BDBM50510066 CHEMBL4476183

SMILES: [H][C@]12CCN(C(=O)OC(C)(C)C)[C@@]1([H])c1ccc3CCCCc3c1N[C@H]2c1ccsc1

InChI Key: InChIKey=QXEBBPGCVMMMOF-URVUXULASA-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 = 50510066   

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))	BDBM50510066 (CHEMBL4476183) Show SMILES [H][C@]12CCN(C(=O)OC(C)(C)C)[C@@]1([H])c1ccc3CCCCc3c1N[C@H]2c1ccsc1 |r| Show InChI InChI=1S/C24H30N2O2S/c1-24(2,3)28-23(27)26-12-10-19-20(16-11-13-29-14-16)25-21-17-7-5-4-6-15(17)8-9-18(21)22(19)26/h8-9,11,13-14,19-20,22,25H,4-7,10,12H2,1-3H3/t19-,20+,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Agonist activity at PXR (unknown origin) by AlphaScreen assay				ACS Med Chem Lett 10: 677-681 (2019) Article DOI: 10.1021/acsmedchemlett.8b00459
					More data for this Ligand-Target Pair