BDBM59147 Hymenialdisine, 28x

SMILES: COc1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)cn1

InChI Key: InChIKey=JIUACLCVFDPTEW-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 = 59147   

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))	BDBM59147 (Hymenialdisine, 28x) Show SMILES COc1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)cn1 |w:7.6| Show InChI InChI=1S/C18H16FN5O2/c1-26-15-5-3-11(9-21-15)23-24-14-6-7-20-18(25)17-16(14)12-8-10(19)2-4-13(12)22-17/h2-5,8-9,22-23H,6-7H2,1H3,(H,20,25)	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	9.59E+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))	BDBM59147 (Hymenialdisine, 28x) Show SMILES COc1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)cn1 |w:7.6| Show InChI InChI=1S/C18H16FN5O2/c1-26-15-5-3-11(9-21-15)23-24-14-6-7-20-18(25)17-16(14)12-8-10(19)2-4-13(12)22-17/h2-5,8-9,22-23H,6-7H2,1H3,(H,20,25)	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	2.93E+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