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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 = 'BDBM351564'   
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))		BDBM351564
PNG
(US9796710, Compound 3)
Show SMILES CC[C@@H]1N(C[C@H]2CC[C@H](OC2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H](CO)c1ccc(cn1)S(=O)(=O)CC |r|
Show InChI InChI=1S/C26H33F3N4O5S/c1-3-22-24-18(13-33(22)12-16-5-8-23(38-15-16)26(27,28)29)9-17(10-31-24)25(35)32-21(14-34)20-7-6-19(11-30-20)39(36,37)4-2/h6-7,9-11,16,21-23,34H,3-5,8,12-15H2,1-2H3,(H,32,35)/t16-,21+,22+,23+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to ROR in a cell-free competition assay with commercially available radio-ligand (...

US Patent US9796710 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3B08
More data for this
Ligand-Target Pair