new BindingDB logo
myBDB logout

BDBM50360236 CHEMBL1928172

SMILES: Cc1cc(ccc1O)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1

InChI Key: InChIKey=QDDLZOOWBSJEFI-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50360236   
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))
BDBM50360236
PNG
(CHEMBL1928172)
Show SMILES Cc1cc(ccc1O)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C19H14FNO3/c1-11-9-12(6-8-17(11)22)15-3-2-4-16(21-15)19(24)13-5-7-14(20)18(23)10-13/h2-10,22-23H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
26n/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)
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50360236
PNG
(CHEMBL1928172)
Show SMILES Cc1cc(ccc1O)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C19H14FNO3/c1-11-9-12(6-8-17(11)22)15-3-2-4-16(21-15)19(24)13-5-7-14(20)18(23)10-13/h2-10,22-23H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.24E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic 17beta-HSD1 in cell-free system using [2,4,6,7-3H]E1 as substrate after 10 mins by radioflow detector


Eur J Med Chem 47: 1-17 (2012)


Article DOI: 10.1016/j.ejmech.2011.09.004
BindingDB Entry DOI: 10.7270/Q2QV3MZW
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50360236
PNG
(CHEMBL1928172)
Show SMILES Cc1cc(ccc1O)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C19H14FNO3/c1-11-9-12(6-8-17(11)22)15-3-2-4-16(21-15)19(24)13-5-7-14(20)18(23)10-13/h2-10,22-23H,1H3
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 757n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 17beta-HSD2 in cell-free system using [2,4,6,7-3H]E2 as substrate after 20 mins by radioflow detector


Eur J Med Chem 47: 1-17 (2012)


Article DOI: 10.1016/j.ejmech.2011.09.004
BindingDB Entry DOI: 10.7270/Q2QV3MZW
More data for this
Ligand-Target Pair