Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 494.5 BDBM50421023

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50421023 (CHEMBL2086749) Show SMILES CCN1CCC(CC1)Oc1ccc2NC(=O)C(=C(c3nc4ccc(OC)cc4[nH]3)c3ccccc3)c2c1 |w:17.18| Show InChI InChI=1S/C30H30N4O3/c1-3-34-15-13-20(14-16-34)37-22-10-11-24-23(17-22)28(30(35)33-24)27(19-7-5-4-6-8-19)29-31-25-12-9-21(36-2)18-26(25)32-29/h4-12,17-18,20H,3,13-16H2,1-2H3,(H,31,32)(H,33,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged PDGFRalpha after 2 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50421023 (CHEMBL2086749) Show SMILES CCN1CCC(CC1)Oc1ccc2NC(=O)C(=C(c3nc4ccc(OC)cc4[nH]3)c3ccccc3)c2c1 |w:17.18| Show InChI InChI=1S/C30H30N4O3/c1-3-34-15-13-20(14-16-34)37-22-10-11-24-23(17-22)28(30(35)33-24)27(19-7-5-4-6-8-19)29-31-25-12-9-21(36-2)18-26(25)32-29/h4-12,17-18,20H,3,13-16H2,1-2H3,(H,31,32)(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged FGFR1 using poly(Glu,Tyr) as substrate after 30 mins by alphascreen assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50421023 (CHEMBL2086749) Show SMILES CCN1CCC(CC1)Oc1ccc2NC(=O)C(=C(c3nc4ccc(OC)cc4[nH]3)c3ccccc3)c2c1 |w:17.18| Show InChI InChI=1S/C30H30N4O3/c1-3-34-15-13-20(14-16-34)37-22-10-11-24-23(17-22)28(30(35)33-24)27(19-7-5-4-6-8-19)29-31-25-12-9-21(36-2)18-26(25)32-29/h4-12,17-18,20H,3,13-16H2,1-2H3,(H,31,32)(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged KDR after 4 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50421023 (CHEMBL2086749) Show SMILES CCN1CCC(CC1)Oc1ccc2NC(=O)C(=C(c3nc4ccc(OC)cc4[nH]3)c3ccccc3)c2c1 |w:17.18| Show InChI InChI=1S/C30H30N4O3/c1-3-34-15-13-20(14-16-34)37-22-10-11-24-23(17-22)28(30(35)33-24)27(19-7-5-4-6-8-19)29-31-25-12-9-21(36-2)18-26(25)32-29/h4-12,17-18,20H,3,13-16H2,1-2H3,(H,31,32)(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of KDR in human HUVEC cells assessed as inhibition of VEGF-induced ERK phosphorylation incubated for 1 hr prior to VEGF-stimulation measur...				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50421023 (CHEMBL2086749) Show SMILES CCN1CCC(CC1)Oc1ccc2NC(=O)C(=C(c3nc4ccc(OC)cc4[nH]3)c3ccccc3)c2c1 |w:17.18| Show InChI InChI=1S/C30H30N4O3/c1-3-34-15-13-20(14-16-34)37-22-10-11-24-23(17-22)28(30(35)33-24)27(19-7-5-4-6-8-19)29-31-25-12-9-21(36-2)18-26(25)32-29/h4-12,17-18,20H,3,13-16H2,1-2H3,(H,31,32)(H,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	691	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged Flt1 using poly(Glu,Tyr) as substrate after 60 mins by alphascreen assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50421023 (CHEMBL2086749) Show SMILES CCN1CCC(CC1)Oc1ccc2NC(=O)C(=C(c3nc4ccc(OC)cc4[nH]3)c3ccccc3)c2c1 |w:17.18| Show InChI InChI=1S/C30H30N4O3/c1-3-34-15-13-20(14-16-34)37-22-10-11-24-23(17-22)28(30(35)33-24)27(19-7-5-4-6-8-19)29-31-25-12-9-21(36-2)18-26(25)32-29/h4-12,17-18,20H,3,13-16H2,1-2H3,(H,31,32)(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	736	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of FGFR1 in human SK-N-MC cells assessed as inhibition of FGF-induced ERK phosphorylation incubated for 1 hr prior to VEGF-stimulation mea...				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair