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BDBM319995 3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiazol-2-yl)-N-{(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl}benzamide::US10174016, Example 162::US10174016, Example 338::US10202369, Example 339

SMILES: CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F

InChI Key:

Data: 19 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 19 hits for monomerid = 319995   
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))
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
PDB

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US Patent




US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
PDB
MMDB

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n/an/a>2.00E+4n/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))
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
PDB

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US Patent US10183937 (2019)


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


(Homo sapiens (Human))
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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 2


(Homo sapiens (Human))
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 74n/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))
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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 2


(Homo sapiens (Human))
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 72n/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))
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent




US Patent US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 74n/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))
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
PDB

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Bayer Aktiengesellschaft

US Patent




US Patent US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
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PC sid
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n/an/a 72n/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))
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
PDB

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n/an/a 5n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent




US Patent US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 251n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent




US Patent US10202369 (2019)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent




US Patent US10202369 (2019)

More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
PDB

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UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent




US Patent US10202369 (2019)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
PDB
MMDB

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UniChem
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n/an/a>2.00E+4n/an/an/an/an/an/a



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US Patent




US Patent US10202369 (2019)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+4n/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))
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 72n/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