Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 483.7 BDBM50108812

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))	BDBM50108812 (CHEMBL160184 | Cyclopropanecarboxylic acid cyclohe...) Show SMILES C[C@]12CCC3C(CCC4C[C@@](O)(CN(CC5CCCCC5)C(=O)C5CC5)CC[C@]34C)C1CCC2=O Show InChI InChI=1S/C31H49NO3/c1-29-16-17-31(35,20-32(28(34)22-8-9-22)19-21-6-4-3-5-7-21)18-23(29)10-11-24-25-12-13-27(33)30(25,2)15-14-26(24)29/h21-26,35H,3-20H2,1-2H3/t23?,24?,25?,26?,29-,30-,31+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	85	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 Concentration to inhibit 50% activity of the Type-3 17-beta- hydroxysteroid dehydrogenase				J Med Chem 45: 640-53 (2002) BindingDB Entry DOI: 10.7270/Q2K93881
					More data for this Ligand-Target Pair