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BDBM271611 US10065941, Compound I-112

SMILES: C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(C)cn3)cc2)n(Cc2ccc(C)cc2)c1=O)C(O)=O

InChI Key: InChIKey=PLVNQMSFZJGLNW-IBGZPJMESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 271611   
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
p2x3


(Homo sapiens (human))
BDBM271611
PNG
(US10065941, Compound I-112)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(C)cn3)cc2)n(Cc2ccc(C)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C27H27N5O5/c1-17-4-7-20(8-5-17)16-31-25(30-26(35)32(27(31)36)15-19(3)24(33)34)29-21-9-11-22(12-10-21)37-23-13-6-18(2)14-28-23/h4-14,19H,15-16H2,1-3H3,(H,33,34)(H,29,30,35)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...


US Patent US10065941 (2018)

More data for this
Ligand-Target Pair