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BDBM359588 (R or S)-4-(1-(2- (difluoromethyl)-6- (1- (trifluoromethyl)cyclo- propyl)benzoyl)-6- (2-oxa-6- azaspiro[3.4]octane- 6-carbonyl)-4,5,6,7- tetrahydro-1H- indazol-3-yl)-3- fluorobenzoic acid::US10221142, Example 21CCC

SMILES: OC(=O)c1ccc(-c2nn(C(=O)c3c(cccc3C3(CC3)C(F)(F)F)C(F)F)c3CC(CCc23)C(=O)N2CCC3(COC3)C2)c(F)c1

InChI Key: InChIKey=WTIDMPLXMNXDCD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 359588   
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 (RORC)


(Homo sapiens (Human))		BDBM359588
PNG
((R or S)-4-(1-(2- (difluoromethyl)-6- (1- (trifluo...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(cccc3C3(CC3)C(F)(F)F)C(F)F)c3CC(CCc23)C(=O)N2CCC3(COC3)C2)c(F)c1
Show InChI InChI=1S/C33H29F6N3O5/c34-23-12-18(30(45)46)5-6-19(23)26-20-7-4-17(28(43)41-11-10-31(14-41)15-47-16-31)13-24(20)42(40-26)29(44)25-21(27(35)36)2-1-3-22(25)32(8-9-32)33(37,38)39/h1-3,5-6,12,17,27H,4,7-11,13-16H2,(H,45,46)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/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