BindingDB logo
myBDB logout

BDBM183243 US9150546, I-414::US9688643, I-414::US9718790, I-0413

SMILES: CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(CC(=O)NC(CO)CO)c(=O)n1Cc1ccc(C)cc1

InChI Key: InChIKey=UEHTZRMWTIRNBJ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 183243   
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))
BDBM183243
PNG
(US9150546, I-414 | US9688643, I-414 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(CC(=O)NC(CO)CO)c(=O)n1Cc1ccc(C)cc1
Show InChI InChI=1S/C25H30FN5O6/c1-15(2)37-21-9-8-18(10-20(21)26)28-23-29-24(35)31(12-22(34)27-19(13-32)14-33)25(36)30(23)11-17-6-4-16(3)5-7-17/h4-10,15,19,32-33H,11-14H2,1-3H3,(H,27,34)(H,28,29,35)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183243
PNG
(US9150546, I-414 | US9688643, I-414 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(CC(=O)NC(CO)CO)c(=O)n1Cc1ccc(C)cc1
Show InChI InChI=1S/C25H30FN5O6/c1-15(2)37-21-9-8-18(10-20(21)26)28-23-29-24(35)31(12-22(34)27-19(13-32)14-33)25(36)30(23)11-17-6-4-16(3)5-7-17/h4-10,15,19,32-33H,11-14H2,1-3H3,(H,27,34)(H,28,29,35)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)


BindingDB Entry DOI: 10.7270/Q22809KB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM183243
PNG
(US9150546, I-414 | US9688643, I-414 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(CC(=O)NC(CO)CO)c(=O)n1Cc1ccc(C)cc1
Show InChI InChI=1S/C25H30FN5O6/c1-15(2)37-21-9-8-18(10-20(21)26)28-23-29-24(35)31(12-22(34)27-19(13-32)14-33)25(36)30(23)11-17-6-4-16(3)5-7-17/h4-10,15,19,32-33H,11-14H2,1-3H3,(H,27,34)(H,28,29,35)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7n/an/an/an/an/an/a



SRMLSC

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 US9688643 (2017)


BindingDB Entry DOI: 10.7270/Q2M32SZ2
More data for this
Ligand-Target Pair