BDBM50292509 (8S,11S,14S,17S,20S,23S)-23-((S)-2-((S)-2-((S)-2-amino-5-guanidinopentanamido)-5-guanidinopentanamido)-4-methylpentanamido)-11,14,17,20-tetrakis(2-carboxyethyl)-8-methyl-4,7,10,13,16,19,22-heptaoxo-5-(2,3,5,6-tetrafluoro-4-hydroxybenzyl)-3,6,9,12,15,18,21-heptaazahexacosane-1,26-dioic acid::CHEMBL2372245
SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c(F)c(F)c(O)c(F)c1F)C(=O)NCC(O)=O
InChI Key: InChIKey=XVKISXSPXIZDKD-BKLNJXEVSA-N
Data: 2 KI
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)) | BDBM50292509 ((8S,11S,14S,17S,20S,23S)-23-((S)-2-((S)-2-((S)-2-a...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of EGFR in human A431 cells | J Nat Prod 55: 1529-1560 (1992) Article DOI: 10.1021/np50089a001 BindingDB Entry DOI: 10.7270/Q2J966CC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM50292509 ((8S,11S,14S,17S,20S,23S)-23-((S)-2-((S)-2-((S)-2-a...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of EGFR | J Nat Prod 55: 1529-1560 (1992) Article DOI: 10.1021/np50089a001 BindingDB Entry DOI: 10.7270/Q2J966CC | |||||||||||
More data for this Ligand-Target Pair |