BDBM340926 3-(6-(3-chloro-5-fluorobenzyloxy)naphthalen-2- yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4- amine::US10544104, Compound 52::US9765037, Compound 52

SMILES: CC(C)n1nc(-c2ccc3cc(OCc4cc(F)cc(Cl)c4)ccc3c2)c2c(N)ncnc12

InChI Key: InChIKey=YHMLMIWKVKHAPH-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 340926   

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)	BDBM340926 (3-(6-(3-chloro-5-fluorobenzyloxy)naphthalen-2- yl)...) Show SMILES CC(C)n1nc(-c2ccc3cc(OCc4cc(F)cc(Cl)c4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C25H21ClFN5O/c1-14(2)32-25-22(24(28)29-13-30-25)23(31-32)18-4-3-17-10-21(6-5-16(17)9-18)33-12-15-7-19(26)11-20(27)8-15/h3-11,13-14H,12H2,1-2H3,(H2,28,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	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
Calcium-dependent protein kinase 1 (CDPK1) (Cryptosporidium parvum)	BDBM340926 (3-(6-(3-chloro-5-fluorobenzyloxy)naphthalen-2- yl)...) Show SMILES CC(C)n1nc(-c2ccc3cc(OCc4cc(F)cc(Cl)c4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C25H21ClFN5O/c1-14(2)32-25-22(24(28)29-13-30-25)23(31-32)18-4-3-17-10-21(6-5-16(17)9-18)33-12-15-7-19(26)11-20(27)8-15/h3-11,13-14H,12H2,1-2H3,(H2,28,29,30)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	373	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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM340926 (3-(6-(3-chloro-5-fluorobenzyloxy)naphthalen-2- yl)...) Show SMILES CC(C)n1nc(-c2ccc3cc(OCc4cc(F)cc(Cl)c4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C25H21ClFN5O/c1-14(2)32-25-22(24(28)29-13-30-25)23(31-32)18-4-3-17-10-21(6-5-16(17)9-18)33-12-15-7-19(26)11-20(27)8-15/h3-11,13-14H,12H2,1-2H3,(H2,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.27E+3	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, putative (Cryptosporidium parvum (strain Iowa II))	BDBM340926 (3-(6-(3-chloro-5-fluorobenzyloxy)naphthalen-2- yl)...) Show SMILES CC(C)n1nc(-c2ccc3cc(OCc4cc(F)cc(Cl)c4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C25H21ClFN5O/c1-14(2)32-25-22(24(28)29-13-30-25)23(31-32)18-4-3-17-10-21(6-5-16(17)9-18)33-12-15-7-19(26)11-20(27)8-15/h3-11,13-14H,12H2,1-2H3,(H2,28,29,30)	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	373	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/Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340926 (3-(6-(3-chloro-5-fluorobenzyloxy)naphthalen-2- yl)...) Show SMILES CC(C)n1nc(-c2ccc3cc(OCc4cc(F)cc(Cl)c4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C25H21ClFN5O/c1-14(2)32-25-22(24(28)29-13-30-25)23(31-32)18-4-3-17-10-21(6-5-16(17)9-18)33-12-15-7-19(26)11-20(27)8-15/h3-11,13-14H,12H2,1-2H3,(H2,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	107	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)	BDBM340926 (3-(6-(3-chloro-5-fluorobenzyloxy)naphthalen-2- yl)...) Show SMILES CC(C)n1nc(-c2ccc3cc(OCc4cc(F)cc(Cl)c4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C25H21ClFN5O/c1-14(2)32-25-22(24(28)29-13-30-25)23(31-32)18-4-3-17-10-21(6-5-16(17)9-18)33-12-15-7-19(26)11-20(27)8-15/h3-11,13-14H,12H2,1-2H3,(H2,28,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	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