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BDBM50389863 CHEMBL2070862

SMILES: COc1ccc(cc1)C(Nc1ccccc1)c1c(C)[nH]c2ccccc12

InChI Key: InChIKey=XUEXVGQESDMUCX-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50389863   
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
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50389863
PNG
(CHEMBL2070862)
Show SMILES COc1ccc(cc1)C(Nc1ccccc1)c1c(C)[nH]c2ccccc12
Show InChI InChI=1S/C23H22N2O/c1-16-22(20-10-6-7-11-21(20)24-16)23(25-18-8-4-3-5-9-18)17-12-14-19(26-2)15-13-17/h3-15,23-25H,1-2H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.12E+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
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50389863
PNG
(CHEMBL2070862)
Show SMILES COc1ccc(cc1)C(Nc1ccccc1)c1c(C)[nH]c2ccccc12
Show InChI InChI=1S/C23H22N2O/c1-16-22(20-10-6-7-11-21(20)24-16)23(25-18-8-4-3-5-9-18)17-12-14-19(26-2)15-13-17/h3-15,23-25H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.21E+4n/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