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BDBM50422397 CHEMBL4176263

SMILES: Cc1ccc2nc(ccc2c1)C(=O)c1ccc(F)c(O)c1

InChI Key: InChIKey=ZKEIXMDWPAAXFP-UHFFFAOYSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50422397   
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))
BDBM50422397
PNG
(CHEMBL4176263)
Show SMILES Cc1ccc2nc(ccc2c1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C46H72N4O2/c1-47-31-17-7-5-6-8-18-32-48(2)34-20-10-12-22-36-50(40-44-24-14-16-26-46(44)52-4)38-42-29-27-41(28-30-42)37-49(35-21-11-9-19-33-47)39-43-23-13-15-25-45(43)51-3/h13-16,23-30H,5-12,17-22,31-40H2,1-4H3
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PC sid
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Similars

PDB
Article
PubMed
6n/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)