BDBM50345734 1-isopropyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine::CHEMBL1242660::US10544104, Compound 7l::US9765037, Compound 7l

SMILES: COc1cc(cc(OC)c1OC)-c1nn(C(C)C)c2ncnc(N)c12

InChI Key: InChIKey=LCQAIZAFSOZWRC-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 = 50345734   

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)	BDBM50345734 (1-isopropyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazolo...) Show SMILES COc1cc(cc(OC)c1OC)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C17H21N5O3/c1-9(2)22-17-13(16(18)19-8-20-17)14(21-22)10-6-11(23-3)15(25-5)12(7-10)24-4/h6-9H,1-5H3,(H2,18,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii)	BDBM50345734 (1-isopropyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazolo...) Show SMILES COc1cc(cc(OC)c1OC)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C17H21N5O3/c1-9(2)22-17-13(16(18)19-8-20-17)14(21-22)10-6-11(23-3)15(25-5)12(7-10)24-4/h6-9H,1-5H3,(H2,18,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1, putative (Cryptosporidium parvum (strain Iowa II))	BDBM50345734 (1-isopropyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazolo...) Show SMILES COc1cc(cc(OC)c1OC)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C17H21N5O3/c1-9(2)22-17-13(16(18)19-8-20-17)14(21-22)10-6-11(23-3)15(25-5)12(7-10)24-4/h6-9H,1-5H3,(H2,18,19,20)	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR CO 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 US10544104 (2020) BindingDB Entry DOI: 10.7270/Q2D79DSF
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345734 (1-isopropyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazolo...) Show SMILES COc1cc(cc(OC)c1OC)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C17H21N5O3/c1-9(2)22-17-13(16(18)19-8-20-17)14(21-22)10-6-11(23-3)15(25-5)12(7-10)24-4/h6-9H,1-5H3,(H2,18,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR CO 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 US10544104 (2020) BindingDB Entry DOI: 10.7270/Q2D79DSF
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (CDPK1) (Cryptosporidium parvum)	BDBM50345734 (1-isopropyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazolo...) Show SMILES COc1cc(cc(OC)c1OC)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C17H21N5O3/c1-9(2)22-17-13(16(18)19-8-20-17)14(21-22)10-6-11(23-3)15(25-5)12(7-10)24-4/h6-9H,1-5H3,(H2,18,19,20)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair