BDBM50389715 CHEMBL2070083

SMILES: CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(CC2)C(C)=O)c2ncnc(N)c12

InChI Key: InChIKey=BUNKNNOQAMJXHS-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50389715   

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 (Homo sapiens (Human))	BDBM50389715 (CHEMBL2070083) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(CC2)C(C)=O)c2ncnc(N)c12 Show InChI InChI=1S/C25H28N6O2/c1-3-33-21-7-6-18-12-20(5-4-19(18)13-21)23-22-24(26)27-15-28-25(22)31(29-23)14-17-8-10-30(11-9-17)16(2)32/h4-7,12-13,15,17H,3,8-11,14H2,1-2H3,(H2,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 SRC using Ac-EIYGEFKKK-OH as substrate after 60 mins by phosphorimaging method				J Med Chem 55: 2416-26 (2012) Article DOI: 10.1021/jm201713h BindingDB Entry DOI: 10.7270/Q2P2706V
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50389715 (CHEMBL2070083) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(CC2)C(C)=O)c2ncnc(N)c12 Show InChI InChI=1S/C25H28N6O2/c1-3-33-21-7-6-18-12-20(5-4-19(18)13-21)23-22-24(26)27-15-28-25(22)31(29-23)14-17-8-10-30(11-9-17)16(2)32/h4-7,12-13,15,17H,3,8-11,14H2,1-2H3,(H2,26,27,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM50389715 (CHEMBL2070083) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(CC2)C(C)=O)c2ncnc(N)c12 Show InChI InChI=1S/C25H28N6O2/c1-3-33-21-7-6-18-12-20(5-4-19(18)13-21)23-22-24(26)27-15-28-25(22)31(29-23)14-17-8-10-30(11-9-17)16(2)32/h4-7,12-13,15,17H,3,8-11,14H2,1-2H3,(H2,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389715 (CHEMBL2070083) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(CC2)C(C)=O)c2ncnc(N)c12 Show InChI InChI=1S/C25H28N6O2/c1-3-33-21-7-6-18-12-20(5-4-19(18)13-21)23-22-24(26)27-15-28-25(22)31(29-23)14-17-8-10-30(11-9-17)16(2)32/h4-7,12-13,15,17H,3,8-11,14H2,1-2H3,(H2,26,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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