Found 2 hits Enz. Inhib. hit(s) with Target = 'GTPase KRas [G12C]' and Ligand = 'BDBM50579986' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM50579986
(CHEMBL5076213 | US11702409, Example 2b)Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc(cc1)-n1cncn1)-c1c(Cl)c(C)cc2[nH]ncc12 |(32.12,-12.32,;33.58,-11.84,;34.83,-12.74,;36.07,-11.84,;35.59,-10.37,;34.05,-10.38,;33.15,-9.13,;33.39,-7.61,;31.87,-7.37,;31.63,-8.89,;32.26,-5.88,;30.77,-5.48,;30.37,-6.97,;30,-4.15,;30.76,-2.81,;28.46,-4.15,;27.68,-2.82,;37.54,-12.3,;37.86,-13.81,;39.33,-14.29,;40.47,-13.25,;40.14,-11.74,;38.67,-11.27,;41.94,-13.71,;42.42,-15.17,;43.96,-15.16,;44.43,-13.69,;43.18,-12.79,;34.85,-14.29,;33.52,-15.06,;32.18,-14.29,;33.52,-16.6,;32.18,-17.37,;34.85,-17.37,;36.18,-16.59,;37.65,-17.07,;38.56,-15.82,;37.65,-14.57,;36.18,-15.05,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20V8HXK |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM50579986
(CHEMBL5076213 | US11702409, Example 2b)Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc(cc1)-n1cncn1)-c1c(Cl)c(C)cc2[nH]ncc12 |(32.12,-12.32,;33.58,-11.84,;34.83,-12.74,;36.07,-11.84,;35.59,-10.37,;34.05,-10.38,;33.15,-9.13,;33.39,-7.61,;31.87,-7.37,;31.63,-8.89,;32.26,-5.88,;30.77,-5.48,;30.37,-6.97,;30,-4.15,;30.76,-2.81,;28.46,-4.15,;27.68,-2.82,;37.54,-12.3,;37.86,-13.81,;39.33,-14.29,;40.47,-13.25,;40.14,-11.74,;38.67,-11.27,;41.94,-13.71,;42.42,-15.17,;43.96,-15.16,;44.43,-13.69,;43.18,-12.79,;34.85,-14.29,;33.52,-15.06,;32.18,-14.29,;33.52,-16.6,;32.18,-17.37,;34.85,-17.37,;36.18,-16.59,;37.65,-17.07,;38.56,-15.82,;37.65,-14.57,;36.18,-15.05,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20V8HXK |
More data for this
Ligand-Target Pair | |
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