BDBM50446153 CHEMBL3108984::US9518026, Example 11::US9956214, Compound 11

SMILES: COc1ccc2cc(ccc2c1)-c1n[nH]c(N)c1C(N)=O

InChI Key: InChIKey=GSEFRQXISXMBJX-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 = 50446153   

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)	BDBM50446153 (CHEMBL3108984 | US9518026, Example 11 | US9956214,...) Show SMILES COc1ccc2cc(ccc2c1)-c1n[nH]c(N)c1C(N)=O Show InChI InChI=1S/C15H14N4O2/c1-21-11-5-4-8-6-10(3-2-9(8)7-11)13-12(15(17)20)14(16)19-18-13/h2-7H,1H3,(H2,17,20)(H3,16,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	81	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)	BDBM50446153 (CHEMBL3108984 | US9518026, Example 11 | US9956214,...) Show SMILES COc1ccc2cc(ccc2c1)-c1n[nH]c(N)c1C(N)=O Show InChI InChI=1S/C15H14N4O2/c1-21-11-5-4-8-6-10(3-2-9(8)7-11)13-12(15(17)20)14(16)19-18-13/h2-7H,1H3,(H2,17,20)(H3,16,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	81	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)	BDBM50446153 (CHEMBL3108984 | US9518026, Example 11 | US9956214,...) Show SMILES COc1ccc2cc(ccc2c1)-c1n[nH]c(N)c1C(N)=O Show InChI InChI=1S/C15H14N4O2/c1-21-11-5-4-8-6-10(3-2-9(8)7-11)13-12(15(17)20)14(16)19-18-13/h2-7H,1H3,(H2,17,20)(H3,16,18,19)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	48	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)	BDBM50446153 (CHEMBL3108984 | US9518026, Example 11 | US9956214,...) Show SMILES COc1ccc2cc(ccc2c1)-c1n[nH]c(N)c1C(N)=O Show InChI InChI=1S/C15H14N4O2/c1-21-11-5-4-8-6-10(3-2-9(8)7-11)13-12(15(17)20)14(16)19-18-13/h2-7H,1H3,(H2,17,20)(H3,16,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	81	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)	BDBM50446153 (CHEMBL3108984 | US9518026, Example 11 | US9956214,...) Show SMILES COc1ccc2cc(ccc2c1)-c1n[nH]c(N)c1C(N)=O Show InChI InChI=1S/C15H14N4O2/c1-21-11-5-4-8-6-10(3-2-9(8)7-11)13-12(15(17)20)14(16)19-18-13/h2-7H,1H3,(H2,17,20)(H3,16,18,19)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	48	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