BDBM416538 US10307425, Example 4::US10632122, Example 4

SMILES: CC1(C)OB(OC1(C)C)c1ccc2cc(OC3CC3)ccc2c1

InChI Key: InChIKey=XHABIIMDSGQRLE-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 = 416538   

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))	BDBM416538 (US10307425, Example 4 | US10632122, Example 4) Show SMILES CC1(C)OB(OC1(C)C)c1ccc2cc(OC3CC3)ccc2c1 Show InChI InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)15-7-5-14-12-17(21-16-9-10-16)8-6-13(14)11-15/h5-8,11-12,16H,9-10H2,1-4H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	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)	BDBM416538 (US10307425, Example 4 | US10632122, Example 4) Show SMILES CC1(C)OB(OC1(C)C)c1ccc2cc(OC3CC3)ccc2c1 Show InChI InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)15-7-5-14-12-17(21-16-9-10-16)8-6-13(14)11-15/h5-8,11-12,16H,9-10H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	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)	BDBM416538 (US10307425, Example 4 | US10632122, Example 4) Show SMILES CC1(C)OB(OC1(C)C)c1ccc2cc(OC3CC3)ccc2c1 Show InChI InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)15-7-5-14-12-17(21-16-9-10-16)8-6-13(14)11-15/h5-8,11-12,16H,9-10H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	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
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM416538 (US10307425, Example 4 | US10632122, Example 4) Show SMILES CC1(C)OB(OC1(C)C)c1ccc2cc(OC3CC3)ccc2c1 Show InChI InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)15-7-5-14-12-17(21-16-9-10-16)8-6-13(14)11-15/h5-8,11-12,16H,9-10H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM416538 (US10307425, Example 4 | US10632122, Example 4) Show SMILES CC1(C)OB(OC1(C)C)c1ccc2cc(OC3CC3)ccc2c1 Show InChI InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)15-7-5-14-12-17(21-16-9-10-16)8-6-13(14)11-15/h5-8,11-12,16H,9-10H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	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