BDBM9981 2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::3-deoxy steroid 1::CHEMBL71715

SMILES: CC12CCC3C(CCC4=CCCCC34C)C1CCC2=O

InChI Key: InChIKey=MNOAOFLIFDRILH-UHFFFAOYSA-N

Data: 1 KI  1 IC50

PDB links: 3 PDB IDs contain this monomer as substructures. 3 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 = 9981   

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))	BDBM9981 (2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]he...) Show SMILES CC12CCC3C(CCC4=CCCCC34C)C1CCC2=O |t:8| Show InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h5,14-16H,3-4,6-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy					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 39: 2245-52 (1996) Article DOI: 10.1021/jm960047o BindingDB Entry DOI: 10.7270/Q2X34VPV
					More data for this Ligand-Target Pair