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SMILES: OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3CC(CCc23)NC2COC2)c(F)c1

InChI Key: InChIKey=AJVMFDIVBYVMAL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 359589   
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


(Homo sapiens (Human))		BDBM359589
PNG
(US10221142, Example 22A)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3CC(CCc23)NC2COC2)c(F)c1
Show InChI InChI=1S/C27H25ClFN3O4/c28-21-3-1-2-18(14-4-5-14)24(21)26(33)32-23-11-16(30-17-12-36-13-17)7-9-20(23)25(31-32)19-8-6-15(27(34)35)10-22(19)29/h1-3,6,8,10,14,16-17,30H,4-5,7,9,11-13H2,(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 332n/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 US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair