BDBM59145 Hymenialdisine, 28af

SMILES: Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(cn3)C(F)(F)F)c2c1

InChI Key: InChIKey=MTFQBDGYWFAHGH-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 = 59145   

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))	BDBM59145 (Hymenialdisine, 28af) Show SMILES Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(cn3)C(F)(F)F)c2c1 |w:14.15| Show InChI InChI=1S/C18H13F4N5O/c19-10-2-3-12-11(7-10)15-13(5-6-23-17(28)16(15)25-12)26-27-14-4-1-9(8-24-14)18(20,21)22/h1-4,7-8,25H,5-6H2,(H,23,28)(H,24,27)	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	2.24E+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))	BDBM59145 (Hymenialdisine, 28af) Show SMILES Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(cn3)C(F)(F)F)c2c1 |w:14.15| Show InChI InChI=1S/C18H13F4N5O/c19-10-2-3-12-11(7-10)15-13(5-6-23-17(28)16(15)25-12)26-27-14-4-1-9(8-24-14)18(20,21)22/h1-4,7-8,25H,5-6H2,(H,23,28)(H,24,27)	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	437	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