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BDBM50422416 CHEMBL4171902

SMILES: Oc1cc(ccc1F)C(=O)c1ccc2ccccc2n1

InChI Key: InChIKey=AIHIZDFXEMCYCS-UHFFFAOYSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50422416   
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
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50422416
PNG
(CHEMBL4171902)
Show SMILES Oc1cc(ccc1F)C(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C36H60N2O4/c1-39-35-23-13-11-21-33(35)31-37-25-15-5-9-19-29-41-27-17-7-3-4-8-18-28-42-30-20-10-6-16-26-38-32-34-22-12-14-24-36(34)40-2/h11-14,21-24,37-38H,3-10,15-20,25-32H2,1-2H3
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PC sid
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Similars

PDB
Article
PubMed
12n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NA...


Eur J Med Chem 155: 61-76 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.029
BindingDB Entry DOI: 10.7270/Q23F4S76
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)