BindingDB logo
myBDB logout

BDBM320061 Ethyl (3S)-3-[3-(5-methyl-1,3-thiazol-2-yl)-5-({(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl}carbamoyl)phenoxy]pyrrolidine-1-carboxylate::US10174016, Example 228

SMILES: CCOC(=O)N1CC[C@@H](C1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=ZKABVOKJBCLEBM-BEFAXECRSA-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 = 320061   
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))
BDBM320061
PNG
(Ethyl (3S)-3-[3-(5-methyl-1,3-thiazol-2-yl)-5-({(1...)
Show SMILES CCOC(=O)N1CC[C@@H](C1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N5O4S/c1-4-36-24(35)33-6-5-19(13-33)37-20-8-16(7-17(9-20)22-29-10-14(2)38-22)21(34)32-15(3)18-11-30-23(31-12-18)25(26,27)28/h7-12,15,19H,4-6,13H2,1-3H3,(H,32,34)/t15-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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)
BDBM320061
PNG
(Ethyl (3S)-3-[3-(5-methyl-1,3-thiazol-2-yl)-5-({(1...)
Show SMILES CCOC(=O)N1CC[C@@H](C1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N5O4S/c1-4-36-24(35)33-6-5-19(13-33)37-20-8-16(7-17(9-20)22-29-10-14(2)38-22)21(34)32-15(3)18-11-30-23(31-12-18)25(26,27)28/h7-12,15,19H,4-6,13H2,1-3H3,(H,32,34)/t15-,19+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 54n/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))
BDBM320061
PNG
(Ethyl (3S)-3-[3-(5-methyl-1,3-thiazol-2-yl)-5-({(1...)
Show SMILES CCOC(=O)N1CC[C@@H](C1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N5O4S/c1-4-36-24(35)33-6-5-19(13-33)37-20-8-16(7-17(9-20)22-29-10-14(2)38-22)21(34)32-15(3)18-11-30-23(31-12-18)25(26,27)28/h7-12,15,19H,4-6,13H2,1-3H3,(H,32,34)/t15-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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)
BDBM320061
PNG
(Ethyl (3S)-3-[3-(5-methyl-1,3-thiazol-2-yl)-5-({(1...)
Show SMILES CCOC(=O)N1CC[C@@H](C1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N5O4S/c1-4-36-24(35)33-6-5-19(13-33)37-20-8-16(7-17(9-20)22-29-10-14(2)38-22)21(34)32-15(3)18-11-30-23(31-12-18)25(26,27)28/h7-12,15,19H,4-6,13H2,1-3H3,(H,32,34)/t15-,19+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 54n/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