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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM359574'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359574
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)N2CC[C@H](C2)C#N)c(F)c1 |r|
Show InChI InChI=1S/C31H25ClF4N4O4/c32-22-3-1-2-21(30(9-10-30)31(34,35)36)25(22)28(42)40-24-13-17(27(41)39-11-8-16(14-37)15-39)4-7-20(24)26(38-40)19-6-5-18(29(43)44)12-23(19)33/h1-3,5-6,12,16-17H,4,7-11,13,15H2,(H,43,44)/t16-,17?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/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