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BDBM50446373 CHEMBL3109624

SMILES: Cc1[nH]c2ccccc2c1C(Nc1ccc(C)c(C)c1)c1ccccc1Cl

InChI Key: InChIKey=OHPHITAKOZIRQQ-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 = 50446373   
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))
BDBM50446373
PNG
(CHEMBL3109624)
Show SMILES Cc1[nH]c2ccccc2c1C(Nc1ccc(C)c(C)c1)c1ccccc1Cl
Show InChI InChI=1S/C24H23ClN2/c1-15-12-13-18(14-16(15)2)27-24(19-8-4-6-10-21(19)25)23-17(3)26-22-11-7-5-9-20(22)23/h4-14,24,26-27H,1-3H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.28E+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
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50446373
PNG
(CHEMBL3109624)
Show SMILES Cc1[nH]c2ccccc2c1C(Nc1ccc(C)c(C)c1)c1ccccc1Cl
Show InChI InChI=1S/C24H23ClN2/c1-15-12-13-18(14-16(15)2)27-24(19-8-4-6-10-21(19)25)23-17(3)26-22-11-7-5-9-20(22)23/h4-14,24,26-27H,1-3H3
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 590n/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