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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 = 'BDBM359584'   
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))		BDBM359584
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CC(C2)N2CC(F)C2)c(F)c1
Show InChI InChI=1S/C32H28ClF5N4O4/c33-23-3-1-2-22(31(8-9-31)32(36,37)38)26(23)29(44)42-25-11-16(28(43)41-14-19(15-41)40-12-18(34)13-40)4-7-21(25)27(39-42)20-6-5-17(30(45)46)10-24(20)35/h1-3,5-6,10,16,18-19H,4,7-9,11-15H2,(H,45,46)
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