BDBM50168312 2-{4-[(16R,20S)-18-((S)-Carbamoylmethyl)-9-carboxymethyl-14-(5-methyl-indol-1-ylmethyl)-20-(S)-oxo-8,17-dioxo-7,16,19-triaza-spiro[5.14]icos-11-en-10-yl]-phenyl}-malonic acid::CHEMBL191728
SMILES: Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(cc3)C(C(O)=O)C(O)=O)ccc2c1
InChI Key: InChIKey=ZUXPTLXJHBSAQT-YUAXJFSXSA-N
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)) | BDBM50168312 (2-{4-[(16R,20S)-18-((S)-Carbamoylmethyl)-9-carboxy...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description Inhibitory concentration against growth factor receptor bound protein 2 | J Med Chem 48: 3945-8 (2005) Article DOI: 10.1021/jm050059m BindingDB Entry DOI: 10.7270/Q2V69J48 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Grb2-SH2 (Homo sapiens (Human)) | BDBM50168312 (2-{4-[(16R,20S)-18-((S)-Carbamoylmethyl)-9-carboxy...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 3.62 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description Dissociation constant value against growth factor receptor bound protein 2 | J Med Chem 48: 3945-8 (2005) Article DOI: 10.1021/jm050059m BindingDB Entry DOI: 10.7270/Q2V69J48 | |||||||||||
More data for this Ligand-Target Pair |