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SMILES: CO[C@H]1CCN(C1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O

InChI Key: InChIKey=YBBWSYMSKCZLKW-DAFXYXGESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 256379   
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
Isoform 2 of Nuclear receptor ROR-gamma (RORgT)


(Homo sapiens (Human))		BDBM256379
PNG
(US9487490, 4AA)
Show SMILES CO[C@H]1CCN(C1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |r,t:35|
Show InChI InChI=1S/C28H25ClF3N3O5/c1-40-18-11-12-34(14-18)25(36)17-9-10-19-22(13-17)35(33-24(19)15-5-7-16(8-6-15)27(38)39)26(37)23-20(28(30,31)32)3-2-4-21(23)29/h2-5,9-10,13,16,18H,6-8,11-12,14H2,1H3,(H,38,39)/t16?,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/an/an/an/a7.04



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...

US Patent US9487490 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ6WQN
More data for this
Ligand-Target Pair