BDBM50122570 (2S)4-(2-Methoxymethyl-pyrrolidin-1-yl)-but-2-ynoic acid [4-(3-bromo-phenylamino)-3-cyano-quinolin-6-yl]-amide::CHEMBL157128
SMILES: COCC1CCCN1CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
InChI Key: InChIKey=CCUWFRBLNGOQSJ-UHFFFAOYSA-N
Data: 4 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM50122570 ((2S)4-(2-Methoxymethyl-pyrrolidin-1-yl)-but-2-ynoi...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Jazan University Curated by ChEMBL | Assay Description Inhibition of epidermal growth factor receptor kinase (unknown origin) using [33P]-ATP after 20 to 30 mins by radiometric assay | Eur J Med Chem 102: 115-31 (2015) BindingDB Entry DOI: 10.7270/Q2JQ12TS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM50122570 ((2S)4-(2-Methoxymethyl-pyrrolidin-1-yl)-but-2-ynoi...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 151 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology Curated by ChEMBL | Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA | Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM50122570 ((2S)4-(2-Methoxymethyl-pyrrolidin-1-yl)-but-2-ynoi...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor | J Med Chem 46: 49-63 (2002) Article DOI: 10.1021/jm020241c BindingDB Entry DOI: 10.7270/Q2PV6M3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human)) | BDBM50122570 ((2S)4-(2-Methoxymethyl-pyrrolidin-1-yl)-but-2-ynoi...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Concentration required to inhibit autophosphorylation of cytoplasmic domain of human epidermal growth factor receptor-2 | J Med Chem 46: 49-63 (2002) Article DOI: 10.1021/jm020241c BindingDB Entry DOI: 10.7270/Q2PV6M3H | |||||||||||
More data for this Ligand-Target Pair |