BDBM9988 (2R,6S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-6-yl acetate::3-Deoxy C19 Steroid 19::4beta-Acetoxyandrost-5-en-17-one

SMILES: CC(=O)O[C@H]1CCC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C12

InChI Key: InChIKey=WJINZNWBMZDWPK-QAEAJLDISA-N

Data: 1 KI  1 IC50

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 = 9988   

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
Aromatase (Homo sapiens (Human))	BDBM9988 ((2R,6S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0...) Show SMILES CC(=O)O[C@H]1CCC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C12 |r,t:24| Show InChI InChI=1S/C21H30O3/c1-13(22)24-18-5-4-11-20(2)16-10-12-21(3)15(8-9-19(21)23)14(16)6-7-17(18)20/h7,14-16,18H,4-6,8-12H2,1-3H3/t14?,15?,16?,18-,20+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	90	-9.99	1.00E+3	n/a	n/a	n/a	n/a	7.5	37
Tohoku Pharmaceutical University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 44: 4277-83 (2001) Article DOI: 10.1021/jm010282t BindingDB Entry DOI: 10.7270/Q2SB43ZH
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