BDBM50421030 CHEMBL2086758

SMILES: CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccccc3)c2c1

InChI Key: InChIKey=PAUHYDQXWBOZBD-UHFFFAOYSA-N

Data: 7 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50421030   

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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50421030 (CHEMBL2086758) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccccc3)c2c1 Show InChI InChI=1S/C25H27N5O/c1-2-30-14-10-18(11-15-30)28-19-8-9-21-20(16-19)23(25(31)29-21)22(24-26-12-13-27-24)17-6-4-3-5-7-17/h3-9,12-13,16,18,28H,2,10-11,14-15H2,1H3,(H,26,27)(H,29,31)	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	16	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
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50421030 (CHEMBL2086758) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccccc3)c2c1 Show InChI InChI=1S/C25H27N5O/c1-2-30-14-10-18(11-15-30)28-19-8-9-21-20(16-19)23(25(31)29-21)22(24-26-12-13-27-24)17-6-4-3-5-7-17/h3-9,12-13,16,18,28H,2,10-11,14-15H2,1H3,(H,26,27)(H,29,31)	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	154	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50421030 (CHEMBL2086758) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccccc3)c2c1 Show InChI InChI=1S/C25H27N5O/c1-2-30-14-10-18(11-15-30)28-19-8-9-21-20(16-19)23(25(31)29-21)22(24-26-12-13-27-24)17-6-4-3-5-7-17/h3-9,12-13,16,18,28H,2,10-11,14-15H2,1H3,(H,26,27)(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of CYP3A4				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))	BDBM50421030 (CHEMBL2086758) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccccc3)c2c1 Show InChI InChI=1S/C25H27N5O/c1-2-30-14-10-18(11-15-30)28-19-8-9-21-20(16-19)23(25(31)29-21)22(24-26-12-13-27-24)17-6-4-3-5-7-17/h3-9,12-13,16,18,28H,2,10-11,14-15H2,1H3,(H,26,27)(H,29,31)	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	235	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
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50421030 (CHEMBL2086758) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccccc3)c2c1 Show InChI InChI=1S/C25H27N5O/c1-2-30-14-10-18(11-15-30)28-19-8-9-21-20(16-19)23(25(31)29-21)22(24-26-12-13-27-24)17-6-4-3-5-7-17/h3-9,12-13,16,18,28H,2,10-11,14-15H2,1H3,(H,26,27)(H,29,31)	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	12	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
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50421030 (CHEMBL2086758) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccccc3)c2c1 Show InChI InChI=1S/C25H27N5O/c1-2-30-14-10-18(11-15-30)28-19-8-9-21-20(16-19)23(25(31)29-21)22(24-26-12-13-27-24)17-6-4-3-5-7-17/h3-9,12-13,16,18,28H,2,10-11,14-15H2,1H3,(H,26,27)(H,29,31)	PDB KEGG UniProtKB/SwissProt 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
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
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50421030 (CHEMBL2086758) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccccc3)c2c1 Show InChI InChI=1S/C25H27N5O/c1-2-30-14-10-18(11-15-30)28-19-8-9-21-20(16-19)23(25(31)29-21)22(24-26-12-13-27-24)17-6-4-3-5-7-17/h3-9,12-13,16,18,28H,2,10-11,14-15H2,1H3,(H,26,27)(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	166	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