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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 = 'BDBM50446368'   
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))
BDBM50446368
PNG
(CHEMBL3109601)
Show SMILES Cc1[nH]c2cc(C)ccc2c1C(Nc1ccc(Cl)cc1)c1ccccc1Cl
Show InChI InChI=1S/C23H20Cl2N2/c1-14-7-12-19-21(13-14)26-15(2)22(19)23(18-5-3-4-6-20(18)25)27-17-10-8-16(24)9-11-17/h3-13,23,26-27H,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Inhibition of 1,25(OH)2D3-induced VDR (unknown origin)-mediated CYP24A1 transcription expressed in HEK293T cells after 16 hrs by luciferase reporter ...


ACS Med Chem Lett 5: 199-204 (2014)


Article DOI: 10.1021/ml400462j
BindingDB Entry DOI: 10.7270/Q2KK9D8Q
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50446368
PNG
(CHEMBL3109601)
Show SMILES Cc1[nH]c2cc(C)ccc2c1C(Nc1ccc(Cl)cc1)c1ccccc1Cl
Show InChI InChI=1S/C23H20Cl2N2/c1-14-7-12-19-21(13-14)26-15(2)22(19)23(18-5-3-4-6-20(18)25)27-17-10-8-16(24)9-11-17/h3-13,23,26-27H,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 1.56E+4n/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Inhibition of LG190178-induced VDR-LBD (unknown origin)-SRC2-3 interaction after 2 hrs by fluorescence polarization assay


ACS Med Chem Lett 5: 199-204 (2014)


Article DOI: 10.1021/ml400462j
BindingDB Entry DOI: 10.7270/Q2KK9D8Q
More data for this
Ligand-Target Pair