BDBM50184809 4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-(3-(methylsulfonyl)propoxy)pyrrolo[2,1-f][1,2,4]triazine::CHEMBL383077

SMILES: Cc1cc2c(F)c(Oc3ncnn4cc(OCCCS(C)(=O)=O)c(C)c34)ccc2[nH]1

InChI Key: InChIKey=DZEADOQXGYJGID-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50184809   

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))	BDBM50184809 (4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...) Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCS(C)(=O)=O)c(C)c34)ccc2[nH]1 Show InChI InChI=1S/C20H21FN4O4S/c1-12-9-14-15(24-12)5-6-16(18(14)21)29-20-19-13(2)17(10-25(19)23-11-22-20)28-7-4-8-30(3,26)27/h5-6,9-11,24H,4,7-8H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against VEGFR2				J Med Chem 49: 2143-6 (2006) Article DOI: 10.1021/jm051106d BindingDB Entry DOI: 10.7270/Q2WW7H7N
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50184809 (4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...) Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCS(C)(=O)=O)c(C)c34)ccc2[nH]1 Show InChI InChI=1S/C20H21FN4O4S/c1-12-9-14-15(24-12)5-6-16(18(14)21)29-20-19-13(2)17(10-25(19)23-11-22-20)28-7-4-8-30(3,26)27/h5-6,9-11,24H,4,7-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against CYP3A4				J Med Chem 49: 2143-6 (2006) Article DOI: 10.1021/jm051106d BindingDB Entry DOI: 10.7270/Q2WW7H7N
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50184809 (4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...) Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCS(C)(=O)=O)c(C)c34)ccc2[nH]1 Show InChI InChI=1S/C20H21FN4O4S/c1-12-9-14-15(24-12)5-6-16(18(14)21)29-20-19-13(2)17(10-25(19)23-11-22-20)28-7-4-8-30(3,26)27/h5-6,9-11,24H,4,7-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against hERG by patch-clamp assay				J Med Chem 49: 2143-6 (2006) Article DOI: 10.1021/jm051106d BindingDB Entry DOI: 10.7270/Q2WW7H7N
					More data for this Ligand-Target Pair