BDBM50422402 CHEMBL4171183

SMILES: Oc1cc(Oc2cccc(n2)-c2cccc(O)c2F)ccc1F

InChI Key: InChIKey=QDTZWUCQANGCAZ-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 = 50422402   

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))	BDBM50422402 (CHEMBL4171183) Show SMILES Oc1cc(Oc2cccc(n2)-c2cccc(O)c2F)ccc1F Show InChI InChI=1S/C48H62N4O2/c1-53-47-17-9-7-15-45(47)37-51-33-13-5-3-11-31-49-35-39-19-23-41(24-20-39)43-27-29-44(30-28-43)42-25-21-40(22-26-42)36-50-32-12-4-6-14-34-52-38-46-16-8-10-18-48(46)54-2/h7-10,15-30,49-52H,3-6,11-14,31-38H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	58	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)