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BDBM50258077 CHEMBL4087252

SMILES: Cc1ccc(cc1)-c1nc2ccc(C)cn2c1NCc1ccccc1

InChI Key: InChIKey=ASMFJXRILPOWOE-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50258077   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bile acid receptor


(Homo sapiens (Human))
BDBM50258077
PNG
(CHEMBL4087252)
Show SMILES Cc1ccc(cc1)-c1nc2ccc(C)cn2c1NCc1ccccc1
Show InChI InChI=1S/C22H21N3/c1-16-8-11-19(12-9-16)21-22(23-14-18-6-4-3-5-7-18)25-15-17(2)10-13-20(25)24-21/h3-13,15,23H,14H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 130n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay


J Med Chem 60: 7199-7205 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00903
BindingDB Entry DOI: 10.7270/Q2736TBH
More data for this
Ligand-Target Pair