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Compile Data Set for Download or QSAR

Found 1 hit of kd for monomerid = 50517187   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GTPase KRas


(Homo sapiens (Human))
BDBM50517187
PNG
(CHEMBL4464335 | US11053226, Example 1-7)
Show SMILES COc1cccc2CN(CCc12)C(=O)c1c(C2CC2)n(CC(=O)NC2CN(C2)C(=O)C=C)c2c(C)cc(Cl)cc12
Show InChI InChI=1S/C31H33ClN4O4/c1-4-27(38)35-15-22(16-35)33-26(37)17-36-29-18(2)12-21(32)13-24(29)28(30(36)19-8-9-19)31(39)34-11-10-23-20(14-34)6-5-7-25(23)40-3/h4-7,12-13,19,22H,1,8-11,14-17H2,2-3H3,(H,33,37)
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MMDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.00E+4n/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to KRAS (unknown origin) by H-ddNMR analysis


ACS Med Chem Lett 10: 1302-1308 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00258
BindingDB Entry DOI: 10.7270/Q2CN778Q
More data for this
Ligand-Target Pair