BindingDB logo
myBDB logout

BDBM50446355 CHEMBL3109618

SMILES: Cc1nc2cc(NC(c3c(C)[nH]c4ccccc34)c3ccccc3Cl)ccc2s1

InChI Key: InChIKey=GCSKLLBVPVSKGW-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 = 50446355   
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))
BDBM50446355
PNG
(CHEMBL3109618)
Show SMILES Cc1nc2cc(NC(c3c(C)[nH]c4ccccc34)c3ccccc3Cl)ccc2s1
Show InChI InChI=1S/C24H20ClN3S/c1-14-23(18-8-4-6-10-20(18)26-14)24(17-7-3-5-9-19(17)25)28-16-11-12-22-21(13-16)27-15(2)29-22/h3-13,24,26,28H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.58E+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))
BDBM50446355
PNG
(CHEMBL3109618)
Show SMILES Cc1nc2cc(NC(c3c(C)[nH]c4ccccc34)c3ccccc3Cl)ccc2s1
Show InChI InChI=1S/C24H20ClN3S/c1-14-23(18-8-4-6-10-20(18)26-14)24(17-7-3-5-9-19(17)25)28-16-11-12-22-21(13-16)27-15(2)29-22/h3-13,24,26,28H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.50E+4n/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