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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 = 'BDBM365636'   
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))		BDBM365636
PNG
(US9868748, I-A19)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)-c4ccc(=O)n(C)c4)Cc3s2)cc1
Show InChI InChI=1S/C31H34N4O4S2/c1-5-41(38,39)25-13-8-21(9-14-25)16-27(36)32-31-33-29-26(40-31)19-35(30(29)20(2)3)17-22-6-10-23(11-7-22)24-12-15-28(37)34(4)18-24/h6-15,18,20,30H,5,16-17,19H2,1-4H3,(H,32,33,36)/t30-/m0/s1
PDB

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US Patent
<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



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

J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair