BindingDB logo
myBDB logout

BDBM332470 4-(1-(2-chloro- 6- (trifluoromethyl) benzoyl)-6-(5- methyloxazol- 2-yl)-1H- indazol-3-yl)-3- fluorobenzoic acid::US10196354, Example 9B::US9745265, 9B

SMILES: Cc1cnc(o1)-c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1F)C(O)=O

InChI Key: InChIKey=SQPYZFSEMVSKBI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 332470   
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
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM332470
PNG
(4-(1-(2-chloro- 6- (trifluoromethyl) benzoyl)-6-(5...)
Show SMILES Cc1cnc(o1)-c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C26H14ClF4N3O4/c1-12-11-32-23(38-12)13-5-8-16-20(10-13)34(24(35)21-17(26(29,30)31)3-2-4-18(21)27)33-22(16)15-7-6-14(25(36)37)9-19(15)28/h2-11H,1H3,(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9745265 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM332470
PNG
(4-(1-(2-chloro- 6- (trifluoromethyl) benzoyl)-6-(5...)
Show SMILES Cc1cnc(o1)-c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C26H14ClF4N3O4/c1-12-11-32-23(38-12)13-5-8-16-20(10-13)34(24(35)21-17(26(29,30)31)3-2-4-18(21)27)33-22(16)15-7-6-14(25(36)37)9-19(15)28/h2-11H,1H3,(H,36,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...


US Patent US10196354 (2019)

More data for this
Ligand-Target Pair