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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 = 'BDBM365659'   
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))		BDBM365659
PNG
(US9868748, I-A42)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)-c4nnn(C)n4)Cc3s2)cc1
Show InChI InChI=1S/C27H31N7O3S2/c1-5-39(36,37)21-12-8-18(9-13-21)14-23(35)28-27-29-24-22(38-27)16-34(25(24)17(2)3)15-19-6-10-20(11-7-19)26-30-32-33(4)31-26/h6-13,17,25H,5,14-16H2,1-4H3,(H,28,29,35)/t25-/m0/s1
PDB

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PC cid
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UniChem
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