Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 324.4 BDBM142633

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

Found 2 hits 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
Progesterone receptor (Homo sapiens (Human))	BDBM142633 (US8937058, 1) Show SMILES C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:6,26,t:8| Show InChI InChI=1S/C21H24O3/c1-20-9-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(20)7-10-21(20)11-8-19(23)24-21/h2,4,8,11-12,15-18H,3,5-7,9-10H2,1H3/t15-,16+,17+,18-,20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...				US Patent US8937058 (2015) BindingDB Entry DOI: 10.7270/Q2N29VNG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM142633 (US8937058, 1) Show SMILES C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:6,26,t:8| Show InChI InChI=1S/C21H24O3/c1-20-9-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(20)7-10-21(20)11-8-19(23)24-21/h2,4,8,11-12,15-18H,3,5-7,9-10H2,1H3/t15-,16+,17+,18-,20-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...				US Patent US8937058 (2015) BindingDB Entry DOI: 10.7270/Q2N29VNG
					More data for this Ligand-Target Pair