BDBM50250000 CHEMBL4098707

SMILES: Nc1ncnc2n(CC3(CC3)C(F)(F)F)nc(Oc3cccc(Cl)c3)c12

InChI Key: InChIKey=QUACYGKHEFHFCO-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 = 50250000   

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)	BDBM50250000 (CHEMBL4098707) Show SMILES Nc1ncnc2n(CC3(CC3)C(F)(F)F)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C16H13ClF3N5O/c17-9-2-1-3-10(6-9)26-14-11-12(21)22-8-23-13(11)25(24-14)7-15(4-5-15)16(18,19)20/h1-3,6,8H,4-5,7H2,(H2,21,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250000 (CHEMBL4098707) Show SMILES Nc1ncnc2n(CC3(CC3)C(F)(F)F)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C16H13ClF3N5O/c17-9-2-1-3-10(6-9)26-14-11-12(21)22-8-23-13(11)25(24-14)7-15(4-5-15)16(18,19)20/h1-3,6,8H,4-5,7H2,(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair