKWFGMQTI-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 239698   
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
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239698
PNG
(US9394309, 155)
Show SMILES COCCOCc1cc(cc(c1)S(F)(F)(F)(F)F)C(=O)Nc1cc(c(C)cc1C)-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C29H28F5N5O3S/c1-19-11-20(2)27(38-7-8-39-28(38)16-26(37-39)22-5-4-6-35-17-22)15-25(19)36-29(40)23-12-21(18-42-10-9-41-3)13-24(14-23)43(30,31,32,33)34/h4-8,11-17H,9-10,18H2,1-3H3,(H,36,40)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/a7.022



Bayer Pharma Aktiengesellschaft; Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair