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SMILES: CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCNCC2)c2ncnc(N)c12

InChI Key: InChIKey=ZOVKFJPIFCBGJO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50389684   

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))	BDBM50389684 (CHEMBL2070051 | US10307425, Example 119 | US106321...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C22H25N7O/c1-2-30-18-6-4-15-11-16(3-5-17(15)27-18)20-19-21(23)25-13-26-22(19)29(28-20)12-14-7-9-24-10-8-14/h3-6,11,13-14,24H,2,7-10,12H2,1H3,(H2,23,25,26)	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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50389684 (CHEMBL2070051 | US10307425, Example 119 | US106321...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C22H25N7O/c1-2-30-18-6-4-15-11-16(3-5-17(15)27-18)20-19-21(23)25-13-26-22(19)29(28-20)12-14-7-9-24-10-8-14/h3-6,11,13-14,24H,2,7-10,12H2,1H3,(H2,23,25,26)	PDB MMDB Reactome pathway 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 ABL using EAIYAAPFAKKK-OH as substrate 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
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50389684 (CHEMBL2070051 | US10307425, Example 119 | US106321...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C22H25N7O/c1-2-30-18-6-4-15-11-16(3-5-17(15)27-18)20-19-21(23)25-13-26-22(19)29(28-20)12-14-7-9-24-10-8-14/h3-6,11,13-14,24H,2,7-10,12H2,1H3,(H2,23,25,26)	PDB UniProtKB/SwissProt 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 LCK using Ac-EIYGEFKKK-OH as substrate after 60 mins				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
Ephrin type-A receptor 3 (Homo sapiens (Human))	BDBM50389684 (CHEMBL2070051 | US10307425, Example 119 | US106321...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C22H25N7O/c1-2-30-18-6-4-15-11-16(3-5-17(15)27-18)20-19-21(23)25-13-26-22(19)29(28-20)12-14-7-9-24-10-8-14/h3-6,11,13-14,24H,2,7-10,12H2,1H3,(H2,23,25,26)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD 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 EPHA3 using myelin basic protein as substrate after 120 mins				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 (Toxoplasma gondii)	BDBM50389684 (CHEMBL2070051 | US10307425, Example 119 | US106321...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C22H25N7O/c1-2-30-18-6-4-15-11-16(3-5-17(15)27-18)20-19-21(23)25-13-26-22(19)29(28-20)12-14-7-9-24-10-8-14/h3-6,11,13-14,24H,2,7-10,12H2,1H3,(H2,23,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington US Patent					Assay Description Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...				US Patent US10632122 (2020) BindingDB Entry DOI: 10.7270/Q2M048G9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50389684 (CHEMBL2070051 | US10307425, Example 119 | US106321...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C22H25N7O/c1-2-30-18-6-4-15-11-16(3-5-17(15)27-18)20-19-21(23)25-13-26-22(19)29(28-20)12-14-7-9-24-10-8-14/h3-6,11,13-14,24H,2,7-10,12H2,1H3,(H2,23,25,26)	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 EGFR using poly glu-Tyr as substrate after 30 mins				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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50389684 (CHEMBL2070051 | US10307425, Example 119 | US106321...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C22H25N7O/c1-2-30-18-6-4-15-11-16(3-5-17(15)27-18)20-19-21(23)25-13-26-22(19)29(28-20)12-14-7-9-24-10-8-14/h3-6,11,13-14,24H,2,7-10,12H2,1H3,(H2,23,25,26)	PDB MMDB NCI pathway Reactome pathway 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 p38alpha using myelin basic protein as substrate after 180 mins				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
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM50389684 (CHEMBL2070051 | US10307425, Example 119 | US106321...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C22H25N7O/c1-2-30-18-6-4-15-11-16(3-5-17(15)27-18)20-19-21(23)25-13-26-22(19)29(28-20)12-14-7-9-24-10-8-14/h3-6,11,13-14,24H,2,7-10,12H2,1H3,(H2,23,25,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington US Patent					Assay Description Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...				US Patent US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase CSK (Homo sapiens (Human))	BDBM50389684 (CHEMBL2070051 | US10307425, Example 119 | US106321...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C22H25N7O/c1-2-30-18-6-4-15-11-16(3-5-17(15)27-18)20-19-21(23)25-13-26-22(19)29(28-20)12-14-7-9-24-10-8-14/h3-6,11,13-14,24H,2,7-10,12H2,1H3,(H2,23,25,26)	PDB MMDB NCI pathway Reactome pathway 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 CSK using Ac-KKKKEEIYFFF-OH as substrate after 180 mins				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