BDBM59141 Hymenialdisine, 28o

SMILES: Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccncc3)c2c1

InChI Key: InChIKey=ZNNLDTASWRREPM-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 = 59141   

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))	BDBM59141 (Hymenialdisine, 28o) Show SMILES Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccncc3)c2c1 |w:14.15| Show InChI InChI=1S/C17H14ClN5O/c18-10-1-2-13-12(9-10)15-14(5-8-20-17(24)16(15)21-13)23-22-11-3-6-19-7-4-11/h1-4,6-7,9,21H,5,8H2,(H,19,22)(H,20,24)	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	4.61E+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))	BDBM59141 (Hymenialdisine, 28o) Show SMILES Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccncc3)c2c1 |w:14.15| Show InChI InChI=1S/C17H14ClN5O/c18-10-1-2-13-12(9-10)15-14(5-8-20-17(24)16(15)21-13)23-22-11-3-6-19-7-4-11/h1-4,6-7,9,21H,5,8H2,(H,19,22)(H,20,24)	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	433	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