BDBM50073909 CHEMBL72036::{4-[(S)-2-Acetylamino-2-(1-{(S)-2-carbamoyl-1-[3-(5-methyl-indol-1-yl)-propylcarbamoyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-ethyl]-benzyl}-phosphonic acid::{4-[2-Acetylamino-2-(1-{2-carbamoyl-1-[3-(5-methyl-indol-1-yl)-propylcarbamoyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-ethyl]-benzyl}-phosphonic acid
SMILES: CC(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCn1ccc2cc(C)ccc12
InChI Key: InChIKey=DLQYBJRFYUMKRJ-VMPREFPWSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Grb2-SH2 (Homo sapiens (Human)) | BDBM50073909 (CHEMBL72036 | {4-[(S)-2-Acetylamino-2-(1-{(S)-2-ca...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description Inhibition of Growth factor receptor bound protein 2 binding by ELISA assay method | J Med Chem 43: 911-20 (2000) BindingDB Entry DOI: 10.7270/Q2WD3ZRD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Grb2-SH2 (Homo sapiens (Human)) | BDBM50073909 (CHEMBL72036 | {4-[(S)-2-Acetylamino-2-(1-{(S)-2-ca...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma Inc. Curated by ChEMBL | Assay Description Inhibition of Grb-SH2 domain binding to phosphorylated carboxy-terminal intracellular domain of epidermal growth factor receptor | Bioorg Med Chem Lett 9: 221-6 (1999) BindingDB Entry DOI: 10.7270/Q2N58KJG | |||||||||||
More data for this Ligand-Target Pair |