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SMILES: OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3COCCc23)c(F)c1

InChI Key: InChIKey=UKOWQWJTGXENJU-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 359506   
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))		BDBM359506
PNG
(US10221142, Example 9A)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3COCCc23)c(F)c1
Show InChI InChI=1S/C23H18ClFN2O4/c24-17-3-1-2-14(12-4-5-12)20(17)22(28)27-19-11-31-9-8-16(19)21(26-27)15-7-6-13(23(29)30)10-18(15)25/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/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