BDBM59109 Hymenialdisine, 27a

SMILES: NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Br)cc3c12

InChI Key: InChIKey=WQQWVDYMAJEXGG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 59109   

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
Cyclin-dependent kinase 5 regulatory subunit 1 (Homo sapiens (Human))	BDBM59109 (Hymenialdisine, 27a) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Br)cc3c12 |w:7.8,t:1| Show InChI InChI=1S/C15H12BrN5O2/c16-6-1-2-9-8(5-6)10-7(11-14(23)21-15(17)20-11)3-4-18-13(22)12(10)19-9/h1-2,5,19H,3-4H2,(H,18,22)(H3,17,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	213	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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM59109 (Hymenialdisine, 27a) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Br)cc3c12 |w:7.8,t:1| Show InChI InChI=1S/C15H12BrN5O2/c16-6-1-2-9-8(5-6)10-7(11-14(23)21-15(17)20-11)3-4-18-13(22)12(10)19-9/h1-2,5,19H,3-4H2,(H,18,22)(H3,17,20,21,23)	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	47	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 1 (Homo sapiens (Human))	BDBM59109 (Hymenialdisine, 27a) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Br)cc3c12 |w:7.8,t:1| Show InChI InChI=1S/C15H12BrN5O2/c16-6-1-2-9-8(5-6)10-7(11-14(23)21-15(17)20-11)3-4-18-13(22)12(10)19-9/h1-2,5,19H,3-4H2,(H,18,22)(H3,17,20,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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