BDBM50446152 CHEMBL3108914::US9518026, Example 5::US9956214, Compound 5

SMILES: CCOc1ccc2cc(ccc2c1)-c1nn(cc1C(N)=O)C(C)(C)C

InChI Key: InChIKey=MCKFAQNBWBWWAZ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50446152   

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)	BDBM50446152 (CHEMBL3108914 | US9518026, Example 5 | US9956214, ...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(cc1C(N)=O)C(C)(C)C Show InChI InChI=1S/C20H23N3O2/c1-5-25-16-9-8-13-10-15(7-6-14(13)11-16)18-17(19(21)24)12-23(22-18)20(2,3)4/h6-12H,5H2,1-4H3,(H2,21,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	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
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii)	BDBM50446152 (CHEMBL3108914 | US9518026, Example 5 | US9956214, ...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(cc1C(N)=O)C(C)(C)C Show InChI InChI=1S/C20H23N3O2/c1-5-25-16-9-8-13-10-15(7-6-14(13)11-16)18-17(19(21)24)12-23(22-18)20(2,3)4/h6-12H,5H2,1-4H3,(H2,21,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center For Commercialization US Patent					Assay Description Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...				US Patent US9518026 (2016) BindingDB Entry DOI: 10.7270/Q2BV7JN4
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (CDPK1) (Cryptosporidium parvum)	BDBM50446152 (CHEMBL3108914 | US9518026, Example 5 | US9956214, ...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(cc1C(N)=O)C(C)(C)C Show InChI InChI=1S/C20H23N3O2/c1-5-25-16-9-8-13-10-15(7-6-14(13)11-16)18-17(19(21)24)12-23(22-18)20(2,3)4/h6-12H,5H2,1-4H3,(H2,21,24)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd.					Assay Description Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...				Bioorg Med Chem Lett 19: 1199-205 (2009) BindingDB Entry DOI: 10.7270/Q23J3G91
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii)	BDBM50446152 (CHEMBL3108914 | US9518026, Example 5 | US9956214, ...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(cc1C(N)=O)C(C)(C)C Show InChI InChI=1S/C20H23N3O2/c1-5-25-16-9-8-13-10-15(7-6-14(13)11-16)18-17(19(21)24)12-23(22-18)20(2,3)4/h6-12H,5H2,1-4H3,(H2,21,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd.					Assay Description Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...				Bioorg Med Chem Lett 19: 1199-205 (2009) BindingDB Entry DOI: 10.7270/Q23J3G91
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase (CDPK1) (Cryptosporidium parvum)	BDBM50446152 (CHEMBL3108914 | US9518026, Example 5 | US9956214, ...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(cc1C(N)=O)C(C)(C)C Show InChI InChI=1S/C20H23N3O2/c1-5-25-16-9-8-13-10-15(7-6-14(13)11-16)18-17(19(21)24)12-23(22-18)20(2,3)4/h6-12H,5H2,1-4H3,(H2,21,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center For Commercialization US Patent					Assay Description Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...				US Patent US9518026 (2016) BindingDB Entry DOI: 10.7270/Q2BV7JN4
					More data for this Ligand-Target Pair