null

SMILES: CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCC2)c(N)c1C(N)=O

InChI Key: InChIKey=ONQFGFIAOHMNST-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50148652   

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)	BDBM50148652 (CHEMBL3770802 | US9518026, Example 57 | US9956214,...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCC2)c(N)c1C(N)=O Show InChI InChI=1S/C21H25N5O2/c1-2-28-17-11-9-13-12-14(8-10-16(13)24-17)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.5	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 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50148652 (CHEMBL3770802 | US9518026, Example 57 | US9956214,...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCC2)c(N)c1C(N)=O Show InChI InChI=1S/C21H25N5O2/c1-2-28-17-11-9-13-12-14(8-10-16(13)24-17)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 SRC using Ac-EIYGEFKKK as substrate after 90 mins by luciferase reporter assay				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
cGMP-dependent protein kinase (Plasmodium falciparum)	BDBM50148652 (CHEMBL3770802 | US9518026, Example 57 | US9956214,...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCC2)c(N)c1C(N)=O Show InChI InChI=1S/C21H25N5O2/c1-2-28-17-11-9-13-12-14(8-10-16(13)24-17)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum PKG assessed as decrease in depletion of ATP by Kinase glo luciferase assay				Bioorg Med Chem Lett 26: 5487-5491 (2016) Article DOI: 10.1016/j.bmcl.2016.10.014 BindingDB Entry DOI: 10.7270/Q2J968BR
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148652 (CHEMBL3770802 | US9518026, Example 57 | US9956214,...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCC2)c(N)c1C(N)=O Show InChI InChI=1S/C21H25N5O2/c1-2-28-17-11-9-13-12-14(8-10-16(13)24-17)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	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 Syntide 2 as substrate assessed as decrease in depletion of ATP after 90 mins by Kinase glo l...				Bioorg Med Chem Lett 26: 5487-5491 (2016) Article DOI: 10.1016/j.bmcl.2016.10.014 BindingDB Entry DOI: 10.7270/Q2J968BR
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM50148652 (CHEMBL3770802 | US9518026, Example 57 | US9956214,...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCC2)c(N)c1C(N)=O Show InChI InChI=1S/C21H25N5O2/c1-2-28-17-11-9-13-12-14(8-10-16(13)24-17)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	2	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50148652 (CHEMBL3770802 | US9518026, Example 57 | US9956214,...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCC2)c(N)c1C(N)=O Show InChI InChI=1S/C21H25N5O2/c1-2-28-17-11-9-13-12-14(8-10-16(13)24-17)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 26: 5487-5491 (2016) Article DOI: 10.1016/j.bmcl.2016.10.014 BindingDB Entry DOI: 10.7270/Q2J968BR
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148652 (CHEMBL3770802 | US9518026, Example 57 | US9956214,...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCC2)c(N)c1C(N)=O Show InChI InChI=1S/C21H25N5O2/c1-2-28-17-11-9-13-12-14(8-10-16(13)24-17)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	6	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
Uncharacterized protein (Cryptosporidium parvum)	BDBM50148652 (CHEMBL3770802 | US9518026, Example 57 | US9956214,...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCC2)c(N)c1C(N)=O Show InChI InChI=1S/C21H25N5O2/c1-2-28-17-11-9-13-12-14(8-10-16(13)24-17)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	3	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
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148652 (CHEMBL3770802 | US9518026, Example 57 | US9956214,...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCC2)c(N)c1C(N)=O Show InChI InChI=1S/C21H25N5O2/c1-2-28-17-11-9-13-12-14(8-10-16(13)24-17)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	4	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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50148652 (CHEMBL3770802 | US9518026, Example 57 | US9956214,...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCC2)c(N)c1C(N)=O Show InChI InChI=1S/C21H25N5O2/c1-2-28-17-11-9-13-12-14(8-10-16(13)24-17)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 SRC using Ac-EIYGEFKKK as substrate after 90 mins by Kinase glo luciferase assay				Bioorg Med Chem Lett 26: 5487-5491 (2016) Article DOI: 10.1016/j.bmcl.2016.10.014 BindingDB Entry DOI: 10.7270/Q2J968BR
					More data for this Ligand-Target Pair