Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 499.7 BDBM50108814

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50108814 (CHEMBL158995 | Cyclopropanecarboxylic acid (3-hydr...) Show SMILES CCCCCCCCN(C[C@@]1(O)CC[C@@]2(C)C(CCC3C4CCC(=O)[C@@]4(C)CCC23)C1)C(=O)C1CC1 Show InChI InChI=1S/C32H53NO3/c1-4-5-6-7-8-9-20-33(29(35)23-10-11-23)22-32(36)19-18-30(2)24(21-32)12-13-25-26-14-15-28(34)31(26,3)17-16-27(25)30/h23-27,36H,4-22H2,1-3H3/t24?,25?,26?,27?,30-,31-,32+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire de Qu£bec and Universit£ Laval Curated by ChEMBL					Assay Description The ability to inhibit the Type-3 17-beta- hydroxysteroid dehydrogenase activity in transfected human embryonic kidney (HEK)-293 cells experiment 2				J Med Chem 45: 640-53 (2002) BindingDB Entry DOI: 10.7270/Q2K93881
					More data for this Ligand-Target Pair