BindingDB logo
myBDB logout

BDBM332432 4-(1-(2- chloro-6- cyclobutyl- benzoyl)-1H- pyrazolo[4,3- b]pyridin-3- yl)-3-fluoro- benzoic acid::US10196354, Example 1AB::US9745265, 1AB

SMILES: OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CCC3)c3cccnc23)c(F)c1

InChI Key: InChIKey=CKFNTMBCGYATAC-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 = 332432   
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)
BDBM332432
PNG
(4-(1-(2- chloro-6- cyclobutyl- benzoyl)-1H- pyrazo...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CCC3)c3cccnc23)c(F)c1
Show InChI InChI=1S/C24H17ClFN3O3/c25-17-7-2-6-15(13-4-1-5-13)20(17)23(30)29-19-8-3-11-27-22(19)21(28-29)16-10-9-14(24(31)32)12-18(16)26/h2-3,6-13H,1,4-5H2,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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))
BDBM332432
PNG
(4-(1-(2- chloro-6- cyclobutyl- benzoyl)-1H- pyrazo...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CCC3)c3cccnc23)c(F)c1
Show InChI InChI=1S/C24H17ClFN3O3/c25-17-7-2-6-15(13-4-1-5-13)20(17)23(30)29-19-8-3-11-27-22(19)21(28-29)16-10-9-14(24(31)32)12-18(16)26/h2-3,6-13H,1,4-5H2,(H,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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