BDBM50044175 CHEMBL3313987

SMILES: [H][C@@]1(C[C@H](O)[C@]([H])(O[C@H]2C[C@H](O)[C@H](O[C@@]3([H])C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@]([H])(CC[C@]3([H])[C@]2([H])C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C(CO)CCO)C1

InChI Key: InChIKey=WVAFSWYVSJYKKW-CFKRRBBYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50044175   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50044175 (CHEMBL3313987) Show SMILES [H][C@@]1(C[C@H](O)[C@]([H])(O[C@H]2C[C@H](O)[C@H](O[C@@]3([H])C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@]([H])(CC[C@]3([H])[C@]2([H])C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C(CO)CCO)C1 |r| Show InChI InChI=1S/C41H70O14/c1-20-36(48)29(44)16-34(50-20)54-38-22(3)52-35(18-31(38)46)55-37-21(2)51-33(17-30(37)45)53-25-8-11-39(4)24(14-25)6-7-27-28(39)15-32(47)40(5)26(9-12-41(27,40)49)23(19-43)10-13-42/h20-38,42-49H,6-19H2,1-5H3/t20-,21-,22-,23?,24-,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to RORgamma (unknown origin)				J Med Chem 57: 5871-92 (2014) Article DOI: 10.1021/jm401901d BindingDB Entry DOI: 10.7270/Q2M0473Z
					More data for this Ligand-Target Pair