BDBM50089969 5-[Bis-(2-chloro-ethyl)-amino]-benzofuran-2-carboxylic acid (5-{5-[5-(2-carbamimidoyl-ethylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl]-1-methyl-1H-pyrrol-3-ylcarbamoyl}-1-methyl-1H-pyrrol-3-yl)-amide; hydrochloride::CHEMBL540313
SMILES: Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(ccc5o4)N(CCCl)CCCl)cn3C)cn2C)cc1C(=O)NCCC(N)=N
InChI Key: InChIKey=ZTNNTIMDSDUVON-UHFFFAOYSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
GTPase HRas (Homo sapiens (Human)) | BDBM50089969 (5-[Bis-(2-chloro-ethyl)-amino]-benzofuran-2-carbox...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products | J Med Chem 43: 2675-84 (2000) BindingDB Entry DOI: 10.7270/Q2959J79 | |||||||||||
More data for this Ligand-Target Pair |