BDBM50085874 2-{4-[(S)-2-(1-{(S)-2-Carbamoyl-1-[3-(5-methyl-indol-1-yl)-propylcarbamoyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-2-(oxalyl-amino)-ethyl]-phenyl}-malonic acid::2-{4-[2-(1-{2-Carbamoyl-1-[3-(5-methyl-indol-1-yl)-propylcarbamoyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-2-(oxalyl-amino)-ethyl]-phenyl}-malonic acid::CHEMBL279961
SMILES: Cc1ccc2n(CCCNC(=O)[C@H](CC(N)=O)NC(=O)C3(CCCCC3)NC(=O)[C@H](Cc3ccc(cc3)C(C(O)=O)C(O)=O)NC(=O)C(O)=O)ccc2c1
InChI Key: InChIKey=BWMUTXRIOZYZEZ-UIOOFZCWSA-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)) | BDBM50085874 (2-{4-[(S)-2-(1-{(S)-2-Carbamoyl-1-[3-(5-methyl-ind...) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
NOVARTIS Pharma AG Curated by ChEMBL | Assay Description Inhibitory concentration required against Src homology (SH2) domain of Growth factor receptor bound protein 2 by ELISA binding assay | Bioorg Med Chem Lett 11: 1201-3 (2001) BindingDB Entry DOI: 10.7270/Q2G1603X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Grb2-SH2 (Homo sapiens (Human)) | BDBM50085874 (2-{4-[(S)-2-(1-{(S)-2-Carbamoyl-1-[3-(5-methyl-ind...) | 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 | 8 | 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 |