BDBM50422416 CHEMBL4171902

SMILES: Oc1cc(ccc1F)C(=O)c1ccc2ccccc2n1

InChI Key: InChIKey=AIHIZDFXEMCYCS-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 = 50422416   

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))	BDBM50422416 (CHEMBL4171902) Show SMILES Oc1cc(ccc1F)C(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C36H60N2O4/c1-39-35-23-13-11-21-33(35)31-37-25-15-5-9-19-29-41-27-17-7-3-4-8-18-28-42-30-20-10-6-16-26-38-32-34-22-12-14-24-36(34)40-2/h11-14,21-24,37-38H,3-10,15-20,25-32H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	12	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)