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BDBM296317 US10112937, Example 426

SMILES: C[C@H]1Cc2c(CN1C(=O)c1ccnc(c1O)C(F)(F)F)nnn2-c1ncc(F)cn1

InChI Key: InChIKey=CRCXLRPJGOZQQH-QMMMGPOBSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 296317   
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
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM296317
PNG
(US10112937, Example 426)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccnc(c1O)C(F)(F)F)nnn2-c1ncc(F)cn1
Show InChI InChI=1S/C17H13F4N7O2/c1-8-4-12-11(25-26-28(12)16-23-5-9(18)6-24-16)7-27(8)15(30)10-2-3-22-14(13(10)29)17(19,20)21/h2-3,5-6,8,29H,4,7H2,1H3/t8-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/a7.4n/a



Janssen Pharmaceutica NV

US Patent


Assay Description
1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM296317
PNG
(US10112937, Example 426)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccnc(c1O)C(F)(F)F)nnn2-c1ncc(F)cn1
Show InChI InChI=1S/C17H13F4N7O2/c1-8-4-12-11(25-26-28(12)16-23-5-9(18)6-24-16)7-27(8)15(30)10-2-3-22-14(13(10)29)17(19,20)21/h2-3,5-6,8,29H,4,7H2,1H3/t8-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/a7.4n/a



Janssen Pharmaceutica NV

US Patent


Assay Description
1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair