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SMILES: COc1cc(Cn2ccc3c(Nc4cccc(Br)c4)nc(N)nc23)cc(OC)c1OC

InChI Key: InChIKey=MXJWLONICANFEW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50366081   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50366081 (CHEMBL1956898) Show SMILES COc1cc(Cn2ccc3c(Nc4cccc(Br)c4)nc(N)nc23)cc(OC)c1OC Show InChI InChI=1S/C22H22BrN5O3/c1-29-17-9-13(10-18(30-2)19(17)31-3)12-28-8-7-16-20(26-22(24)27-21(16)28)25-15-6-4-5-14(23)11-15/h4-11H,12H2,1-3H3,(H3,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGF-induced EGFR autophosphorylation in human A431 cells incubated for 60 mins prior to EGF-induction measured after 10 mins by phospho...				Bioorg Med Chem 20: 2444-54 (2012) Article DOI: 10.1016/j.bmc.2012.01.029 BindingDB Entry DOI: 10.7270/Q2XK8G14
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50366081 (CHEMBL1956898) Show SMILES COc1cc(Cn2ccc3c(Nc4cccc(Br)c4)nc(N)nc23)cc(OC)c1OC Show InChI InChI=1S/C22H22BrN5O3/c1-29-17-9-13(10-18(30-2)19(17)31-3)12-28-8-7-16-20(26-22(24)27-21(16)28)25-15-6-4-5-14(23)11-15/h4-11H,12H2,1-3H3,(H3,24,25,26,27)	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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGFBB-induced PDGFRbeta autophosphorylation in human SF539 cells incubated for 60 mins prior to PDGFBB-induction measured after 10 min...				Bioorg Med Chem 20: 2444-54 (2012) Article DOI: 10.1016/j.bmc.2012.01.029 BindingDB Entry DOI: 10.7270/Q2XK8G14
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50366081 (CHEMBL1956898) Show SMILES COc1cc(Cn2ccc3c(Nc4cccc(Br)c4)nc(N)nc23)cc(OC)c1OC Show InChI InChI=1S/C22H22BrN5O3/c1-29-17-9-13(10-18(30-2)19(17)31-3)12-28-8-7-16-20(26-22(24)27-21(16)28)25-15-6-4-5-14(23)11-15/h4-11H,12H2,1-3H3,(H3,24,25,26,27)	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	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGF-induced VEGFR2 autophosphorylation in human U251 cells incubated for 60 mins prior to VEGF-induction measured after 10 mins by pho...				Bioorg Med Chem 20: 2444-54 (2012) Article DOI: 10.1016/j.bmc.2012.01.029 BindingDB Entry DOI: 10.7270/Q2XK8G14
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50366081 (CHEMBL1956898) Show SMILES COc1cc(Cn2ccc3c(Nc4cccc(Br)c4)nc(N)nc23)cc(OC)c1OC Show InChI InChI=1S/C22H22BrN5O3/c1-29-17-9-13(10-18(30-2)19(17)31-3)12-28-8-7-16-20(26-22(24)27-21(16)28)25-15-6-4-5-14(23)11-15/h4-11H,12H2,1-3H3,(H3,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGF-induced VEGFR1 autophosphorylation in human A498 cells incubated for 60 mins prior to VEGF-induction measured after 10 mins by pho...				Bioorg Med Chem 20: 2444-54 (2012) Article DOI: 10.1016/j.bmc.2012.01.029 BindingDB Entry DOI: 10.7270/Q2XK8G14
					More data for this Ligand-Target Pair