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BDBM332517 4-(1-(2-chloro-6- cyclopropylbenzoyl)-1H- indazol-3-yl)-3,5- difluorobenzoic acid::US10196354, Example 33B::US9745265, 33B

SMILES: OC(=O)c1cc(F)c(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3ccccc23)c(F)c1

InChI Key: InChIKey=AAADBGOEWPPOQQ-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 = 332517   
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)
BDBM332517
PNG
(4-(1-(2-chloro-6- cyclopropylbenzoyl)-1H- indazol-...)
Show SMILES OC(=O)c1cc(F)c(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3ccccc23)c(F)c1
Show InChI InChI=1S/C24H15ClF2N2O3/c25-16-6-3-5-14(12-8-9-12)20(16)23(30)29-19-7-2-1-4-15(19)22(28-29)21-17(26)10-13(24(31)32)11-18(21)27/h1-7,10-12H,8-9H2,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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))
BDBM332517
PNG
(4-(1-(2-chloro-6- cyclopropylbenzoyl)-1H- indazol-...)
Show SMILES OC(=O)c1cc(F)c(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3ccccc23)c(F)c1
Show InChI InChI=1S/C24H15ClF2N2O3/c25-16-6-3-5-14(12-8-9-12)20(16)23(30)29-19-7-2-1-4-15(19)22(28-29)21-17(26)10-13(24(31)32)11-18(21)27/h1-7,10-12H,8-9H2,(H,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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