BDBM9995 (2S,8R,15S)-8-hydroxy-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::6beta,19-dihydroxyandrost-4-en-17-one::Hydroxylated 3-Deoxy C19 Steroid 37

SMILES: C[C@]12CCC3C(C[C@@H](O)C4=CCCC[C@]34CO)C1CCC2=O

InChI Key: InChIKey=FITTWLFIFVRTBR-QNSFZFNSSA-N

Data: 1 KI  1 IC50

PDB links: 5 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 9995   

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
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM9995 ((2S,8R,15S)-8-hydroxy-2-(hydroxymethyl)-15-methylt...) Show SMILES C[C@]12CCC3C(C[C@@H](O)C4=CCCC[C@]34CO)C1CCC2=O |r,t:9| Show InChI InChI=1S/C19H28O3/c1-18-9-7-14-12(13(18)5-6-17(18)22)10-16(21)15-4-2-3-8-19(14,15)11-20/h4,12-14,16,20-21H,2-3,5-11H2,1H3/t12?,13?,14?,16-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	110	-9.87	940	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
					More data for this Ligand-Target Pair