null
SMILES: [H][C@]12CC[C@]([H])(CN(C1)c1nc(OC[C@@H]3CCCN3C)nc3c(F)c(ncc13)-c1cc(O)cc3ccccc13)N2
InChI Key:
PDB links: 1 PDB ID matches this monomer.
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 KRas (Homo sapiens (Human)) | BDBM50585381 (CHEMBL5080840) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of KRAS G12D mutant in human AGS cells assessed as reduction in ERK phosphorylation measured after 3 hrs by In-Cell Western assay | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01688 BindingDB Entry DOI: 10.7270/Q2TM7G15 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GTPase KRas (Homo sapiens (Human)) | BDBM50585381 (CHEMBL5080840) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 182 | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to human AviTEV6His-tagged KRAS isoform 4B wild type (1 to 169 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissoc... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01688 BindingDB Entry DOI: 10.7270/Q2TM7G15 | |||||||||||
More data for this Ligand-Target Pair |