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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM50389855'   
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


(Homo sapiens (Human))
BDBM50389855
PNG
(CHEMBL2070872)
Show SMILES Cc1[nH]c2ccccc2c1C(Nc1ccc(C)cc1)c1ccccc1Cl
Show InChI InChI=1S/C23H21ClN2/c1-15-11-13-17(14-12-15)26-23(18-7-3-5-9-20(18)24)22-16(2)25-21-10-6-4-8-19(21)22/h3-14,23,25-26H,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.20E+3n/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Inhibition of CMV-VDR expressed in human HEK293T cells assessed as inhibition of 1,25-(OH)2D3-induced CYP24A1 promoter transcription after 16 hrs by ...


J Med Chem 55: 4640-51 (2012)


Article DOI: 10.1021/jm300460c
BindingDB Entry DOI: 10.7270/Q2HD7WRP
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50389855
PNG
(CHEMBL2070872)
Show SMILES Cc1[nH]c2ccccc2c1C(Nc1ccc(C)cc1)c1ccccc1Cl
Show InChI InChI=1S/C23H21ClN2/c1-15-11-13-17(14-12-15)26-23(18-7-3-5-9-20(18)24)22-16(2)25-21-10-6-4-8-19(21)22/h3-14,23,25-26H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.77E+4n/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Inhibition of LG190178-induced VDR-LBD interaction to Alexa Fluor 647-labeled SRC2-3 after 3 hrs by fluorescence polarization assay


J Med Chem 55: 4640-51 (2012)


Article DOI: 10.1021/jm300460c
BindingDB Entry DOI: 10.7270/Q2HD7WRP
More data for this
Ligand-Target Pair