Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 649.9 BDBM50501056

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))	BDBM50501056 (CHEMBL3797602) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@](O)(CN3C[C@H](C)N(C[C@H]3C)S(=O)(=O)c3cccc4c(cccc34)N(C)C)CC[C@]12C |r| Show InChI InChI=1S/C38H55N3O4S/c1-25-23-41(46(44,45)34-12-8-9-28-29(34)10-7-11-33(28)39(5)6)26(2)22-40(25)24-38(43)20-19-36(3)27(21-38)13-14-30-31-15-16-35(42)37(31,4)18-17-32(30)36/h7-12,25-27,30-32,43H,13-24H2,1-6H3/t25-,26+,27+,30+,31+,32+,36+,37+,38-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	262	n/a	n/a	n/a	n/a	n/a	n/a
CHU de Qu£bec-Research Center Curated by ChEMBL					Assay Description Inhibition of 17betaHSD3 (unknown origin) transfected in human LNCAP cells assessed as conversion of [14C]-4-androstene-3,17-dione into [14C]-testost...				Bioorg Med Chem Lett 26: 2179-83 (2016) Article DOI: 10.1016/j.bmcl.2016.03.069 BindingDB Entry DOI: 10.7270/Q2FT8Q2J
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