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BDBM272046 US10065941, Compound I-267::US9732060, Compound I-267

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

InChI Key: InChIKey=XTVCOIGQXBNRSE-IBGZPJMESA-N

Data: 2 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 2 hits for monomerid = 272046   
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 3


(Homo sapiens (Human))
BDBM272046
PNG
(US10065941, Compound I-267 | US9732060, Compound I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cn3)C(C)=O)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C29H29N5O6/c1-18-5-7-21(8-6-18)17-33-27(32-28(37)34(29(33)38)16-19(2)26(36)39-4)31-23-10-12-24(13-11-23)40-25-14-9-22(15-30-25)20(3)35/h5-15,19H,16-17H2,1-4H3,(H,31,32,37)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/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 US9732060 (2017)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (Human))
BDBM272046
PNG
(US10065941, Compound I-267 | US9732060, Compound I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cn3)C(C)=O)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C29H29N5O6/c1-18-5-7-21(8-6-18)17-33-27(32-28(37)34(29(33)38)16-19(2)26(36)39-4)31-23-10-12-24(13-11-23)40-25-14-9-22(15-30-25)20(3)35/h5-15,19H,16-17H2,1-4H3,(H,31,32,37)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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