Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM10060'   

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
Aromatase (Homo sapiens (Human))	BDBM10060 ((2R,15S)-2-{2-[(2,4-dinitrophenyl)disulfanyl]ethyl...) Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSSc3ccc(cc3N(=O)=O)N(=O)=O)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C26H28N2O6S2/c1-25-10-9-21-19(20(25)5-7-24(25)30)4-2-16-14-18(29)8-11-26(16,21)12-13-35-36-23-6-3-17(27(31)32)15-22(23)28(33)34/h3,6,9,14-15,19-20H,2,4-5,7-8,10-13H2,1H3/t19?,20?,25-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
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