Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-alpha' and Ligand = 'BDBM498081'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM498081 ((5'S)-N-[4- (Ethylsulfonyl)benzyl]- 5'-methyl-1-{1...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)C(C)c4cnc(nc4C)C(F)(F)F)c3s2)cc1 |r| Show InChI InChI=1S/C30H35F3N4O4S2/c1-5-43(39,40)23-8-6-21(7-9-23)16-34-27(38)25-15-22-14-18(2)41-29(26(22)42-25)10-12-37(13-11-29)20(4)24-17-35-28(30(31,32)33)36-19(24)3/h6-9,15,17-18,20H,5,10-14,16H2,1-4H3,(H,34,38)/t18-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	698	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...				US Patent US11008336 (2021) BindingDB Entry DOI: 10.7270/Q2W380G1
					More data for this Ligand-Target Pair