BDBM59136 Hymenialdisine, 28ah

SMILES: Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(cn3)N(=O)=O)c2c1

InChI Key: InChIKey=TXWNHARHLAMUFF-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 = 59136   

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))	BDBM59136 (Hymenialdisine, 28ah) Show SMILES Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(cn3)N(=O)=O)c2c1 |w:14.15| Show InChI InChI=1S/C17H13ClN6O3/c18-9-1-3-12-11(7-9)15-13(5-6-19-17(25)16(15)21-12)22-23-14-4-2-10(8-20-14)24(26)27/h1-4,7-8,21H,5-6H2,(H,19,25)(H,20,23)	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	984	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))	BDBM59136 (Hymenialdisine, 28ah) Show SMILES Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(cn3)N(=O)=O)c2c1 |w:14.15| Show InChI InChI=1S/C17H13ClN6O3/c18-9-1-3-12-11(7-9)15-13(5-6-19-17(25)16(15)21-12)22-23-14-4-2-10(8-20-14)24(26)27/h1-4,7-8,21H,5-6H2,(H,19,25)(H,20,23)	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	118	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