BDBM416553 US10307425, Example 19::US10632122, Example 19

SMILES: CC(C)(CO)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12

InChI Key: InChIKey=PUXIOPSZYWXPAU-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 = 416553   

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
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416553 (US10307425, Example 19 | US10632122, Example 19) Show SMILES CC(C)(CO)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C22H24N6O2/c1-22(2,11-29)10-28-21-18(20(23)24-12-25-21)19(27-28)14-3-7-16-13(9-14)4-8-17(26-16)30-15-5-6-15/h3-4,7-9,12,15,29H,5-6,10-11H2,1-2H3,(H2,23,24,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington US Patent					Assay Description Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...				US Patent US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM416553 (US10307425, Example 19 | US10632122, Example 19) Show SMILES CC(C)(CO)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C22H24N6O2/c1-22(2,11-29)10-28-21-18(20(23)24-12-25-21)19(27-28)14-3-7-16-13(9-14)4-8-17(26-16)30-15-5-6-15/h3-4,7-9,12,15,29H,5-6,10-11H2,1-2H3,(H2,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington US Patent					Assay Description Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...				US Patent US10632122 (2020)
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM416553 (US10307425, Example 19 | US10632122, Example 19) Show SMILES CC(C)(CO)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C22H24N6O2/c1-22(2,11-29)10-28-21-18(20(23)24-12-25-21)19(27-28)14-3-7-16-13(9-14)4-8-17(26-16)30-15-5-6-15/h3-4,7-9,12,15,29H,5-6,10-11H2,1-2H3,(H2,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM416553 (US10307425, Example 19 | US10632122, Example 19) Show SMILES CC(C)(CO)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C22H24N6O2/c1-22(2,11-29)10-28-21-18(20(23)24-12-25-21)19(27-28)14-3-7-16-13(9-14)4-8-17(26-16)30-15-5-6-15/h3-4,7-9,12,15,29H,5-6,10-11H2,1-2H3,(H2,23,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM416553 (US10307425, Example 19 | US10632122, Example 19) Show SMILES CC(C)(CO)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C22H24N6O2/c1-22(2,11-29)10-28-21-18(20(23)24-12-25-21)19(27-28)14-3-7-16-13(9-14)4-8-17(26-16)30-15-5-6-15/h3-4,7-9,12,15,29H,5-6,10-11H2,1-2H3,(H2,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of chicken Src using AcEIYGEFKKK as substrate after 90 mins in presence of ATP by luciferase reporter gene assay				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760
					More data for this Ligand-Target Pair