BindingDB PrimarySearch

BDBM50022542 CHEMBL3297898::US10189853, Compound 1

SMILES: COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12

InChI Key: InChIKey=KVMLMFRXRZLEGU-UHFFFAOYSA-N

Data: 13 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50022542
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50022542 (CHEMBL3297898 \| US10189853, Compound 1) Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12 Show InChI	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50022542 (CHEMBL3297898 \| US10189853, Compound 1) Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12 Show InChI	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50022542 (CHEMBL3297898 \| US10189853, Compound 1) Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12 Show InChI	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50022542 (CHEMBL3297898 \| US10189853, Compound 1) Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12 Show InChI	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	23	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50022542 (CHEMBL3297898 \| US10189853, Compound 1) Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50022542 (CHEMBL3297898 \| US10189853, Compound 1) Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50022542 (CHEMBL3297898 \| US10189853, Compound 1) Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22.8	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University of the Holy Spirit US Patent					Assay Description RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...				US Patent US10189853 (2019) BindingDB Entry DOI: 10.7270/Q2RX9F5S
Duquesne University of the Holy Spirit US Patent					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50022542 (CHEMBL3297898 \| US10189853, Compound 1) Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12 Show InChI	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells compound pretreated for 60 min before VEGF stimulation for 10 mins by phosphotyrosine ELISA cytoblot method				Bioorg Med Chem 23: 2408-23 (2015) Article DOI: 10.1016/j.bmc.2015.03.061 BindingDB Entry DOI: 10.7270/Q2765H1D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50022542 (CHEMBL3297898 \| US10189853, Compound 1) Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells compound pretreated for 60 min before EGF stimulation for 10 mins by phosphotyrosine ELISA cytoblot method				Bioorg Med Chem 23: 2408-23 (2015) Article DOI: 10.1016/j.bmc.2015.03.061 BindingDB Entry DOI: 10.7270/Q2765H1D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50022542 (CHEMBL3297898 \| US10189853, Compound 1) Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12 Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin assembly				Bioorg Med Chem 23: 2408-23 (2015) Article DOI: 10.1016/j.bmc.2015.03.061 BindingDB Entry DOI: 10.7270/Q2765H1D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50022542 (CHEMBL3297898 \| US10189853, Compound 1) Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	68.2	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University of the Holy Spirit US Patent					Assay Description RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...				US Patent US10189853 (2019) BindingDB Entry DOI: 10.7270/Q2RX9F5S
Duquesne University of the Holy Spirit US Patent					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50022542 (CHEMBL3297898 \| US10189853, Compound 1) Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19.1	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University of the Holy Spirit US Patent					Assay Description RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...				US Patent US10189853 (2019) BindingDB Entry DOI: 10.7270/Q2RX9F5S
Duquesne University of the Holy Spirit US Patent					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50022542 (CHEMBL3297898 \| US10189853, Compound 1) Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12 Show InChI	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	23	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGFR-beta in human U251 cells compound pretreated for 60 min before PDGF-BB stimulation for 10 mins by phosphotyrosine ELISA cytoblot ...				Bioorg Med Chem 23: 2408-23 (2015) Article DOI: 10.1016/j.bmc.2015.03.061 BindingDB Entry DOI: 10.7270/Q2765H1D
Duquesne University Curated by ChEMBL					More data for this Ligand-Target Pair