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BDBM371652 (R)-4-(2-(2-methyloxazol-4-yl)-4-(trifluoromethyl)phenyl)-N-(pyrimidin-4-yl)chroman-7-sulfonamide::US10239869, Example 78

SMILES: Cc1nc(co1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F

InChI Key: InChIKey=QGMBWOGCDHGIBF-GOSISDBHSA-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 = 371652   
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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM371652
PNG
((R)-4-(2-(2-methyloxazol-4-yl)-4-(trifluoromethyl)...)
Show SMILES Cc1nc(co1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1S/C24H19F3N4O4S/c1-14-30-21(12-35-14)20-10-15(24(25,26)27)2-4-17(20)18-7-9-34-22-11-16(3-5-19(18)22)36(32,33)31-23-6-8-28-13-29-23/h2-6,8,10-13,18H,7,9H2,1H3,(H,28,29,31)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



University of California at San Francisco



Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37° C./5% CO2 f...


J Med Chem 51: 545-52 (2008)


BindingDB Entry DOI: 10.7270/Q2NG4SZX
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha/beta-1/beta-2


(Homo sapiens (Human))
BDBM371652
PNG
((R)-4-(2-(2-methyloxazol-4-yl)-4-(trifluoromethyl)...)
Show SMILES Cc1nc(co1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1S/C24H19F3N4O4S/c1-14-30-21(12-35-14)20-10-15(24(25,26)27)2-4-17(20)18-7-9-34-22-11-16(3-5-19(18)22)36(32,33)31-23-6-8-28-13-29-23/h2-6,8,10-13,18H,7,9H2,1H3,(H,28,29,31)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.17E+3n/an/an/an/an/an/a



Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.5 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...


J Med Chem 63: 6107-6133 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM371652
PNG
((R)-4-(2-(2-methyloxazol-4-yl)-4-(trifluoromethyl)...)
Show SMILES Cc1nc(co1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1S/C24H19F3N4O4S/c1-14-30-21(12-35-14)20-10-15(24(25,26)27)2-4-17(20)18-7-9-34-22-11-16(3-5-19(18)22)36(32,33)31-23-6-8-28-13-29-23/h2-6,8,10-13,18H,7,9H2,1H3,(H,28,29,31)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...


J Med Chem 63: 6107-6133 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM371652
PNG
((R)-4-(2-(2-methyloxazol-4-yl)-4-(trifluoromethyl)...)
Show SMILES Cc1nc(co1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1S/C24H19F3N4O4S/c1-14-30-21(12-35-14)20-10-15(24(25,26)27)2-4-17(20)18-7-9-34-22-11-16(3-5-19(18)22)36(32,33)31-23-6-8-28-13-29-23/h2-6,8,10-13,18H,7,9H2,1H3,(H,28,29,31)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.17E+3n/an/an/an/an/an/a



University of California at San Francisco



Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37° C./5% CO2 f...


J Med Chem 51: 545-52 (2008)


BindingDB Entry DOI: 10.7270/Q2NG4SZX
More data for this
Ligand-Target Pair