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BDBM50134722 5alpha-androst-16-en-3alpha-ol::CHEMBL142348

SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC=C2

InChI Key: InChIKey=KRVXMNNRSSQZJP-PHFHYRSDSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50134722   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Constitutive androstane receptor


(Mus musculus)
BDBM50134722
PNG
(5alpha-androst-16-en-3alpha-ol | CHEMBL142348)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC=C2
Show InChI InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1
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MMDB

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n/an/a 250n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mammalian m-constitutive androstane receptor (mCAR) activity


J Med Chem 46: 4687-95 (2003)


Article DOI: 10.1021/jm030861t
BindingDB Entry DOI: 10.7270/Q2HX1DFR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)