BDBM50148632 CHEMBL3770409::US9518026, Example 40::US9956214, Compound 1572

SMILES: CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C)c(N)c1C(N)=O

InChI Key: InChIKey=IYNLAGHSNARNHP-UHFFFAOYSA-N

Data: 8 IC50  1 EC50

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 9 hits for monomerid = 50148632   

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)	BDBM50148632 (CHEMBL3770409 | US9518026, Example 40 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C)c(N)c1C(N)=O Show InChI InChI=1S/C18H21N5O2/c1-4-25-13-6-5-11-7-12(9-21-14(11)8-13)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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))	BDBM50148632 (CHEMBL3770409 | US9518026, Example 40 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C)c(N)c1C(N)=O Show InChI InChI=1S/C18H21N5O2/c1-4-25-13-6-5-11-7-12(9-21-14(11)8-13)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+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
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii)	BDBM50148632 (CHEMBL3770409 | US9518026, Example 40 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C)c(N)c1C(N)=O Show InChI InChI=1S/C18H21N5O2/c1-4-25-13-6-5-11-7-12(9-21-14(11)8-13)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50148632 (CHEMBL3770409 | US9518026, Example 40 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C)c(N)c1C(N)=O Show InChI InChI=1S/C18H21N5O2/c1-4-25-13-6-5-11-7-12(9-21-14(11)8-13)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.88E+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
Calcium-dependent protein kinase 1 (CDPK1) (Cryptosporidium parvum)	BDBM50148632 (CHEMBL3770409 | US9518026, Example 40 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C)c(N)c1C(N)=O Show InChI InChI=1S/C18H21N5O2/c1-4-25-13-6-5-11-7-12(9-21-14(11)8-13)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	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
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii)	BDBM50148632 (CHEMBL3770409 | US9518026, Example 40 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C)c(N)c1C(N)=O Show InChI InChI=1S/C18H21N5O2/c1-4-25-13-6-5-11-7-12(9-21-14(11)8-13)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	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 (CDPK1) (Cryptosporidium parvum)	BDBM50148632 (CHEMBL3770409 | US9518026, Example 40 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C)c(N)c1C(N)=O Show InChI InChI=1S/C18H21N5O2/c1-4-25-13-6-5-11-7-12(9-21-14(11)8-13)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	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 (CDPK1) (Toxoplasma gondii)	BDBM50148632 (CHEMBL3770409 | US9518026, Example 40 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C)c(N)c1C(N)=O Show InChI InChI=1S/C18H21N5O2/c1-4-25-13-6-5-11-7-12(9-21-14(11)8-13)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	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))	BDBM50148632 (CHEMBL3770409 | US9518026, Example 40 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C)c(N)c1C(N)=O Show InChI InChI=1S/C18H21N5O2/c1-4-25-13-6-5-11-7-12(9-21-14(11)8-13)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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