BDBM36523 DW12

SMILES: Oc1ccc2n3[Ru](C#N)[n+]4cccc5c6C(=O)NC(=O)c6c(c2c1)c3c45

InChI Key: InChIKey=LNXMLVYPZDBDTF-UHFFFAOYSA-M

Data: 2 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 2 hits for monomerid = 36523   

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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM36523 (DW12) Show SMILES Oc1ccc2n3[Ru](C#N)[n+]4cccc5c6C(=O)NC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C17H10N3O3.CO.Ru/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10;1-2;/h1-7H,(H3,18,19,20,21,22,23);;/q;;+2/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.5	37
University of Pennsylvania					Assay Description Fluorescence polarization-based kinase in vitro assay using human PI3K alpha purchased from Echelon Biosciences and p110 alpha/p85 alpha from Upstate...				ACS Chem Biol 3: 305-16 (2008) Article DOI: 10.1021/cb800039y BindingDB Entry DOI: 10.7270/Q26D5RB3
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM36523 (DW12) Show SMILES Oc1ccc2n3[Ru](C#N)[n+]4cccc5c6C(=O)NC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C17H10N3O3.CO.Ru/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10;1-2;/h1-7H,(H3,18,19,20,21,22,23);;/q;;+2/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	7.5	37
University of Pennsylvania					Assay Description Fluorescence polarization-based kinase in vitro assay using human PI3K alpha purchased from Echelon Biosciences and p110 alpha/p85 alpha from Upstate...				ACS Chem Biol 3: 305-16 (2008) Article DOI: 10.1021/cb800039y BindingDB Entry DOI: 10.7270/Q26D5RB3
					More data for this Ligand-Target Pair