BDBM50389746 CHEMBL2070061::US10544104, Compound 35::US9765037, Compound 35

SMILES: CCCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12

InChI Key: InChIKey=XHRZOMIMLIVCLD-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50389746   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50389746 (CHEMBL2070061 | US10544104, Compound 35 | US976503...) Show SMILES CCCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-2-3-12-32-21-7-6-18-13-20(5-4-19(18)14-21)23-22-24(26)28-16-29-25(22)31(30-23)15-17-8-10-27-11-9-17/h4-7,13-14,16-17,27H,2-3,8-12,15H2,1H3,(H2,26,28,29)	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-OH as substrate after 60 mins by phosphorimaging method				J Med Chem 55: 2416-26 (2012) Article DOI: 10.1021/jm201713h BindingDB Entry DOI: 10.7270/Q2P2706V
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii)	BDBM50389746 (CHEMBL2070061 | US10544104, Compound 35 | US976503...) Show SMILES CCCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-2-3-12-32-21-7-6-18-13-20(5-4-19(18)14-21)23-22-24(26)28-16-29-25(22)31(30-23)15-17-8-10-27-11-9-17/h4-7,13-14,16-17,27H,2-3,8-12,15H2,1H3,(H2,26,28,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.70	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)	BDBM50389746 (CHEMBL2070061 | US10544104, Compound 35 | US976503...) Show SMILES CCCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-2-3-12-32-21-7-6-18-13-20(5-4-19(18)14-21)23-22-24(26)28-16-29-25(22)31(30-23)15-17-8-10-27-11-9-17/h4-7,13-14,16-17,27H,2-3,8-12,15H2,1H3,(H2,26,28,29)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.40	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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50389746 (CHEMBL2070061 | US10544104, Compound 35 | US976503...) Show SMILES CCCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-2-3-12-32-21-7-6-18-13-20(5-4-19(18)14-21)23-22-24(26)28-16-29-25(22)31(30-23)15-17-8-10-27-11-9-17/h4-7,13-14,16-17,27H,2-3,8-12,15H2,1H3,(H2,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	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 human tyrosine kinases.				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50389746 (CHEMBL2070061 | US10544104, Compound 35 | US976503...) Show SMILES CCCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-2-3-12-32-21-7-6-18-13-20(5-4-19(18)14-21)23-22-24(26)28-16-29-25(22)31(30-23)15-17-8-10-27-11-9-17/h4-7,13-14,16-17,27H,2-3,8-12,15H2,1H3,(H2,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	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 human tyrosine kinases.				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM50389746 (CHEMBL2070061 | US10544104, Compound 35 | US976503...) Show SMILES CCCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-2-3-12-32-21-7-6-18-13-20(5-4-19(18)14-21)23-22-24(26)28-16-29-25(22)31(30-23)15-17-8-10-27-11-9-17/h4-7,13-14,16-17,27H,2-3,8-12,15H2,1H3,(H2,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	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)	BDBM50389746 (CHEMBL2070061 | US10544104, Compound 35 | US976503...) Show SMILES CCCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-2-3-12-32-21-7-6-18-13-20(5-4-19(18)14-21)23-22-24(26)28-16-29-25(22)31(30-23)15-17-8-10-27-11-9-17/h4-7,13-14,16-17,27H,2-3,8-12,15H2,1H3,(H2,26,28,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.70	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))	BDBM50389746 (CHEMBL2070061 | US10544104, Compound 35 | US976503...) Show SMILES CCCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-2-3-12-32-21-7-6-18-13-20(5-4-19(18)14-21)23-22-24(26)28-16-29-25(22)31(30-23)15-17-8-10-27-11-9-17/h4-7,13-14,16-17,27H,2-3,8-12,15H2,1H3,(H2,26,28,29)	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.40	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))	BDBM50389746 (CHEMBL2070061 | US10544104, Compound 35 | US976503...) Show SMILES CCCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-2-3-12-32-21-7-6-18-13-20(5-4-19(18)14-21)23-22-24(26)28-16-29-25(22)31(30-23)15-17-8-10-27-11-9-17/h4-7,13-14,16-17,27H,2-3,8-12,15H2,1H3,(H2,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50389746 (CHEMBL2070061 | US10544104, Compound 35 | US976503...) Show SMILES CCCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-2-3-12-32-21-7-6-18-13-20(5-4-19(18)14-21)23-22-24(26)28-16-29-25(22)31(30-23)15-17-8-10-27-11-9-17/h4-7,13-14,16-17,27H,2-3,8-12,15H2,1H3,(H2,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	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
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM50389746 (CHEMBL2070061 | US10544104, Compound 35 | US976503...) Show SMILES CCCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-2-3-12-32-21-7-6-18-13-20(5-4-19(18)14-21)23-22-24(26)28-16-29-25(22)31(30-23)15-17-8-10-27-11-9-17/h4-7,13-14,16-17,27H,2-3,8-12,15H2,1H3,(H2,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	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 human tyrosine kinases.				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair