BDBM329724 (3S,4R)-1-(1-(2-chloro-6-cyclopropylbenzoyl)-4-fluoro-1H-indazol-3-yl)-3-hydroxypiperidine-4-carboxylic acid::US9663522, 6B

SMILES c1cc(c(c(c1)Cl)C(=O)n2c3cccc(c3c(n2)N4CC[C@H]([C@@H](C4)O)C(=O)O)F)C5CC5

InChI Key InChIKey=IBIKHMZPHNKTHM-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 329724   

TargetNuclear receptor ROR-gamma(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM329724(US9663522, 6B | (3S,4R)-1-(1-(2-chloro-6-cycloprop...)
Affinity DataIC50: 29nMAssay Description:The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2019
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM329724(US9663522, 6B | (3S,4R)-1-(1-(2-chloro-6-cycloprop...)
Affinity DataIC50: 1nMAssay Description:Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM329724(US9663522, 6B | (3S,4R)-1-(1-(2-chloro-6-cycloprop...)
Affinity DataIC50: 49nMAssay Description:Allosteric inhibition of yeast GAL4 DNA domain-fused RORgammat LBD (97 to 518 residues) (unknown origin) expressed in HEK293T cells after 20 to 22 hr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM329724(US9663522, 6B | (3S,4R)-1-(1-(2-chloro-6-cycloprop...)
Affinity DataIC50: 13nMAssay Description:Allosteric inhibition of RORgammaT in IL-1B/IL-23/IL-2/IL-6/T-Activator CD3/28 Dynabeads-stimulated human PBMC cells assessed as reduction in Th17 di...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)