Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM497553'   

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-gamma (Homo sapiens (Human))	BDBM497553 (2-[[5-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-di...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-c1ccc(NCCO)nc1 |r,THB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C28H26F2N6O/c1-27(2)18-8-9-28(27,26-17(18)12-21(35-36-26)25-19(29)4-3-5-20(25)30)23-15-31-14-22(34-23)16-6-7-24(33-13-16)32-10-11-37/h3-7,12-15,18,37H,8-11H2,1-2H3,(H,32,33)/t18-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
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