BDBM50135974 CHEMBL3752788

SMILES: [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCc2ccccc2)C2=CC(=O)CC[C@]12C

InChI Key: InChIKey=XJGKKKIDTXSJFB-FNVGUGSDSA-N

Data: 1 KI

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 = 50135974   

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))	BDBM50135974 (CHEMBL3752788) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCc2ccccc2)C2=CC(=O)CC[C@]12C |r,t:16,27| Show InChI InChI=1S/C27H32O2/c1-26-14-12-20(28)17-24(26)19(9-8-18-6-4-3-5-7-18)16-21-22-10-11-25(29)27(22,2)15-13-23(21)26/h3-7,16-17,21-23H,8-15H2,1-2H3/t21-,22-,23-,26+,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD				Eur J Med Chem 105: 1-38 (2015) BindingDB Entry DOI: 10.7270/Q2W66NMZ
					More data for this Ligand-Target Pair