BDBM59128 Hymenialdisine, 28s

SMILES: Clc1[nH]c2c(c1Cl)C(CCNC2=O)=NNc1ccccn1

InChI Key: InChIKey=AWJACNYSMBTZTH-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 = 59128   

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))	BDBM59128 (Hymenialdisine, 28s) Show SMILES Clc1[nH]c2c(c1Cl)C(CCNC2=O)=NNc1ccccn1 |w:13.15| Show InChI InChI=1S/C13H11Cl2N5O/c14-10-9-7(19-20-8-3-1-2-5-16-8)4-6-17-13(21)11(9)18-12(10)15/h1-3,5,18H,4,6H2,(H,16,20)(H,17,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.99E+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
Cyclin-dependent kinase 5 regulatory subunit 1 (Homo sapiens (Human))	BDBM59128 (Hymenialdisine, 28s) Show SMILES Clc1[nH]c2c(c1Cl)C(CCNC2=O)=NNc1ccccn1 |w:13.15| Show InChI InChI=1S/C13H11Cl2N5O/c14-10-9-7(19-20-8-3-1-2-5-16-8)4-6-17-13(21)11(9)18-12(10)15/h1-3,5,18H,4,6H2,(H,16,20)(H,17,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.91E+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