Found 1198 hits of ic50 for UniProtKB: P01116 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 [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544213
(6-Chloro-1-(4- cyclopropyl-6- isopropyl-pyrimidin-...)Show SMILES CC(C)c1ncnc(C2CC2)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:30.35,wD:26.30,(-2.65,-7.73,;-1.88,-6.4,;-2.65,-5.06,;-.34,-6.4,;.43,-7.73,;1.97,-7.73,;2.74,-6.4,;1.97,-5.06,;2.74,-3.73,;4.08,-2.96,;2.74,-2.19,;.43,-5.06,;-.77,-2.94,;,-1.6,;1.54,-1.6,;2.31,-.27,;1.54,1.06,;2.31,2.4,;,1.06,;-.77,-.27,;-2.31,-.27,;-3.08,-1.6,;-2.31,-2.94,;-3.08,-4.27,;-3.08,1.06,;-2.31,2.4,;-3.08,3.73,;-2.31,5.06,;-4.62,3.73,;-5.39,2.4,;-4.62,1.06,;-5.39,-.27,;-5.39,5.06,;-6.93,5.06,;-4.62,6.4,;-5.39,7.73,;3.85,-.27,;4.62,-1.6,;6.16,-1.6,;6.93,-.27,;6.16,1.06,;4.62,1.06,;3.85,2.4,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544157
(6-Chloro-1-(4,6- diisopropylpyrimidin- 5-yl)-4-[(2...)Show SMILES CC(C)c1ccccc1-c1nc2n(-c3c(ncnc3C(C)C)C(C)C)c(=O)nc(N3C[C@@H](C)N(C[C@@H]3C)C(=O)C=C)c2cc1Cl |r,wU:35.38,wD:31.33,(3.11,3.07,;4.6,2.67,;5,4.15,;5.37,1.33,;6.91,1.33,;7.68,,;6.91,-1.33,;5.37,-1.33,;4.6,,;2.33,,;1.56,-1.33,;.02,-1.33,;-.75,-2.67,;.02,-4,;-.75,-5.33,;.02,-6.67,;1.56,-6.67,;2.33,-5.33,;1.56,-4,;2.33,-2.67,;3.87,-2.67,;2.73,-1.18,;-2.29,-5.33,;-3.78,-4.94,;-3.06,-6.67,;-2.29,-2.67,;-3.06,-4,;-3.06,-1.33,;-2.29,,;-3.06,1.33,;-2.29,2.67,;-3.06,4,;-2.29,5.33,;-4.6,4,;-5.37,2.67,;-4.6,1.33,;-5.37,,;-5.37,5.33,;-4.6,6.67,;-6.91,5.33,;-7.68,6.67,;-.75,,;.02,1.33,;1.56,1.33,;2.33,2.67,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544283
((M)-N-[2-[6- Chloro-4- [(2S,5R)-2,5- dimethyl-4- p...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1c(F)cccc1NC(=O)C1CC1 |r,wU:28.32,wD:24.27,(-2.69,-6.57,;-1.93,-5.23,;-3.41,-4.83,;-.38,-5.23,;.38,-6.57,;1.93,-6.57,;2.69,-5.23,;1.93,-3.9,;2.69,-2.56,;.38,-3.9,;-.38,-2.56,;.38,-1.23,;1.93,-1.23,;2.69,.1,;1.93,1.44,;2.69,2.77,;.38,1.44,;-.38,.1,;-1.93,.1,;-2.69,-1.23,;-1.93,-2.56,;-2.69,-3.9,;-2.69,1.44,;-1.93,2.77,;-2.69,4.1,;-1.93,5.44,;-4.23,4.1,;-5,2.77,;-4.23,1.44,;-5,.1,;-5,5.44,;-4.23,6.77,;-6.54,5.44,;-7.31,6.77,;4.23,.1,;5,1.44,;4.23,2.77,;6.54,1.44,;7.31,.1,;6.54,-1.23,;5,-1.23,;4.23,-2.56,;5,-3.9,;6.54,-3.9,;4.23,-5.23,;2.9,-6,;4.23,-6.77,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544213
(6-Chloro-1-(4- cyclopropyl-6- isopropyl-pyrimidin-...)Show SMILES CC(C)c1ncnc(C2CC2)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:30.35,wD:26.30,(-2.65,-7.73,;-1.88,-6.4,;-2.65,-5.06,;-.34,-6.4,;.43,-7.73,;1.97,-7.73,;2.74,-6.4,;1.97,-5.06,;2.74,-3.73,;4.08,-2.96,;2.74,-2.19,;.43,-5.06,;-.77,-2.94,;,-1.6,;1.54,-1.6,;2.31,-.27,;1.54,1.06,;2.31,2.4,;,1.06,;-.77,-.27,;-2.31,-.27,;-3.08,-1.6,;-2.31,-2.94,;-3.08,-4.27,;-3.08,1.06,;-2.31,2.4,;-3.08,3.73,;-2.31,5.06,;-4.62,3.73,;-5.39,2.4,;-4.62,1.06,;-5.39,-.27,;-5.39,5.06,;-6.93,5.06,;-4.62,6.4,;-5.39,7.73,;3.85,-.27,;4.62,-1.6,;6.16,-1.6,;6.93,-.27,;6.16,1.06,;4.62,1.06,;3.85,2.4,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544106
((M)-6-Chloro- 7-(2,4- difluorophenyl)- 4-[(2S,5R)-...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccc(F)cc1F |r,wU:28.32,wD:24.27,(-3.47,-6.67,;-2.69,-5.33,;-4.18,-4.94,;-1.15,-5.33,;-.38,-6.67,;1.15,-6.67,;1.93,-5.33,;1.15,-4,;1.93,-2.67,;-.38,-4,;-1.15,-2.67,;-.38,-1.33,;1.15,-1.33,;1.93,,;1.15,1.33,;1.93,2.67,;-.38,1.33,;-1.15,,;-2.69,,;-3.47,-1.33,;-2.69,-2.67,;-3.47,-4,;-3.47,1.33,;-2.69,2.67,;-3.47,4,;-2.69,5.33,;-5,4,;-5.78,2.67,;-5,1.33,;-5.78,,;-5.78,5.33,;-5,6.67,;-7.31,5.33,;-8.08,6.67,;3.47,,;4.23,-1.33,;5.78,-1.33,;6.54,,;8.08,,;5.78,1.33,;4.23,1.33,;3.47,2.67,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544212
(US11285156, Ex.# 108-1)Show SMILES CC(C)c1ncnc(C2CC2)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:30.35,wD:26.30,(.33,-24.3,;1.1,-22.97,;.33,-21.63,;2.64,-22.97,;3.41,-24.3,;4.95,-24.3,;5.72,-22.97,;4.95,-21.63,;5.72,-20.3,;7.05,-19.53,;5.72,-18.76,;3.41,-21.63,;2.35,-19.8,;3.12,-18.47,;4.66,-18.47,;5.43,-17.13,;4.66,-15.8,;5.43,-14.46,;3.12,-15.8,;2.35,-17.13,;.81,-17.13,;.04,-18.47,;.81,-19.8,;.04,-21.13,;.04,-15.8,;.81,-14.46,;.04,-13.13,;.81,-11.8,;-1.5,-13.13,;-2.27,-14.46,;-1.5,-15.8,;-2.27,-17.13,;-2.27,-11.8,;-1.5,-10.46,;-3.81,-11.8,;-4.58,-10.46,;6.97,-17.13,;7.74,-18.47,;9.28,-18.47,;10.05,-17.13,;9.28,-15.8,;7.74,-15.8,;6.97,-14.46,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544382
(4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-...)Show SMILES CC(C)c1nc(Br)nc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:29.33,wD:25.28,(-.23,-19.81,;1.11,-20.58,;1.11,-22.12,;2.44,-19.81,;3.21,-21.15,;4.75,-21.15,;5.52,-22.48,;5.52,-19.81,;4.75,-18.48,;5.52,-17.14,;3.21,-18.48,;2.44,-17.14,;3.21,-15.81,;4.75,-15.81,;5.52,-14.48,;4.75,-13.14,;5.52,-11.81,;3.21,-13.14,;2.44,-14.48,;.9,-14.48,;.13,-15.81,;.9,-17.14,;.13,-18.48,;.13,-13.14,;.9,-11.81,;.13,-10.48,;.9,-9.14,;-1.41,-10.48,;-2.18,-11.81,;-1.41,-13.14,;-2.18,-14.48,;-2.18,-9.14,;-1.41,-7.81,;-3.72,-9.14,;-4.49,-7.81,;7.06,-14.48,;7.83,-15.81,;9.37,-15.81,;10.14,-14.48,;9.37,-13.14,;7.83,-13.14,;7.06,-11.81,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM548364
(WO2022093856, Example 1-59)Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2cc(ccc12)-c1nccs1)N1CCC2(CN(C2)C(=O)C=C)C1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| WIPO WO2022093856
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V12817 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM515895
(2-(5-Chloro-2- cyclopropyl-3- ((5-methoxy-3,4- dih...)Show SMILES COc1nccc2CN(CCc12)C(=O)c1c(C2CC2)n(CC(=O)NC2CN(C2)C(=O)C=C)c2c(C)cc(Cl)cc12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DZ0CGT |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544107
((M)-6-Chloro- 4-[(2S,5R)-2,5- dimethyl-4- prop-2-e...)Show SMILES COc1c(F)cccc1-c1nc2n(-c3c(C)ccnc3C(C)C)c(=O)nc(N3C[C@@H](C)N(C[C@@H]3C)C(=O)C=C)c2cc1Cl |r,wU:33.36,wD:29.31,(5,4,;4.23,2.67,;5,1.33,;6.54,1.33,;7.31,2.67,;7.31,,;6.54,-1.33,;5,-1.33,;4.23,,;2.69,,;1.93,-1.33,;.38,-1.33,;-.38,-2.67,;.38,-4,;1.93,-4,;2.69,-2.67,;2.69,-5.33,;1.93,-6.67,;.38,-6.67,;-.38,-5.33,;-1.93,-5.33,;-2.69,-6.67,;-3.41,-4.94,;-1.93,-2.67,;-2.69,-4,;-2.69,-1.33,;-1.93,,;-2.69,1.33,;-1.93,2.67,;-2.69,4,;-1.93,5.33,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-5,5.33,;-4.23,6.67,;-6.54,5.33,;-7.31,6.67,;-.38,,;.38,1.33,;1.93,1.33,;2.69,2.67,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544076
((M)-7-(2- Amino-4,5- difluoro- phenyl)-6- chloro-4...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1cc(F)c(F)cc1N |r,wU:28.32,wD:24.27,(-3.47,-6.67,;-2.69,-5.33,;-4.18,-4.94,;-1.15,-5.33,;-.38,-6.67,;1.15,-6.67,;1.93,-5.33,;1.15,-4,;1.93,-2.67,;-.38,-4,;-1.15,-2.67,;-.38,-1.33,;1.15,-1.33,;1.93,,;1.15,1.33,;1.93,2.67,;-.38,1.33,;-1.15,,;-2.69,,;-3.47,-1.33,;-2.69,-2.67,;-3.47,-4,;-3.47,1.33,;-2.69,2.67,;-3.47,4,;-2.69,5.33,;-5,4,;-5.78,2.67,;-5,1.33,;-5.78,,;-5.78,5.33,;-5,6.67,;-7.31,5.33,;-8.08,6.67,;3.47,,;4.23,1.33,;5.78,1.33,;6.54,2.67,;6.54,,;8.08,,;5.78,-1.33,;4.23,-1.33,;3.47,-2.67,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544428
(US11285156, Ex.# 222-2)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN([C@@H]2C[C@H]12)C(=O)C=C)-c1ccccc1F |r,wU:26.29,28.30,(-3.02,-15.27,;-1.69,-16.04,;-1.69,-17.58,;-.35,-15.27,;.42,-16.61,;1.96,-16.61,;2.73,-15.27,;1.96,-13.94,;2.73,-12.61,;.42,-13.94,;-.35,-12.61,;.42,-11.27,;1.96,-11.27,;2.73,-9.94,;1.96,-8.6,;2.73,-7.27,;.42,-8.6,;-.35,-9.94,;-1.89,-9.94,;-2.66,-11.27,;-1.89,-12.61,;-2.66,-13.94,;-2.66,-8.6,;-1.89,-7.27,;-2.66,-5.94,;-4.2,-5.94,;-4.97,-7.27,;-5.74,-8.6,;-4.2,-8.6,;-4.97,-4.6,;-4.18,-3.23,;-6.56,-4.6,;-7.35,-3.23,;4.27,-9.94,;5.04,-8.6,;6.58,-8.6,;7.35,-9.94,;6.58,-11.27,;5.04,-11.27,;4.27,-12.61,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544046
(US11285156, Ex.# 92-1)Show SMILES CC(C)c1ccccc1-c1nc2n(-c3c(C)ccnc3C(C)C)c(=O)nc(N3C[C@@H](C)N(C[C@@H]3C)C(=O)C=C)c2cc1Cl |r,wU:33.36,wD:29.31,(6.39,-18.52,;7.16,-19.85,;7.93,-18.52,;7.93,-21.19,;9.47,-21.19,;10.24,-22.52,;9.47,-23.85,;7.93,-23.85,;7.16,-22.52,;5.62,-22.52,;4.85,-23.85,;3.31,-23.85,;2.54,-25.19,;3.31,-26.52,;4.85,-26.52,;5.62,-25.19,;5.62,-27.86,;4.85,-29.19,;3.31,-29.19,;2.54,-27.86,;1,-27.86,;.23,-29.19,;-.33,-27.09,;1,-25.19,;.23,-26.52,;.23,-23.85,;1,-22.52,;.23,-21.19,;1,-19.85,;.23,-18.52,;1,-17.19,;-1.31,-18.52,;-2.08,-19.85,;-1.31,-21.19,;-2.08,-22.52,;-2.08,-17.19,;-1.31,-15.85,;-3.62,-17.19,;-4.39,-15.85,;2.54,-22.52,;3.31,-21.19,;4.85,-21.19,;5.62,-19.85,)| | PDB
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| PC cid
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UniChem
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TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM548305
(WO2022093856, Example 1-2)Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2CC(C)CCc12)N1CC2(CN(C2)C(=O)C=C)C(F)(F)C1 |r| | PDB
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| WIPO WO2022093856
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V12817 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544069
((M)-2-[6- Chloro-4- [(2S,5R)-2,5- dimethyl-4- prop...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1c(F)cccc1C(N)=O |r,wU:28.32,wD:24.27,(-3.06,-6.67,;-2.29,-5.33,;-3.77,-4.94,;-.75,-5.33,;.02,-6.67,;1.56,-6.67,;2.33,-5.33,;1.56,-4,;2.33,-2.67,;.02,-4,;-.75,-2.67,;.02,-1.33,;1.56,-1.33,;2.33,,;1.56,1.33,;2.33,2.67,;.02,1.33,;-.75,,;-2.29,,;-3.06,-1.33,;-2.29,-2.67,;-3.06,-4,;-3.06,1.33,;-2.29,2.67,;-3.06,4,;-2.29,5.33,;-4.6,4,;-5.37,2.67,;-4.6,1.33,;-5.37,,;-5.37,5.33,;-4.6,6.67,;-6.91,5.33,;-7.68,6.67,;4.6,,;5.37,1.33,;4.6,2.67,;6.91,1.33,;7.68,,;6.91,-1.33,;5.37,-1.33,;4.6,-2.67,;5.37,-4,;3.06,-2.67,)| | PDB
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| PC cid
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TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544057
((M)-7-(2- Aminophenyl)- 6-chloro-4- [(2S,5R)-2,5- ...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1N |r,wU:28.32,wD:24.27,(-2.69,-6.67,;-1.93,-5.33,;-3.41,-4.94,;-.38,-5.33,;.38,-6.67,;1.93,-6.67,;2.69,-5.33,;1.93,-4,;2.69,-2.67,;.38,-4,;-.38,-2.67,;.38,-1.33,;1.93,-1.33,;2.69,,;1.93,1.33,;2.69,2.67,;.38,1.33,;-.38,,;-1.93,,;-2.69,-1.33,;-1.93,-2.67,;-2.69,-4,;-2.69,1.33,;-1.93,2.67,;-2.69,4,;-1.93,5.33,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-5,5.33,;-4.23,6.67,;-6.54,5.33,;-7.31,6.67,;4.23,,;5,1.33,;6.54,1.33,;7.31,,;6.54,-1.33,;5,-1.33,;4.23,-2.67,)| | PDB
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TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544105
((M)-6-Chloro- 4-[(2S,5R)-2,5- dimethyl-4- prop-2-e...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1cc(C)ccc1F |r,wU:28.32,wD:24.27,(-2.69,-6.67,;-1.93,-5.33,;-3.41,-4.94,;-.38,-5.33,;.38,-6.67,;1.93,-6.67,;2.69,-5.33,;1.93,-4,;2.69,-2.67,;.38,-4,;-.38,-2.67,;.38,-1.33,;1.93,-1.33,;2.69,,;1.93,1.33,;2.69,2.67,;.38,1.33,;-.38,,;-1.93,,;-2.69,-1.33,;-1.93,-2.67,;-2.69,-4,;-2.69,1.33,;-1.93,2.67,;-2.69,4,;-1.93,5.33,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-5,5.33,;-4.23,6.67,;-6.54,5.33,;-7.31,6.67,;4.23,,;5,-1.33,;6.54,-1.33,;7.31,-2.67,;7.31,,;6.54,1.33,;5,1.33,;4.23,2.67,)| | PDB
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TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544417
((M)-4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1c(F)cccc1S(C)(=O)=O |r,wU:28.32,wD:24.27,(-.26,-12.09,;-1.8,-12.09,;-1.03,-13.42,;-2.57,-13.42,;-1.8,-14.76,;-2.57,-16.09,;-4.11,-16.09,;-4.88,-14.76,;-6.42,-14.76,;-4.11,-13.42,;-4.88,-12.09,;-4.11,-10.75,;-2.57,-10.75,;-1.8,-9.42,;-2.57,-8.09,;-1.8,-6.75,;-4.11,-8.09,;-4.88,-9.42,;-6.42,-9.42,;-7.19,-10.75,;-6.42,-12.09,;-7.19,-13.42,;-7.19,-8.09,;-6.42,-6.75,;-7.19,-5.42,;-6.42,-4.09,;-8.85,-5.22,;-9.5,-6.75,;-8.73,-8.09,;-9.5,-9.42,;-9.67,-3.79,;-11.31,-3.79,;-8.85,-2.37,;-9.67,-.95,;-.26,-9.42,;.51,-10.75,;.51,-12.29,;2.05,-10.75,;2.82,-9.42,;2.05,-8.09,;.39,-7.88,;-.44,-6.46,;.98,-5.64,;-1.26,-5.04,;-1.94,-5.8,)| | PDB
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| PC cid
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TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544100
((M)-6-Chloro- 4-[(2S,5R)-2,5- dimethyl-4- prop-2-e...)Show SMILES CCc1ccccc1-c1nc2n(-c3c(C)ccnc3C(C)C)c(=O)nc(N3C[C@@H](C)N(C[C@@H]3C)C(=O)C=C)c2cc1Cl |r,wU:32.35,wD:28.30,(5,4,;4.23,2.67,;5,1.33,;6.54,1.33,;7.31,,;6.54,-1.33,;5,-1.33,;4.23,,;2.69,,;1.93,-1.33,;.38,-1.33,;-.38,-2.67,;.38,-4,;1.93,-4,;2.69,-2.67,;2.69,-5.33,;1.93,-6.67,;.38,-6.67,;-.38,-5.33,;-1.93,-5.33,;-2.69,-6.67,;-3.41,-4.94,;-1.93,-2.67,;-2.69,-4,;-2.69,-1.33,;-1.93,,;-2.69,1.33,;-1.93,2.67,;-2.69,4,;-1.93,5.33,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-5,5.33,;-4.23,6.67,;-6.54,5.33,;-7.31,6.67,;-.38,,;.38,1.33,;1.93,1.33,;2.69,2.67,)| | PDB
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| PC cid
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM548347
(WO2022093856, Example 1-42)Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2cc(OC)cnc12)N1CCC2(CN(C2)C(=O)C=C)C1 |r| | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V12817 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544248
(6-Chloro-1-(2,4- diisopropyl-3- pyridyl)-4-[(2S,5R...)Show SMILES CC(C)c1ccnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:30.34,wD:26.29,(4.24,-3.03,;2.7,-3.03,;1.92,-1.7,;1.93,-4.37,;2.7,-5.7,;1.93,-7.03,;.39,-7.03,;-.38,-5.7,;-1.92,-5.7,;-2.69,-4.37,;-2.69,-7.03,;.39,-4.37,;-.91,-2.3,;-.14,-.97,;1.4,-.97,;2.17,.37,;1.4,1.7,;2.17,3.03,;-.14,1.7,;-.91,.37,;-2.45,.37,;-3.22,-.97,;-2.45,-2.3,;-3.22,-3.63,;-3.22,1.7,;-2.45,3.03,;-3.22,4.37,;-2.45,5.7,;-4.76,4.37,;-5.53,3.03,;-4.76,1.7,;-5.53,.37,;-5.53,5.7,;-4.76,7.03,;-7.07,5.7,;-7.84,7.03,;4.76,.37,;5.53,-.97,;4.76,-2.3,;7.07,-.97,;7.84,.37,;7.07,1.7,;5.53,1.7,;4.76,3.03,)| | PDB
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544091
((M)-6-Chloro- 7-(3-chloro-2- fluoro-phenyl)- 4-[(2...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1cccc(Cl)c1F |r,wU:28.32,wD:24.27,(-2.69,-6.67,;-1.93,-5.33,;-3.41,-4.94,;-.38,-5.33,;.38,-6.67,;1.93,-6.67,;2.69,-5.33,;1.93,-4,;2.69,-2.67,;.38,-4,;-.38,-2.67,;.38,-1.33,;1.93,-1.33,;2.69,,;1.93,1.33,;2.69,2.67,;.38,1.33,;-.38,,;-1.93,,;-2.69,-1.33,;-1.93,-2.67,;-2.69,-4,;-2.69,1.33,;-1.93,2.67,;-2.69,4,;-1.93,5.33,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-5,5.33,;-4.23,6.67,;-6.54,5.33,;-7.31,6.67,;4.23,,;5,-1.33,;6.54,-1.33,;7.31,,;6.54,1.33,;7.31,2.67,;5,1.33,;4.23,2.67,)| | PDB
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| PC cid
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| US Patent
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM543968
(7-(2-Amino-6- fluoro-phenyl)- 6-chloro-1-[4- (dime...)Show SMILES CC(C)c1nccc(N(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1c(N)cccc1F |r,wU:30.34,wD:26.29,(-2.69,-6.67,;-1.93,-5.33,;-3.47,-5.33,;-.38,-5.33,;.38,-6.67,;1.93,-6.67,;2.69,-5.33,;1.93,-4,;2.69,-2.67,;4.03,-1.9,;3.78,-3.76,;.38,-4,;-.38,-2.67,;.38,-1.33,;1.93,-1.33,;2.69,,;1.93,1.33,;2.69,2.67,;.38,1.33,;-.38,,;-1.93,,;-2.69,-1.33,;-1.93,-2.67,;-2.69,-4,;-2.69,1.33,;-1.93,2.67,;-2.69,4,;-1.93,5.33,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-5,5.33,;-4.23,6.67,;-6.54,5.33,;-7.31,6.67,;4.23,,;5,-1.33,;5,-2.87,;6.54,-1.33,;7.31,,;6.54,1.33,;5,1.33,;4.23,2.67,)| | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM548341
(WO2022093856, Example 1-36)Show SMILES CNC(=O)C[C@H](CC(C)C)Nc1nc(nc2cc(cnc12)-c1nccs1)N1CCC2(CN(C2)C(=O)C=C)C1 |r| | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V12817 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544047
((M)-7-(2- Amino-6- fluoro-phenyl)- 6-chloro-1-(2- ...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1cccc2cc[nH]c12 |r,wU:28.32,wD:24.27,(-2.69,-6.67,;-1.93,-5.33,;-3.41,-4.94,;-.38,-5.33,;.38,-6.67,;1.93,-6.67,;2.69,-5.33,;1.93,-4,;2.69,-2.67,;.38,-4,;-.38,-2.67,;.38,-1.33,;1.93,-1.33,;2.69,,;1.93,1.33,;2.69,2.67,;.38,1.33,;-.38,,;-1.93,,;-2.69,-1.33,;-1.93,-2.67,;-2.69,-4,;-2.69,1.33,;-1.93,2.67,;-2.69,4,;-1.93,5.33,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-5,5.33,;-4.23,6.67,;-6.54,5.33,;-7.31,6.67,;4.23,,;5,1.33,;6.54,1.33,;7.31,,;6.54,-1.33,;7.02,-2.8,;5.78,-3.7,;4.53,-2.8,;5,-1.33,)| | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM548358
(WO2022093856, Example 1-53)Show SMILES CC(C)C[C@@H](Cc1cc(C)on1)Nc1nc(nc2CC(C)(C)CCc12)N1CCC2(CN(C2)C(=O)C=C)C1 |r| | PDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V12817 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544306
(19-chloro-22- ((2S,5R)-2,5-dimethyl- 4-(2-propenoy...)Show SMILES CC(C)c1cccc2C\C=C\Cc3ccccc3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3Cl |r,t:9| | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544090
((M)-6-Chloro- 4-[(2S,5R)-2,5- dimethyl-4- prop-2-e...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1C |r,wU:28.32,wD:24.27,(-2.69,-6.67,;-1.93,-5.33,;-3.41,-4.94,;-.38,-5.33,;.38,-6.67,;1.93,-6.67,;2.69,-5.33,;1.93,-4,;2.69,-2.67,;.38,-4,;-.38,-2.67,;.38,-1.33,;1.93,-1.33,;2.69,,;1.93,1.33,;2.69,2.67,;.38,1.33,;-.38,,;-1.93,,;-2.69,-1.33,;-1.93,-2.67,;-2.69,-4,;-2.69,1.33,;-1.93,2.67,;-2.69,4,;-1.93,5.33,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-5,5.33,;-4.23,6.67,;-6.54,5.33,;-7.31,6.67,;4.23,,;5,-1.33,;6.54,-1.33,;7.31,,;6.54,1.33,;5,1.33,;4.23,2.67,)| | PDB
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GoogleScholar
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| PC cid
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UniChem
| US Patent
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TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544415
((M)-4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1c(F)cccc1S(C)(=O)=O |r,wU:28.32,wD:24.27,(.3,-15.6,;1.07,-14.27,;1.84,-15.6,;2.61,-14.27,;3.38,-15.6,;4.92,-15.6,;5.69,-14.27,;4.92,-12.93,;5.69,-11.6,;3.38,-12.93,;2.61,-11.6,;3.38,-10.27,;4.92,-10.27,;5.69,-8.93,;4.92,-7.6,;5.69,-6.27,;3.38,-7.6,;2.61,-8.93,;1.07,-8.93,;.3,-10.27,;1.07,-11.6,;.3,-12.93,;.3,-7.6,;1.07,-6.27,;.3,-4.93,;1.07,-3.6,;-1.24,-4.93,;-2.01,-6.27,;-1.24,-7.6,;-2.01,-8.93,;-2.01,-3.6,;-1.24,-2.26,;-3.55,-3.6,;-4.32,-2.26,;7.23,-8.93,;8,-7.6,;7.23,-6.27,;9.54,-7.6,;10.31,-8.93,;9.54,-10.27,;7.97,-10.31,;7.2,-11.65,;5.87,-10.88,;6.43,-12.98,;8.53,-12.42,)| | PDB
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| PC cid
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| US Patent
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TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544207
(US11285156, Ex.# 107-1)Show SMILES CNc1nc(C(C)C)c(c(n1)C(C)C)-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:32.36,wD:28.31,(4.95,-25.93,;5.72,-24.6,;4.95,-23.26,;5.72,-21.93,;4.95,-20.6,;5.72,-19.26,;7.26,-19.26,;4.95,-17.93,;3.41,-20.6,;2.64,-21.93,;3.41,-23.26,;1.1,-21.93,;.33,-23.26,;.33,-20.6,;2.35,-18.76,;3.12,-17.43,;4.66,-17.43,;5.43,-16.1,;4.66,-14.76,;5.43,-13.43,;3.12,-14.76,;2.35,-16.1,;.81,-16.1,;.04,-17.43,;.81,-18.76,;.04,-20.1,;.04,-14.76,;.81,-13.43,;.04,-12.1,;.81,-10.76,;-1.5,-12.1,;-2.27,-13.43,;-1.5,-14.76,;-2.27,-16.1,;-2.27,-10.76,;-1.5,-9.43,;-3.81,-10.76,;-4.58,-9.43,;6.97,-16.1,;7.74,-17.43,;9.28,-17.43,;10.05,-16.1,;9.28,-14.76,;7.74,-14.76,;6.97,-13.43,)| | PDB
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544245
(US11285156, Ex.# 124-1)Show SMILES CC(C)c1ccnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:30.34,wD:26.29,(.23,-9.25,;-1.31,-9.25,;-2.08,-7.91,;-2.08,-10.58,;-1.31,-11.91,;-2.08,-13.25,;-3.62,-13.25,;-4.39,-11.91,;-5.93,-11.91,;-6.7,-13.25,;-6.7,-10.58,;-3.62,-10.58,;-4.68,-8.75,;-3.91,-7.41,;-2.37,-7.41,;-1.6,-6.08,;-2.37,-4.75,;-1.6,-3.41,;-3.91,-4.75,;-4.68,-6.08,;-6.22,-6.08,;-6.99,-7.41,;-6.22,-8.75,;-6.99,-10.08,;-6.99,-4.75,;-6.22,-3.41,;-6.99,-2.08,;-6.22,-.75,;-8.6,-1.96,;-9.3,-3.41,;-8.53,-4.75,;-9.3,-6.08,;-9.39,-.59,;-10.97,-.59,;-8.6,.79,;-9.39,2.16,;-.06,-6.08,;.71,-7.41,;2.25,-7.41,;3.02,-6.08,;2.25,-4.75,;.71,-4.75,;-.06,-3.41,)| | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544306
(19-chloro-22- ((2S,5R)-2,5-dimethyl- 4-(2-propenoy...)Show SMILES CC(C)c1cccc2C\C=C\Cc3ccccc3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3Cl |r,t:9| | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544263
(US11285156, Ex.# 125-1)Show SMILES CC(C)c1ccnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:30.34,wD:26.29,(7.81,-25.72,;6.27,-25.72,;5.5,-24.38,;5.5,-27.05,;6.27,-28.38,;5.5,-29.72,;3.96,-29.72,;3.19,-28.38,;1.65,-28.38,;.88,-29.72,;.88,-27.05,;3.96,-27.05,;2.91,-25.22,;3.68,-23.88,;5.22,-23.88,;5.99,-22.55,;5.22,-21.22,;5.99,-19.88,;3.68,-21.22,;2.91,-22.55,;1.37,-22.55,;.6,-23.88,;1.37,-25.22,;.6,-26.55,;.6,-21.22,;1.37,-19.88,;.6,-18.55,;1.37,-17.22,;-.94,-18.55,;-1.71,-19.88,;-.94,-21.22,;-1.71,-22.55,;-1.71,-17.22,;-.94,-15.88,;-3.25,-17.22,;-4.02,-15.88,;7.53,-22.55,;8.3,-23.88,;9.84,-23.88,;10.61,-22.55,;9.84,-21.22,;8.3,-21.22,;7.53,-19.88,)| | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544247
(6-Chloro-1-(2,4- diisopropyl-3- pyridyl)-4-[(2S,5R...)Show SMILES CC(C)c1ccnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1C(F)(F)F |r,wU:30.34,wD:26.29,(4.24,-3.03,;2.7,-3.03,;1.92,-1.7,;1.93,-4.37,;2.7,-5.7,;1.93,-7.03,;.39,-7.03,;-.38,-5.7,;-1.92,-5.7,;-2.69,-4.37,;-2.69,-7.03,;.39,-4.37,;-.91,-2.3,;-.14,-.97,;1.4,-.97,;2.17,.37,;1.4,1.7,;2.17,3.03,;-.14,1.7,;-.91,.37,;-2.45,.37,;-3.22,-.97,;-2.45,-2.3,;-3.22,-3.63,;-3.22,1.7,;-2.45,3.03,;-3.22,4.37,;-2.45,5.7,;-4.76,4.37,;-5.53,3.03,;-4.76,1.7,;-5.53,.37,;-5.53,5.7,;-4.76,7.03,;-7.07,5.7,;-7.84,7.03,;4.76,.37,;5.53,-.97,;7.07,-.97,;7.84,.37,;7.07,1.7,;5.53,1.7,;4.76,3.03,;3.22,3.03,;5.53,4.37,;3.99,4.37,)| | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544104
((M)-6-Chloro- 4-[(2S,5R)-2,5- dimethyl-4- prop-2-e...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1cccc(F)c1C |r,wU:28.32,wD:24.27,(-2.69,-6.67,;-1.93,-5.33,;-3.41,-4.94,;-.38,-5.33,;.38,-6.67,;1.93,-6.67,;2.69,-5.33,;1.93,-4,;2.69,-2.67,;.38,-4,;-.38,-2.67,;.38,-1.33,;1.93,-1.33,;2.69,,;1.93,1.33,;2.69,2.67,;.38,1.33,;-.38,,;-1.93,,;-2.69,-1.33,;-1.93,-2.67,;-2.69,-4,;-2.69,1.33,;-1.93,2.67,;-2.69,4,;-1.93,5.33,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-5,5.33,;-4.23,6.67,;-6.54,5.33,;-7.31,6.67,;4.23,,;5,-1.33,;6.54,-1.33,;7.31,,;6.54,1.33,;7.31,2.67,;5,1.33,;4.23,2.67,)| | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544375
(4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-...)Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)c2ncnc(C(C)C)c2-n2c3nc(Cl)c(Cl)cc3c(nc2=O)N2C[C@@H](C)N(C[C@@H]2C)C(=O)C=C)cc1 |r,wU:45.50,wD:41.45,(5.93,-.55,;6.7,.79,;5.93,2.12,;4.39,2.12,;3.62,3.46,;4.39,4.79,;3.62,6.12,;2.08,6.12,;1.31,7.46,;2.08,8.79,;3.62,8.79,;4.39,10.12,;3.62,11.46,;4.39,12.79,;5.93,12.79,;2.08,11.46,;1.15,10.28,;1.31,4.79,;2.05,3.41,;1.28,2.07,;-.26,2.07,;-1.03,3.41,;-2.36,2.64,;-3.7,3.41,;-2.36,1.1,;-.26,4.74,;-1.57,7.07,;-.8,8.4,;.74,8.4,;1.51,9.74,;3.05,9.74,;.74,11.07,;1.51,12.41,;-.8,11.07,;-1.57,9.74,;-3.11,9.74,;-3.88,8.4,;-3.11,7.07,;-3.88,5.74,;-3.88,11.07,;-3.11,12.41,;-3.88,13.74,;-3.11,15.07,;-5.42,13.74,;-6.19,12.41,;-5.42,11.07,;-6.19,9.74,;-6.19,15.07,;-5.42,16.41,;-7.73,15.07,;-8.5,16.41,;5.93,4.79,;6.7,3.46,)| | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544002
(6-Chloro-4-[(2S,5R)- 2,5-dimethyl-4-prop- 2-enoyl-...)Show SMILES CCc1ccnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:29.33,wD:25.28,(4.81,-3.11,;3.27,-3.11,;2.5,-4.44,;3.27,-5.78,;2.5,-7.11,;.96,-7.11,;.19,-5.78,;-1.35,-5.78,;-2.12,-7.11,;-2.12,-4.44,;.96,-4.44,;-.38,-2.23,;.38,-.89,;1.93,-.89,;2.69,.44,;1.93,1.78,;2.69,3.11,;.38,1.78,;-.38,.44,;-1.93,.44,;-2.69,-.89,;-1.93,-2.23,;-2.69,-3.56,;-2.69,1.78,;-1.93,3.11,;-2.69,4.44,;-1.93,5.78,;-4.23,4.44,;-5,3.11,;-4.23,1.78,;-5,.44,;-5,5.78,;-4.23,7.11,;-6.54,5.78,;-7.31,7.11,;4.23,.44,;5,-.89,;6.54,-.89,;7.31,.44,;6.54,1.78,;5,1.78,;4.23,3.11,)| | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544386
(4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-...)Show SMILES CC(C)c1nc(F)nc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:29.33,wD:25.28,(-.23,-20.14,;1.11,-20.91,;1.11,-22.45,;2.44,-20.14,;3.21,-21.47,;4.75,-21.47,;5.52,-22.8,;5.52,-20.14,;4.75,-18.8,;5.52,-17.47,;3.21,-18.8,;2.44,-17.47,;3.21,-16.14,;4.75,-16.14,;5.52,-14.8,;4.75,-13.47,;5.52,-12.13,;3.21,-13.47,;2.44,-14.8,;.9,-14.8,;.13,-16.14,;.9,-17.47,;.13,-18.8,;.13,-13.47,;.9,-12.13,;.13,-10.8,;.9,-9.47,;-1.41,-10.8,;-2.18,-12.13,;-1.41,-13.47,;-2.18,-14.8,;-2.18,-9.47,;-1.41,-8.13,;-3.72,-9.47,;-4.49,-8.13,;7.06,-14.8,;7.83,-16.14,;9.37,-16.14,;10.14,-14.8,;9.37,-13.47,;7.83,-13.47,;7.06,-12.13,)| | PDB
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544351
(US11285156, Ex.# 177-1)Show SMILES CC(C)c1nc(C=C)cc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:30.34,wD:26.29,(.61,-27.08,;1.38,-25.75,;-.16,-25.75,;2.92,-25.75,;3.69,-27.08,;5.23,-27.08,;6,-28.42,;7.54,-28.42,;6,-25.75,;5.23,-24.42,;6,-23.08,;3.69,-24.42,;2.92,-23.08,;3.69,-21.75,;5.23,-21.75,;6,-20.41,;5.23,-19.08,;6,-17.75,;3.69,-19.08,;2.92,-20.41,;1.38,-20.41,;.61,-21.75,;1.38,-23.08,;.61,-24.42,;.61,-19.08,;1.38,-17.75,;.61,-16.41,;1.38,-15.08,;-.93,-16.41,;-1.7,-17.75,;-.93,-19.08,;-1.7,-20.41,;-1.7,-15.08,;-.93,-13.75,;-3.24,-15.08,;-4.01,-13.75,;7.54,-20.41,;8.31,-21.75,;9.85,-21.75,;10.62,-20.41,;9.85,-19.08,;8.31,-19.08,;7.54,-17.75,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544052
((M)-6-Chloro- 4-[(2S,5R)-2,5- dimethyl-4- prop-2-e...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(-c3cc(C)sc3C)c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C |r,wU:35.40,wD:31.35,(-2.96,-6.67,;-2.19,-5.33,;-3.68,-4.94,;-.65,-5.33,;.12,-6.67,;1.66,-6.67,;2.43,-5.33,;1.66,-4,;2.43,-2.67,;.12,-4,;-.65,-2.67,;.12,-1.33,;1.66,-1.33,;2.43,,;3.97,,;4.87,-1.25,;6.34,-.77,;7.58,-1.68,;6.34,.77,;4.87,1.25,;4.4,2.71,;1.66,1.33,;2.43,2.67,;.12,1.33,;-.65,,;-2.19,,;-2.96,-1.33,;-2.19,-2.67,;-2.96,-4,;-2.96,1.33,;-2.19,2.67,;-2.96,4,;-2.19,5.33,;-4.5,4,;-5.27,2.67,;-4.5,1.33,;-5.27,,;-5.27,5.33,;-4.5,6.67,;-6.81,5.33,;-7.58,6.67,)| | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544171
(6-Chloro-1-(4-chloro- 6-isopropyl-pyrimidin- 5-yl)...)Show SMILES CC(C)c1ncnc(Cl)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:28.32,wD:24.27,(-2.73,-7.65,;-1.96,-6.32,;-2.73,-4.98,;-.42,-6.32,;.35,-7.65,;1.89,-7.65,;2.66,-6.32,;1.89,-4.98,;2.66,-3.65,;.35,-4.98,;-.77,-3.02,;,-1.69,;1.54,-1.69,;2.31,-.35,;1.54,.98,;2.31,2.32,;,.98,;-.77,-.35,;-2.31,-.35,;-3.08,-1.69,;-2.31,-3.02,;-3.08,-4.35,;-3.08,.98,;-2.31,2.32,;-3.08,3.65,;-2.31,4.98,;-4.62,3.65,;-5.39,2.32,;-4.62,.98,;-5.39,-.35,;-5.39,4.98,;-6.93,4.98,;-4.62,6.32,;-5.39,7.65,;3.85,-.35,;4.62,-1.69,;6.16,-1.69,;6.93,-.35,;6.16,.98,;4.62,.98,;3.85,2.32,)| | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544272
(6-Chloro-1-(2,4- diisopropyl-3- pyridyl)-4-[(2S)-2...)Show SMILES CC(C)c1ccnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1ccccc1C |r,wU:29.33,(4.29,-2.12,;2.96,-2.89,;2.96,-1.35,;2.19,-4.23,;2.96,-5.56,;2.19,-6.89,;.65,-6.89,;-.12,-5.56,;-1.66,-5.56,;-2.43,-4.23,;-2.43,-6.89,;.65,-4.23,;-.38,-2.44,;.38,-1.11,;1.93,-1.11,;2.69,.23,;1.93,1.56,;2.69,2.89,;.38,1.56,;-.38,.23,;-1.93,.23,;-2.69,-1.11,;-1.93,-2.44,;-2.69,-3.78,;-2.69,1.56,;-1.93,2.89,;-2.69,4.23,;-4.23,4.23,;-5,2.89,;-4.23,1.56,;-5,.23,;-5,5.56,;-4.23,6.89,;-6.54,5.56,;-7.31,6.89,;4.23,.23,;5,-1.11,;6.54,-1.11,;7.31,.23,;6.54,1.56,;5,1.56,;4.23,2.89,)| | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544084
((M)-6-Chloro- 4-[(2S,5R)-2,5- dimethyl-4- prop-2-e...)Show SMILES CC#Cc1ccc(F)c(c1)-c1nc2n(-c3c(C)ccnc3C(C)C)c(=O)nc(N3C[C@@H](C)N(C[C@@H]3C)C(=O)C=C)c2cc1Cl |r,wU:34.37,wD:30.32,(8.08,-5.33,;7.31,-4,;6.54,-2.67,;5.78,-1.33,;6.54,,;5.78,1.33,;4.23,1.33,;3.47,2.67,;3.47,,;4.23,-1.33,;1.93,,;1.15,-1.33,;-.38,-1.33,;-1.15,-2.67,;-.38,-4,;1.15,-4,;1.93,-2.67,;1.93,-5.33,;1.15,-6.67,;-.38,-6.67,;-1.15,-5.33,;-2.69,-5.33,;-3.47,-6.67,;-4.18,-4.94,;-2.69,-2.67,;-3.47,-4,;-3.47,-1.33,;-2.69,,;-3.47,1.33,;-2.69,2.67,;-3.47,4,;-2.69,5.33,;-5,4,;-5.78,2.67,;-5,1.33,;-5.78,,;-5.78,5.33,;-5,6.67,;-7.31,5.33,;-8.08,6.67,;-1.15,,;-.38,1.33,;1.15,1.33,;1.93,2.67,)| | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM543968
(7-(2-Amino-6- fluoro-phenyl)- 6-chloro-1-[4- (dime...)Show SMILES CC(C)c1nccc(N(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1c(N)cccc1F |r,wU:30.34,wD:26.29,(-2.69,-6.67,;-1.93,-5.33,;-3.47,-5.33,;-.38,-5.33,;.38,-6.67,;1.93,-6.67,;2.69,-5.33,;1.93,-4,;2.69,-2.67,;4.03,-1.9,;3.78,-3.76,;.38,-4,;-.38,-2.67,;.38,-1.33,;1.93,-1.33,;2.69,,;1.93,1.33,;2.69,2.67,;.38,1.33,;-.38,,;-1.93,,;-2.69,-1.33,;-1.93,-2.67,;-2.69,-4,;-2.69,1.33,;-1.93,2.67,;-2.69,4,;-1.93,5.33,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-5,5.33,;-4.23,6.67,;-6.54,5.33,;-7.31,6.67,;4.23,,;5,-1.33,;5,-2.87,;6.54,-1.33,;7.31,,;6.54,1.33,;5,1.33,;4.23,2.67,)| | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544246
(6-Chloro-1-(2,4- diisopropyl-3- pyridyl)-4-[(2S,5R...)Show SMILES CC(C)c1ccnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1C |r,wU:30.34,wD:26.29,(4.76,-3.03,;3.22,-3.03,;2.45,-1.7,;2.45,-4.37,;3.22,-5.7,;2.45,-7.03,;.91,-7.03,;.14,-5.7,;-1.4,-5.7,;-2.17,-4.37,;-2.17,-7.03,;.91,-4.37,;-.38,-2.3,;.38,-.97,;1.93,-.97,;2.69,.37,;1.93,1.7,;2.69,3.03,;.38,1.7,;-.38,.37,;-1.93,.37,;-2.69,-.97,;-1.93,-2.3,;-2.69,-3.63,;-2.69,1.7,;-1.93,3.03,;-2.69,4.37,;-1.93,5.7,;-4.23,4.37,;-5,3.03,;-4.23,1.7,;-5,.37,;-5,5.7,;-4.23,7.03,;-6.54,5.7,;-7.31,7.03,;4.23,.37,;5,-.97,;6.54,-.97,;7.31,.37,;6.54,1.7,;5,1.7,;4.23,3.03,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544096
((M)-6-Chloro- 7-(2- chlorophenyl)- 4-[(2S,5R)-2,5-...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1Cl |r,wU:28.32,wD:24.27,(-2.69,-6.67,;-1.93,-5.33,;-3.41,-4.94,;-.38,-5.33,;.38,-6.67,;1.93,-6.67,;2.69,-5.33,;1.93,-4,;2.69,-2.67,;.38,-4,;-.38,-2.67,;.38,-1.33,;1.93,-1.33,;2.69,,;1.93,1.33,;2.69,2.67,;.38,1.33,;-.38,,;-1.93,,;-2.69,-1.33,;-1.93,-2.67,;-2.69,-4,;-2.69,1.33,;-1.93,2.67,;-2.69,4,;-1.93,5.33,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-5,5.33,;-4.23,6.67,;-6.54,5.33,;-7.31,6.67,;4.23,,;5,-1.33,;6.54,-1.33,;7.31,,;6.54,1.33,;5,1.33,;4.23,2.67,)| | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544252
(6-Chloro-1-(2,4- diisopropyl-3- pyridyl)-4-[(2S,5R...)Show SMILES CC(C)c1ccccc1-c1nc2n(-c3c(ccnc3C(C)C)C(C)C)c(=O)nc(N3C[C@@H](C)N(C[C@@H]3C)C(=O)C=C)c2cc1Cl |r,wU:35.38,wD:31.33,(3.24,2.93,;4.78,2.93,;5.55,4.27,;5.55,1.6,;7.09,1.6,;7.86,.26,;7.09,-1.07,;5.55,-1.07,;4.78,.26,;2.15,.26,;1.38,-1.07,;-.16,-1.07,;-.93,-2.4,;.29,-4.27,;1.83,-4.27,;2.6,-5.6,;1.83,-6.93,;.29,-6.93,;-.48,-5.6,;-2.02,-5.6,;-2.79,-4.27,;-2.79,-6.93,;2.6,-2.93,;4.14,-2.93,;1.83,-1.6,;-2.47,-2.4,;-3.24,-3.74,;-3.24,-1.07,;-2.47,.26,;-3.24,1.6,;-2.47,2.93,;-3.24,4.27,;-2.47,5.6,;-4.78,4.27,;-5.55,2.93,;-4.78,1.6,;-5.55,.26,;-5.55,5.6,;-4.78,6.93,;-7.09,5.6,;-7.86,6.93,;-.93,.26,;-.16,1.6,;1.38,1.6,;2.15,2.93,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544111
((M)-6-Chloro- 7-(2,3- difluorophenyl)- 4-[(2S,5R)-...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1cccc(F)c1F |r,wU:28.32,wD:24.27,(-2.69,-6.67,;-1.93,-5.33,;-3.41,-4.94,;-.38,-5.33,;.38,-6.67,;1.93,-6.67,;2.69,-5.33,;1.93,-4,;2.69,-2.67,;.38,-4,;-.38,-2.67,;.38,-1.33,;1.93,-1.33,;2.69,,;1.93,1.33,;2.69,2.67,;.38,1.33,;-.38,,;-1.93,,;-2.69,-1.33,;-1.93,-2.67,;-2.69,-4,;-2.69,1.33,;-1.93,2.67,;-2.69,4,;-1.93,5.33,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-5,5.33,;-4.23,6.67,;-6.54,5.33,;-7.31,6.67,;4.23,,;5,-1.33,;6.54,-1.33,;7.31,,;6.54,1.33,;7.31,2.67,;5,1.33,;4.23,2.67,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544216
(6-Chloro-1-(4- cyclopropyl-6- isopropyl-pyrimidin-...)Show SMILES CC(C)c1ncnc(C2CC2)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1C |r,wU:30.35,wD:26.30,(-2.65,-7.73,;-1.88,-6.4,;-2.65,-5.06,;-.34,-6.4,;.43,-7.73,;1.97,-7.73,;2.74,-6.4,;1.97,-5.06,;2.74,-3.73,;4.08,-2.96,;2.74,-2.19,;.43,-5.06,;-.77,-2.94,;,-1.6,;1.54,-1.6,;2.31,-.27,;1.54,1.06,;2.31,2.4,;,1.06,;-.77,-.27,;-2.31,-.27,;-3.08,-1.6,;-2.31,-2.94,;-3.08,-4.27,;-3.08,1.06,;-2.31,2.4,;-3.08,3.73,;-2.31,5.06,;-4.62,3.73,;-5.39,2.4,;-4.62,1.06,;-5.39,-.27,;-5.39,5.06,;-6.93,5.06,;-4.62,6.4,;-5.39,7.73,;3.85,-.27,;4.62,-1.6,;6.16,-1.6,;6.93,-.27,;6.16,1.06,;4.62,1.06,;3.85,2.4,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12C,C118A]
(Homo sapiens (Human)) | BDBM544271
(6-Chloro-1-(4- cyclopropyl-2- isopropyl-3- pyridyl...)Show SMILES CC(C)c1nccc(C2CC2)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1C |r,wU:30.35,wD:26.30,(-2.43,-4.23,;-1.66,-5.56,;-2.43,-6.89,;-.12,-5.56,;.65,-6.89,;2.19,-6.89,;2.96,-5.56,;2.19,-4.23,;2.96,-2.89,;4.29,-2.12,;2.96,-1.35,;.65,-4.23,;-.38,-2.44,;.38,-1.11,;1.93,-1.11,;2.69,.23,;1.93,1.56,;2.69,2.89,;.38,1.56,;-.38,.23,;-1.93,.23,;-2.69,-1.11,;-1.93,-2.44,;-2.69,-3.78,;-2.69,1.56,;-1.93,2.89,;-2.69,4.23,;-1.93,5.56,;-4.23,4.23,;-5,2.89,;-4.23,1.56,;-5,.23,;-5,5.56,;-4.23,6.89,;-6.54,5.56,;-7.31,6.89,;4.23,.23,;5,-1.11,;6.54,-1.11,;7.31,.23,;6.54,1.56,;5,1.56,;4.23,2.89,)| | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2959MS9 |
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Ligand-Target Pair | |
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