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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM50104642'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Vitamin D3 receptor


(Rattus norvegicus)		BDBM50104642
PNG
(CHEMBL3593367)
Show SMILES [H][C@@]1(CC[C@@]2([H])\C(=C\C=C3\C[C@@H](O)C[C@H](O)[C@H]3C)C(=C)CC[C@]12C)[C@H](C)CCCC(C)(C)O |r|
Show InChI InChI=1S/C28H46O3/c1-18-13-15-28(6)24(19(2)8-7-14-27(4,5)31)11-12-25(28)23(18)10-9-21-16-22(29)17-26(30)20(21)3/h9-10,19-20,22,24-26,29-31H,1,7-8,11-17H2,2-6H3/b21-9-,23-10+/t19-,20+,22-,24-,25+,26+,28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-1alpha25-(OH)2D3 from full length recombinant rat vitamin D receptor by scintillation counting analysis

J Med Chem 58: 6237-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00795
BindingDB Entry DOI: 10.7270/Q2H133S9
More data for this
Ligand-Target Pair