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BDBM320052 3-{[(4aS,7S, 7aR)-4- methylocta- hydro- cyclopenta[b] [1,4]oxazin- 7-yl]oxy}-5- (5-methyl-1,3- thiazol-2-yl)-N- {(1R)-1-[2- (trifluoromethyl) pyrimidin-5- yl]ethyl} benzamide::US10174016, Example 219::US10202369, Example 219

SMILES: C[C@@H](NC(=O)c1cc(O[C@H]2CC[C@H]3[C@H]2OCCN3C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F

InChI Key:

Data: 6 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 6 hits for monomerid = 320052   
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))
BDBM320052
PNG
(3-{[(4aS,7S, 7aR)-4- methylocta- hydro- cyclopenta...)
Show SMILES C[C@@H](NC(=O)c1cc(O[C@H]2CC[C@H]3[C@H]2OCCN3C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent




US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320052
PNG
(3-{[(4aS,7S, 7aR)-4- methylocta- hydro- cyclopenta...)
Show SMILES C[C@@H](NC(=O)c1cc(O[C@H]2CC[C@H]3[C@H]2OCCN3C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 199n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent




US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X2/3


()
BDBM320052
PNG
(3-{[(4aS,7S, 7aR)-4- methylocta- hydro- cyclopenta...)
Show SMILES C[C@@H](NC(=O)c1cc(O[C@H]2CC[C@H]3[C@H]2OCCN3C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 199n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent




US Patent US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320052
PNG
(3-{[(4aS,7S, 7aR)-4- methylocta- hydro- cyclopenta...)
Show SMILES C[C@@H](NC(=O)c1cc(O[C@H]2CC[C@H]3[C@H]2OCCN3C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 199n/an/an/an/an/an/a



BEYER AKTIENGESELLSCHAFT

US Patent




US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320052
PNG
(3-{[(4aS,7S, 7aR)-4- methylocta- hydro- cyclopenta...)
Show SMILES C[C@@H](NC(=O)c1cc(O[C@H]2CC[C@H]3[C@H]2OCCN3C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent




US Patent US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320052
PNG
(3-{[(4aS,7S, 7aR)-4- methylocta- hydro- cyclopenta...)
Show SMILES C[C@@H](NC(=O)c1cc(O[C@H]2CC[C@H]3[C@H]2OCCN3C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



BEYER AKTIENGESELLSCHAFT

US Patent




US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair