BindingDB PrimarySearch

BDBM50331094 4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-methoxyquinoline-6-carboxamide::4-(3-chloro-4-(N'-cyclopropylureido)phenoxy)-7-methoxyquinoline-6-carboxamide::CHEMBL1289601::E-7080::Lenvatinib mesilate::Lenvima::lenvatinib

SMILES: COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O

InChI Key: InChIKey=WOSKHXYHFSIKNG-UHFFFAOYSA-N

Data: 4 KI 8 IC50 2 Kd

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50331094
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
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of RET (unknown origin)				J Med Chem 58: 3672-81 (2015) Article DOI: 10.1021/jm501464c BindingDB Entry DOI: 10.7270/Q2RR2106
					More data for this Ligand-Target Pair
Carbonic anhydrase V (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111565
"Magna Gr£cia" University of Catanzaro Curated by ChEMBL					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Inhibition of VEGFR2				J Med Chem 55: 10797-822 (2012) Article DOI: 10.1021/jm301085w BindingDB Entry DOI: 10.7270/Q2BP03XZ
University of Genoa Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human VEGFR2				J Med Chem 61: 140-157 (2018) Article DOI: 10.1021/acs.jmedchem.7b01091 BindingDB Entry DOI: 10.7270/Q2GB26GX
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Fuzhou University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				Eur J Med Chem 179: 916-935 (2019) Article DOI: 10.1016/j.ejmech.2019.06.070
Fuzhou University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Fuzhou University Curated by ChEMBL					Assay Description Inhibition of VEGFR1 (unknown origin)				Eur J Med Chem 179: 916-935 (2019) Article DOI: 10.1016/j.ejmech.2019.06.070
Fuzhou University Curated by ChEMBL					More data for this Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Fuzhou University Curated by ChEMBL					Assay Description Inhibition of VEGFR3 (unknown origin)				Eur J Med Chem 179: 916-935 (2019) Article DOI: 10.1016/j.ejmech.2019.06.070
Fuzhou University Curated by ChEMBL					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged VEGFR2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system using Ulight-JA...				Eur J Med Chem 175: 349-356 (2019) Article DOI: 10.1016/j.ejmech.2019.04.015
Beijing University of Technology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 1 and 2 (Flt-1 and KDR) (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents		n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents		n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Inhibition of VEGFR3				J Med Chem 55: 10797-822 (2012) Article DOI: 10.1021/jm301085w BindingDB Entry DOI: 10.7270/Q2BP03XZ
University of Genoa Curated by ChEMBL					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 45: 5420-7 (2010) Article DOI: 10.1016/j.ejmech.2010.09.002 BindingDB Entry DOI: 10.7270/Q2TX3FMZ
Konkuk University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents		n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Ferrochelatase R115L (FECH) (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a
Technical University of Munich					Assay Description Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...				ACS Chem Biol 11: 1245-54 (2016) Article DOI: 10.1021/acschembio.5b01063 BindingDB Entry DOI: 10.7270/Q2FB51R8
Technical University of Munich					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50331094 (4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to VEGFR2 (unknown origin) by proteros reporter displacement assay				ACS Med Chem Lett 6: 89-94 (2015) Article DOI: 10.1021/ml500394m BindingDB Entry DOI: 10.7270/Q2WH2RMS
Eisai Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)