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BDBM319841 3-(Cyclopropylmethoxy)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-(5-methyl-1,3-thiazol-2-yl)benzamide::US10174016, Example 8

SMILES: C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1

InChI Key: InChIKey=ZZPHBEIBURIANJ-OAHLLOKOSA-N

Data: 4 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 4 hits for monomerid = 319841   
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))
BDBM319841
PNG
(3-(Cyclopropylmethoxy)-N-[(1R)-1-(6-methylpyridazi...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1
Show InChI InChI=1S/C22H24N4O2S/c1-13-4-7-20(26-25-13)15(3)24-21(27)17-8-18(22-23-11-14(2)29-22)10-19(9-17)28-12-16-5-6-16/h4,7-11,15-16H,5-6,12H2,1-3H3,(H,24,27)/t15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 2


(HUMAN)
BDBM319841
PNG
(3-(Cyclopropylmethoxy)-N-[(1R)-1-(6-methylpyridazi...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1
Show InChI InChI=1S/C22H24N4O2S/c1-13-4-7-20(26-25-13)15(3)24-21(27)17-8-18(22-23-11-14(2)29-22)10-19(9-17)28-12-16-5-6-16/h4,7-11,15-16H,5-6,12H2,1-3H3,(H,24,27)/t15-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 90n/an/an/an/an/an/a



BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM319841
PNG
(3-(Cyclopropylmethoxy)-N-[(1R)-1-(6-methylpyridazi...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1
Show InChI InChI=1S/C22H24N4O2S/c1-13-4-7-20(26-25-13)15(3)24-21(27)17-8-18(22-23-11-14(2)29-22)10-19(9-17)28-12-16-5-6-16/h4,7-11,15-16H,5-6,12H2,1-3H3,(H,24,27)/t15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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



BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 2


(HUMAN)
BDBM319841
PNG
(3-(Cyclopropylmethoxy)-N-[(1R)-1-(6-methylpyridazi...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1
Show InChI InChI=1S/C22H24N4O2S/c1-13-4-7-20(26-25-13)15(3)24-21(27)17-8-18(22-23-11-14(2)29-22)10-19(9-17)28-12-16-5-6-16/h4,7-11,15-16H,5-6,12H2,1-3H3,(H,24,27)/t15-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 90n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)

More data for this
Ligand-Target Pair