BindingDB logo
myBDB logout

BDBM50448499 CHEMBL3126841

SMILES: CCN1CC2CCC(C1)N2C(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(cc3n1C2)C(=O)NS(=O)(=O)N(C)C

InChI Key: InChIKey=MTTZZZXOFXUQFU-UHFFFAOYSA-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 = 50448499   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Pregnane X receptor


(Homo sapiens (Human))		BDBM50448499
PNG
(CHEMBL3126841)
Show SMILES CCN1CC2CCC(C1)N2C(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(cc3n1C2)C(=O)NS(=O)(=O)N(C)C |TLB:1:2:9:5.6,10:9:8.2.3:5.6|
Show InChI InChI=1S/C37H47N5O5S/c1-5-40-20-25-12-13-26(21-40)42(25)36(44)37-19-31(37)30-18-27(47-4)14-16-28(30)34-33(23-9-7-6-8-10-23)29-15-11-24(17-32(29)41(34)22-37)35(43)38-48(45,46)39(2)3/h11,14-18,23,25-26,31H,5-10,12-13,19-22H2,1-4H3,(H,38,43)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Transactivation of human PXR expressed in human HepG2 cells by luciferase reporter gene assay

J Med Chem 57: 1855-79 (2014)


Article DOI: 10.1021/jm4016894
BindingDB Entry DOI: 10.7270/Q2V989JD
More data for this
Ligand-Target Pair