BDBM50389693 CHEMBL2070059::US10544104, Compound 44::US9765037, Compound 44

SMILES: CC(C)COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12

InChI Key: InChIKey=PHSBLNQTZKZQLY-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50389693   

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))	BDBM50389693 (CHEMBL2070059 | US10544104, Compound 44 | US976503...) Show SMILES CC(C)COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-16(2)14-32-21-6-5-18-11-20(4-3-19(18)12-21)23-22-24(26)28-15-29-25(22)31(30-23)13-17-7-9-27-10-8-17/h3-6,11-12,15-17,27H,7-10,13-14H2,1-2H3,(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)	BDBM50389693 (CHEMBL2070059 | US10544104, Compound 44 | US976503...) Show SMILES CC(C)COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-16(2)14-32-21-6-5-18-11-20(4-3-19(18)12-21)23-22-24(26)28-15-29-25(22)31(30-23)13-17-7-9-27-10-8-17/h3-6,11-12,15-17,27H,7-10,13-14H2,1-2H3,(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)	BDBM50389693 (CHEMBL2070059 | US10544104, Compound 44 | US976503...) Show SMILES CC(C)COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-16(2)14-32-21-6-5-18-11-20(4-3-19(18)12-21)23-22-24(26)28-15-29-25(22)31(30-23)13-17-7-9-27-10-8-17/h3-6,11-12,15-17,27H,7-10,13-14H2,1-2H3,(H2,26,28,29)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description 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))	BDBM50389693 (CHEMBL2070059 | US10544104, Compound 44 | US976503...) Show SMILES CC(C)COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-16(2)14-32-21-6-5-18-11-20(4-3-19(18)12-21)23-22-24(26)28-15-29-25(22)31(30-23)13-17-7-9-27-10-8-17/h3-6,11-12,15-17,27H,7-10,13-14H2,1-2H3,(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))	BDBM50389693 (CHEMBL2070059 | US10544104, Compound 44 | US976503...) Show SMILES CC(C)COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-16(2)14-32-21-6-5-18-11-20(4-3-19(18)12-21)23-22-24(26)28-15-29-25(22)31(30-23)13-17-7-9-27-10-8-17/h3-6,11-12,15-17,27H,7-10,13-14H2,1-2H3,(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	7.34E+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 (Toxoplasma gondii)	BDBM50389693 (CHEMBL2070059 | US10544104, Compound 44 | US976503...) Show SMILES CC(C)COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-16(2)14-32-21-6-5-18-11-20(4-3-19(18)12-21)23-22-24(26)28-15-29-25(22)31(30-23)13-17-7-9-27-10-8-17/h3-6,11-12,15-17,27H,7-10,13-14H2,1-2H3,(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))	BDBM50389693 (CHEMBL2070059 | US10544104, Compound 44 | US976503...) Show SMILES CC(C)COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-16(2)14-32-21-6-5-18-11-20(4-3-19(18)12-21)23-22-24(26)28-15-29-25(22)31(30-23)13-17-7-9-27-10-8-17/h3-6,11-12,15-17,27H,7-10,13-14H2,1-2H3,(H2,26,28,29)	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.70	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/Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50389693 (CHEMBL2070059 | US10544104, Compound 44 | US976503...) Show SMILES CC(C)COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-16(2)14-32-21-6-5-18-11-20(4-3-19(18)12-21)23-22-24(26)28-15-29-25(22)31(30-23)13-17-7-9-27-10-8-17/h3-6,11-12,15-17,27H,7-10,13-14H2,1-2H3,(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))	BDBM50389693 (CHEMBL2070059 | US10544104, Compound 44 | US976503...) Show SMILES CC(C)COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-16(2)14-32-21-6-5-18-11-20(4-3-19(18)12-21)23-22-24(26)28-15-29-25(22)31(30-23)13-17-7-9-27-10-8-17/h3-6,11-12,15-17,27H,7-10,13-14H2,1-2H3,(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	7.34E+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 human tyrosine kinases.				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair