BDBM50355759 CHEMBL1911299

SMILES: CNc1c(C)c2O[C@]3(C)O\C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C\C=C(C)/C(=O)NC4=C(\C=N\N5CCN(C)CC5)C(=O)c(c2C3=O)c1C4=O

InChI Key: InChIKey=QNGWXSBXUMRSEC-YSLUFWIUSA-N

Data: 1 EC50

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 = 50355759   

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
Pregnane X receptor (Homo sapiens (Human))	BDBM50355759 (CHEMBL1911299) Show SMILES CNc1c(C)c2O[C@]3(C)O\C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C\C=C(C)/C(=O)NC4=C(\C=N\N5CCN(C)CC5)C(=O)c(c2C3=O)c1C4=O |r,c:40,t:10,32,34| Show InChI InChI=1S/C44H59N5O11/c1-22-13-12-14-23(2)43(56)47-35-29(21-46-49-18-16-48(10)17-19-49)38(53)31-32(39(35)54)34(45-9)25(4)41-33(31)42(55)44(8,60-41)58-20-15-30(57-11)24(3)40(59-28(7)50)27(6)37(52)26(5)36(22)51/h12-15,20-22,24,26-27,30,36-37,40,45,51-52H,16-19H2,1-11H3,(H,47,56)/b13-12+,20-15+,23-14-,46-21+/t22-,24+,26+,27+,30-,36-,37+,40+,44-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Activation of human PXR in DPX2 cells after 24 hrs by microplate reader relative to control				Bioorg Med Chem Lett 21: 6094-9 (2011) Article DOI: 10.1016/j.bmcl.2011.08.054 BindingDB Entry DOI: 10.7270/Q2R78FMB
					More data for this Ligand-Target Pair