BDBM50397592 CHEMBL2171514

SMILES: COc1cc(ccc1O)-c1ccc2nc(NC(=O)C3CCCCC3)nn2c1

InChI Key: InChIKey=KFVXTFMKEHNJFY-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50397592   

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
Cdc2-related kinase (Leishmania major)	BDBM50397592 (CHEMBL2171514) Show SMILES COc1cc(ccc1O)-c1ccc2nc(NC(=O)C3CCCCC3)nn2c1 Show InChI InChI=1S/C20H22N4O3/c1-27-17-11-14(7-9-16(17)25)15-8-10-18-21-20(23-24(18)12-15)22-19(26)13-5-3-2-4-6-13/h7-13,25H,2-6H2,1H3,(H,22,23,26)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Montclair State University Curated by ChEMBL					Assay Description Inhibition of Leishmania major CRK3 expressed in Escherichia coli BL21 (DE3) using 5FAM-GGGRSPGRRRRK-OH as substrate after 60 mins by IMAP assay				Bioorg Med Chem Lett 22: 6788-93 (2012) Article DOI: 10.1016/j.bmcl.2012.09.044 BindingDB Entry DOI: 10.7270/Q26H4JJZ
					More data for this Ligand-Target Pair