BDBM59121 Hymenialdisine, 28d

SMILES: Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1ccc(cc1)N(=O)=O

InChI Key: InChIKey=MEYLOAKJICLTMP-UHFFFAOYSA-N

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 = 59121   

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))	BDBM59121 (Hymenialdisine, 28d) Show SMILES Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1ccc(cc1)N(=O)=O |w:13.15| Show InChI InChI=1S/C14H11Br2N5O3/c15-11-10-9(5-6-17-14(22)12(10)18-13(11)16)20-19-7-1-3-8(4-2-7)21(23)24/h1-4,18-19H,5-6H2,(H,17,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a	7.2	n/a
Genomics Institute of the Novartis Research Foundation					Assay Description In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.				Chem Biol 11: 247-59 (2004) Article DOI: 10.1016/j.chembiol.2004.01.015 BindingDB Entry DOI: 10.7270/Q2FN14M9
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1 (Homo sapiens (Human))	BDBM59121 (Hymenialdisine, 28d) Show SMILES Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1ccc(cc1)N(=O)=O |w:13.15| Show InChI InChI=1S/C14H11Br2N5O3/c15-11-10-9(5-6-17-14(22)12(10)18-13(11)16)20-19-7-1-3-8(4-2-7)21(23)24/h1-4,18-19H,5-6H2,(H,17,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	7.2	n/a
Genomics Institute of the Novartis Research Foundation					Assay Description In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.				Chem Biol 11: 247-59 (2004) Article DOI: 10.1016/j.chembiol.2004.01.015 BindingDB Entry DOI: 10.7270/Q2FN14M9
					More data for this Ligand-Target Pair