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SMILES: OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CCOCC2)c(F)c1

InChI Key: InChIKey=KJWBJOCCZBAAKE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 359575   
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))		BDBM359575
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CCOCC2)c(F)c1
Show InChI InChI=1S/C30H26ClF4N3O5/c31-21-3-1-2-20(29(8-9-29)30(33,34)35)24(21)27(40)38-23-15-16(26(39)37-10-12-43-13-11-37)4-7-19(23)25(36-38)18-6-5-17(28(41)42)14-22(18)32/h1-3,5-6,14,16H,4,7-13,15H2,(H,41,42)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/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