BDBM50534387 CHEMBL4582694

SMILES: CCOc1ccc2cc(ccc2c1)-c1nn(CC2CN(C2)C(C)=O)c2ncnc(N)c12

InChI Key: InChIKey=YEVFGVGSJHZJGK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50534387   

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
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM50534387 (CHEMBL4582694) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CN(C2)C(C)=O)c2ncnc(N)c12 Show InChI InChI=1S/C23H24N6O2/c1-3-31-19-7-6-16-8-18(5-4-17(16)9-19)21-20-22(24)25-13-26-23(20)29(27-21)12-15-10-28(11-15)14(2)30/h4-9,13,15H,3,10-12H2,1-2H3,(H2,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of chicken Src using AcEIYGEFKKK as substrate after 90 mins in presence of ATP by luciferase reporter gene assay				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50534387 (CHEMBL4582694) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CN(C2)C(C)=O)c2ncnc(N)c12 Show InChI InChI=1S/C23H24N6O2/c1-3-31-19-7-6-16-8-18(5-4-17(16)9-19)21-20-22(24)25-13-26-23(20)29(27-21)12-15-10-28(11-15)14(2)30/h4-9,13,15H,3,10-12H2,1-2H3,(H2,24,25,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50534387 (CHEMBL4582694) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CN(C2)C(C)=O)c2ncnc(N)c12 Show InChI InChI=1S/C23H24N6O2/c1-3-31-19-7-6-16-8-18(5-4-17(16)9-19)21-20-22(24)25-13-26-23(20)29(27-21)12-15-10-28(11-15)14(2)30/h4-9,13,15H,3,10-12H2,1-2H3,(H2,24,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760
					More data for this Ligand-Target Pair