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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 = 'BDBM351562'   
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))		BDBM351562
PNG
(US9796710, Compound 2)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@@H]3CC[C@H](OC3)C(F)(F)F)Cc2c1 |r|
Show InChI InChI=1S/C28H36F3N3O5S/c1-4-40(37,38)22-8-6-19(7-9-22)23(15-35)33-27(36)20-11-21-14-34(26(17(2)3)25(21)32-12-20)13-18-5-10-24(39-16-18)28(29,30)31/h6-9,11-12,17-18,23-24,26,35H,4-5,10,13-16H2,1-3H3,(H,33,36)/t18-,23-,24-,26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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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