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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 = 'BDBM365669'   
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))		BDBM365669
PNG
(US9868748, I-A53)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2ncc(Cl)cc2F)cc1
Show InChI InChI=1S/C25H28ClFN4O3S2/c1-5-36(33,34)18-8-6-16(7-9-18)10-21(32)29-25-30-23-20(35-25)13-31(24(23)14(2)3)15(4)22-19(27)11-17(26)12-28-22/h6-9,11-12,14-15,24H,5,10,13H2,1-4H3,(H,29,30,32)/t15-,24-/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