BDBM676893 US20240166660, Compound B90::US20240166660, Compound B91::US20240166660, Compound B92

SMILES CN(C)C1(CC#N)CN(C1)c1nc(N2CCN([C@@H](CC#N)C2)C(=O)C(F)=C)c2c3OCCCc3c(cc2n1)-c1cccc2cccc(Cl)c12

InChI Key InChIKey=CQRDIEZOKBJADS-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 676893   

TargetGTPase KRas [G12C,C51S,C80L,C118S](Human)
Beigene Switzerland

US Patent
LigandPNGBDBM676893(US20240166660, Compound B90 | US20240166660, Compo...)
Affinity DataIC50: 15nMAssay Description:The KRAS (aa 1-169) G12C, C51S, C80L, C118S with a His-tag was expressed, purified and loaded with GDP in house. All protein and substrate solutions ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2024
Entry Details
US Patent

TargetGTPase KRas [G12C,C51S,C80L,C118S](Human)
Beigene Switzerland

US Patent
LigandPNGBDBM676893(US20240166660, Compound B90 | US20240166660, Compo...)
Affinity DataIC50: 37nMAssay Description:The KRAS (aa 1-169) G12C, C51S, C80L, C118S with a His-tag was expressed, purified and loaded with GDP in house. All protein and substrate solutions ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2024
Entry Details
US Patent

TargetGTPase KRas [G12C,C51S,C80L,C118S](Human)
Beigene Switzerland

US Patent
LigandPNGBDBM676893(US20240166660, Compound B90 | US20240166660, Compo...)
Affinity DataIC50: 381nMAssay Description:The KRAS (aa 1-169) G12C, C51S, C80L, C118S with a His-tag was expressed, purified and loaded with GDP in house. All protein and substrate solutions ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2024
Entry Details
US Patent