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BDBM50197832 CHEMBL3913249

SMILES: Oc1cccc(c1F)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1O

InChI Key: InChIKey=ACRZIJAMHSRKJJ-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 = 50197832   
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
17-beta-hydroxysteroid dehydrogenase 14


(Homo sapiens (Human))
BDBM50197832
PNG
(CHEMBL3913249)
Show SMILES Oc1cccc(c1F)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1O
Show InChI InChI=1S/C18H11F2NO4/c19-11-8-7-10(17(24)18(11)25)16(23)13-5-2-4-12(21-13)9-3-1-6-14(22)15(9)20/h1-8,22,24-25H
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
11n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...


J Med Chem 59: 10719-10737 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01436
BindingDB Entry DOI: 10.7270/Q2KH0Q9S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)