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SMILES: NC(=O)c1c(N)n(CC2CCCCC2)nc1-c1ccc2ccccc2c1

InChI Key: InChIKey=WZYJYIAEKIIPFR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50446154   

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 (Toxoplasma gondii)	BDBM50446154 (CHEMBL3108989 | US9518026, Example 16 | US9956214,...) Show SMILES NC(=O)c1c(N)n(CC2CCCCC2)nc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C21H24N4O/c22-20-18(21(23)26)19(24-25(20)13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h4-5,8-12,14H,1-3,6-7,13,22H2,(H2,23,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	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 (Toxoplasma gondii)	BDBM50446154 (CHEMBL3108989 | US9518026, Example 16 | US9956214,...) Show SMILES NC(=O)c1c(N)n(CC2CCCCC2)nc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C21H24N4O/c22-20-18(21(23)26)19(24-25(20)13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h4-5,8-12,14H,1-3,6-7,13,22H2,(H2,23,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	59	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 (Cryptosporidium parvum)	BDBM50446154 (CHEMBL3108989 | US9518026, Example 16 | US9956214,...) Show SMILES NC(=O)c1c(N)n(CC2CCCCC2)nc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C21H24N4O/c22-20-18(21(23)26)19(24-25(20)13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h4-5,8-12,14H,1-3,6-7,13,22H2,(H2,23,26)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	150	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 (Toxoplasma gondii)	BDBM50446154 (CHEMBL3108989 | US9518026, Example 16 | US9956214,...) Show SMILES NC(=O)c1c(N)n(CC2CCCCC2)nc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C21H24N4O/c22-20-18(21(23)26)19(24-25(20)13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h4-5,8-12,14H,1-3,6-7,13,22H2,(H2,23,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	59	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
Uncharacterized protein (Cryptosporidium parvum)	BDBM50446154 (CHEMBL3108989 | US9518026, Example 16 | US9956214,...) Show SMILES NC(=O)c1c(N)n(CC2CCCCC2)nc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C21H24N4O/c22-20-18(21(23)26)19(24-25(20)13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h4-5,8-12,14H,1-3,6-7,13,22H2,(H2,23,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	150	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