BDBM50446163 CHEMBL3109002

SMILES: Cn1nc(N)c2ccc(cc12)-c1nn(c(N)c1C(N)=O)C(C)(C)C

InChI Key: InChIKey=AVVDMKDBZHTWBS-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 = 50446163   

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
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii)	BDBM50446163 (CHEMBL3109002) Show SMILES Cn1nc(N)c2ccc(cc12)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C16H21N7O/c1-16(2,3)23-14(18)11(15(19)24)12(20-23)8-5-6-9-10(7-8)22(4)21-13(9)17/h5-7H,18H2,1-4H3,(H2,17,21)(H2,19,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate				ACS Med Chem Lett 5: 40-44 (2014) Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ
					More data for this Ligand-Target Pair