BDBM50422426 CHEMBL4169325

SMILES: CN(c1ccc(F)c(O)c1)c1cccc(n1)-c1cccc(O)c1F

InChI Key: InChIKey=UAIPDERXKMZREY-WBVITSLISA-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 = 50422426   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50422426 (CHEMBL4169325) Show SMILES CN(c1ccc(F)c(O)c1)c1cccc(n1)-c1cccc(O)c1F Show InChI InChI=1S/C48H84N6O4/c1-3-25-47(56)54-45(40-42-28-30-44(55)31-29-42)48(57)53-39-24-38-51-36-22-13-12-20-34-49-32-18-10-8-6-4-5-7-9-11-19-33-50-35-21-14-15-23-37-52-41-43-26-16-17-27-46(43)58-2/h16-17,26-31,45,49-52,55H,3-15,18-25,32-41H2,1-2H3,(H,53,57)(H,54,56)/t45-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)