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BDBM332430 4-(4-chloro-1- (2-chloro-6- cyclopropyl- benzoyl)-1H- indazol-3-yl)- 3-fluoro benzoic acid::US10196354, Example 1Z::US9745265, 1Z

SMILES: OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3cccc(Cl)c23)c(F)c1

InChI Key: InChIKey=ALIZPFBIRRYJQJ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 332430   
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)
BDBM332430
PNG
(4-(4-chloro-1- (2-chloro-6- cyclopropyl- benzoyl)-...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3cccc(Cl)c23)c(F)c1
Show InChI InChI=1S/C24H15Cl2FN2O3/c25-16-4-1-3-14(12-7-8-12)20(16)23(30)29-19-6-2-5-17(26)21(19)22(28-29)15-10-9-13(24(31)32)11-18(15)27/h1-6,9-12H,7-8H2,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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))
BDBM332430
PNG
(4-(4-chloro-1- (2-chloro-6- cyclopropyl- benzoyl)-...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3cccc(Cl)c23)c(F)c1
Show InChI InChI=1S/C24H15Cl2FN2O3/c25-16-4-1-3-14(12-7-8-12)20(16)23(30)29-19-6-2-5-17(26)21(19)22(28-29)15-10-9-13(24(31)32)11-18(15)27/h1-6,9-12H,7-8H2,(H,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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