Found 24 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,G12D]
() | BDBM550333
(4-((2S,5R,M)-4-Acryloyl-2,5-dimethylpiperazin-1-yl...)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(N)cccc1F |r,wU:28.32,wD:24.27,(-5.82,-7.11,;-5.05,-5.78,;-5.82,-4.44,;-3.51,-5.78,;-3.51,-7.31,;-2.18,-8.08,;-.85,-7.31,;-.85,-5.78,;.49,-5,;-2.18,-5,;-2.18,-3.47,;-.85,-2.69,;.49,-3.47,;1.82,-2.69,;1.82,-1.15,;3.16,-.38,;.49,-.38,;-.85,-1.15,;-2.18,-.38,;-3.51,-1.15,;-3.51,-2.69,;-4.85,-3.47,;-2.18,1.15,;-.85,1.93,;-.85,3.47,;.49,4.23,;-2.18,4.23,;-3.51,3.47,;-3.51,1.93,;-4.85,1.15,;-2.18,5.78,;-3.51,6.54,;-.85,6.54,;-.85,8.08,;3.16,-3.47,;3.16,-5,;1.82,-5.78,;4.49,-5.78,;5.82,-5,;5.82,-3.47,;4.49,-2.69,;4.49,-1.15,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550345
((M)-4-(4-Acryloyl-cis-3,5-dimethylpiperazin-1-yl)-...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1c(N)cccc1F |r,wD:27.30,24.27,(-6.23,-7.11,;-5.46,-5.78,;-6.23,-4.44,;-3.92,-5.78,;-3.92,-7.32,;-2.58,-8.08,;-1.25,-7.32,;-1.25,-5.78,;.08,-5.01,;-2.58,-5.01,;-2.58,-3.47,;-1.25,-2.7,;.08,-3.47,;1.42,-2.7,;1.42,-1.16,;2.75,-.39,;.08,-.39,;-1.25,-1.16,;-2.58,-.39,;-3.92,-1.16,;-3.92,-2.7,;-5.25,-3.47,;-2.58,1.15,;-3.92,1.92,;-3.92,3.46,;-5.25,4.23,;-2.58,4.23,;-1.25,3.46,;.08,4.23,;-1.25,1.92,;-2.58,5.77,;-3.92,6.54,;-1.25,6.54,;-1.25,8.08,;3.56,-3.93,;3.56,-5.47,;2.23,-6.24,;4.89,-6.24,;6.23,-5.47,;6.23,-3.93,;4.89,-3.16,;4.89,-1.62,)| | 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
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550344
((M)-4-(4-Acryloyl-cis-3,5-dimethylpiperazin-1-yl)-...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1c(O)cccc1F |r,wD:27.30,24.27,(-6.23,-7.11,;-5.46,-5.78,;-6.23,-4.44,;-3.92,-5.78,;-3.92,-7.32,;-2.58,-8.08,;-1.25,-7.32,;-1.25,-5.78,;.08,-5.01,;-2.58,-5.01,;-2.58,-3.47,;-1.25,-2.7,;.08,-3.47,;1.42,-2.7,;1.42,-1.16,;2.75,-.39,;.08,-.39,;-1.25,-1.16,;-2.58,-.39,;-3.92,-1.16,;-3.92,-2.7,;-5.25,-3.47,;-2.58,1.15,;-3.92,1.92,;-3.92,3.46,;-5.25,4.23,;-2.58,4.23,;-1.25,3.46,;.08,4.23,;-1.25,1.92,;-2.58,5.77,;-3.92,6.54,;-1.25,6.54,;-1.25,8.08,;3.56,-3.93,;3.56,-5.47,;2.23,-6.24,;4.89,-6.24,;6.23,-5.47,;6.23,-3.93,;4.89,-3.16,;4.89,-1.62,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550332
(4-((2S,5R,M)-4-Acryloyl-2,5-dimethylpiperazin-1-yl...)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(O)cccc1F |r,wU:28.32,wD:24.27,(-5.82,-7.11,;-5.05,-5.78,;-5.82,-4.44,;-3.51,-5.78,;-3.51,-7.31,;-2.18,-8.08,;-.85,-7.31,;-.85,-5.78,;.49,-5,;-2.18,-5,;-2.18,-3.47,;-.85,-2.69,;.49,-3.47,;1.82,-2.69,;1.82,-1.15,;3.16,-.38,;.49,-.38,;-.85,-1.15,;-2.18,-.38,;-3.51,-1.15,;-3.51,-2.69,;-4.85,-3.47,;-2.18,1.15,;-.85,1.93,;-.85,3.47,;.49,4.23,;-2.18,4.23,;-3.51,3.47,;-3.51,1.93,;-4.85,1.15,;-2.18,5.78,;-3.51,6.54,;-.85,6.54,;-.85,8.08,;3.16,-3.47,;3.16,-5,;1.82,-5.78,;4.49,-5.78,;5.82,-5,;5.82,-3.47,;4.49,-2.69,;4.49,-1.15,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| 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
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550338
(4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-...)Show SMILES CC(C)c1ncnc(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,(1.8,-5.01,;.26,-5.01,;1.35,-3.92,;-1.07,-5.78,;-1.07,-7.32,;-2.4,-8.08,;-3.74,-7.32,;-3.74,-5.78,;-5.07,-5.01,;-6.41,-5.78,;-6.41,-4.24,;-2.4,-5.01,;-2.4,-3.47,;-1.07,-2.7,;.26,-3.47,;1.6,-2.7,;1.6,-1.16,;2.93,-.39,;.26,-.39,;-1.07,-1.16,;-2.4,-.39,;-3.74,-1.16,;-3.74,-2.7,;-5.07,-3.47,;-2.4,1.15,;-1.07,1.92,;-1.07,3.46,;.26,4.23,;-2.4,4.23,;-3.74,3.46,;-3.74,1.92,;-5.07,1.15,;-2.4,5.77,;-1.07,6.54,;-3.74,6.54,;-3.74,8.08,;3.74,-3.93,;3.74,-5.47,;2.4,-6.24,;5.07,-6.24,;6.41,-5.47,;6.41,-3.93,;5.07,-3.16,;5.07,-1.62,)| | PDB
UniProtKB/SwissProt
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
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550350
(4-(4-Acryloyl-cis-3,5-dimethylpiperazin-1-yl)-6-ch...)Show SMILES CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1c(O)cccc1F |r,wD:29.32,26.29,(2.21,-5.01,;.67,-5.01,;1.76,-3.92,;-.67,-5.78,;-.67,-7.32,;-2,-8.08,;-3.33,-7.32,;-3.33,-5.78,;-4.67,-5.01,;-6,-5.78,;-6,-4.24,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;3.33,-.39,;.67,-.39,;-.67,-1.16,;-2,-.39,;-3.33,-1.16,;-3.33,-2.7,;-4.67,-3.47,;-2,1.15,;-3.33,1.92,;-3.33,3.46,;-4.67,4.23,;-2,4.23,;-.67,3.46,;.67,4.23,;-.67,1.92,;-2,5.77,;-.67,6.54,;-3.33,6.54,;-3.33,8.08,;3.33,-3.47,;3.33,-5.01,;2,-5.78,;4.67,-5.78,;6,-5.01,;6,-3.47,;4.67,-2.7,;4.67,-1.16,)| | 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
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550336
(4-((2S,5R,M)-4-Acryloyl-2,5-dimethylpiperazin-1-yl...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1c(N)cccc1F |r,wU:28.32,wD:24.27,(-6.23,-7.11,;-5.46,-5.78,;-6.23,-4.44,;-3.92,-5.78,;-3.92,-7.32,;-2.58,-8.08,;-1.25,-7.32,;-1.25,-5.78,;.08,-5.01,;-2.58,-5.01,;-2.58,-3.47,;-1.25,-2.7,;.08,-3.47,;1.42,-2.7,;1.42,-1.16,;2.75,-.39,;.08,-.39,;-1.25,-1.16,;-2.58,-.39,;-3.92,-1.16,;-3.92,-2.7,;-5.25,-3.47,;-2.58,1.15,;-1.25,1.92,;-1.25,3.46,;.08,4.23,;-2.58,4.23,;-3.92,3.46,;-3.92,1.92,;-5.25,1.15,;-2.58,5.77,;-3.92,6.54,;-1.25,6.54,;-1.25,8.08,;3.56,-3.93,;3.56,-5.47,;2.23,-6.24,;4.89,-6.24,;6.23,-5.47,;6.23,-3.93,;4.89,-3.16,;4.89,-1.62,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550331
(4-((2S,5R,M)-4-Acryloyl-2,5-dimethylpiperazin-1-yl...)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)-c1ccccc1F |r,wU:28.32,wD:24.27,(-2.79,-4.73,;-1.46,-5.5,;-1.46,-7.04,;-.12,-4.73,;.65,-6.07,;2.19,-6.07,;2.96,-4.73,;2.19,-3.4,;2.96,-2.07,;.65,-3.4,;-.12,-2.07,;.67,-.73,;2.21,-.73,;2.98,.6,;2.21,1.94,;2.98,3.27,;.67,1.94,;-.1,.6,;-1.64,.6,;-2.41,-.73,;-1.64,-2.07,;-2.41,-3.4,;-2.53,1.86,;-1.88,3.26,;-2.76,4.52,;-2.11,5.92,;-4.29,4.39,;-4.95,2.99,;-4.06,1.73,;-4.71,.33,;-5.18,5.65,;-4.53,7.04,;-6.71,5.51,;-7.6,6.77,;4.52,.6,;5.29,-.73,;6.83,-.73,;7.6,.6,;6.83,1.94,;5.29,1.94,;4.52,3.27,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550349
(4-(4-Acryloyl-cis-3,5-dimethylpiperazin-1-yl)-6-ch...)Show SMILES CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1ccccc1F |r,wD:29.32,26.29,(2,-5.78,;.67,-5.01,;2.15,-4.61,;-.67,-5.78,;-.67,-7.32,;-2,-8.08,;-3.33,-7.32,;-3.33,-5.78,;-4.67,-5.01,;-6,-5.78,;-6,-4.24,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;3.33,-.39,;.67,-.39,;-.67,-1.16,;-2,-.39,;-3.33,-1.16,;-3.33,-2.7,;-4.67,-3.47,;-2,1.15,;-3.33,1.92,;-3.33,3.46,;-4.67,4.23,;-2,4.23,;-.67,3.46,;.67,4.23,;-.67,1.92,;-2,5.77,;-.67,6.54,;-3.33,6.54,;-3.33,8.08,;3.33,-3.47,;3.33,-5.01,;4.67,-5.78,;6,-5.01,;6,-3.47,;4.67,-2.7,;4.67,-1.16,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550337
(4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-...)Show SMILES CC(C)c1ncnc(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,(2,-5.78,;.67,-5.01,;2.15,-4.61,;-.67,-5.78,;-.67,-7.32,;-2,-8.08,;-3.33,-7.32,;-3.33,-5.78,;-4.67,-5.01,;-6,-5.78,;-6,-4.24,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;3.33,-.39,;.67,-.39,;-.67,-1.16,;-2,-.39,;-3.33,-1.16,;-3.33,-2.7,;-4.67,-3.47,;-2,1.15,;-.67,1.92,;-.67,3.46,;.67,4.23,;-2,4.23,;-3.33,3.46,;-3.33,1.92,;-4.67,1.15,;-2,5.77,;-.67,6.54,;-3.33,6.54,;-3.33,8.08,;3.33,-3.47,;3.33,-5.01,;4.67,-5.78,;6,-5.01,;6,-3.47,;4.67,-2.7,;4.67,-1.16,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550343
((M)-4-(4-Acryloyl-cis-3,5-dimethylpiperazin-1-yl)-...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1ccccc1F |r,wD:27.30,24.27,(-2.28,-4.43,;-.95,-5.2,;-.95,-6.74,;.39,-4.43,;1.16,-5.77,;2.7,-5.77,;3.47,-4.43,;2.7,-3.1,;3.47,-1.77,;1.16,-3.1,;.39,-1.77,;1.16,-.43,;2.7,-.43,;3.47,.9,;2.7,2.23,;3.47,3.57,;1.16,2.23,;.39,.9,;-1.15,.9,;-1.92,-.43,;-1.15,-1.77,;-1.92,-3.1,;-2.24,1.99,;-3.73,1.59,;-4.82,2.68,;-6.31,2.28,;-4.42,4.17,;-2.93,4.57,;-2.53,6.05,;-1.84,3.48,;-5.51,5.26,;-5.11,6.74,;-7,4.86,;-8.09,5.95,;5.01,.9,;5.78,-.43,;7.32,-.43,;8.09,.9,;7.32,2.23,;5.78,2.23,;5.01,3.57,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550339
(4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-...)Show SMILES CC(C)c1ncnc(C(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,(1.8,-5.01,;.26,-5.01,;1.35,-3.92,;-1.07,-5.78,;-1.07,-7.32,;-2.4,-8.08,;-3.74,-7.32,;-3.74,-5.78,;-5.07,-5.01,;-6.41,-5.78,;-6.41,-4.24,;-2.4,-5.01,;-2.4,-3.47,;-1.07,-2.7,;.26,-3.47,;1.6,-2.7,;1.6,-1.16,;2.93,-.39,;.26,-.39,;-1.07,-1.16,;-2.4,-.39,;-3.74,-1.16,;-3.74,-2.7,;-5.07,-3.47,;-2.4,1.15,;-1.07,1.92,;-1.07,3.46,;.26,4.23,;-2.4,4.23,;-3.74,3.46,;-3.74,1.92,;-5.07,1.15,;-2.4,5.77,;-1.07,6.54,;-3.74,6.54,;-3.74,8.08,;3.74,-3.93,;3.74,-5.47,;2.4,-6.24,;5.07,-6.24,;6.41,-5.47,;6.41,-3.93,;5.07,-3.16,;5.07,-1.62,)| | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550348
((M)-4-(4-Acryloyl-cis-3,5-dimethylpiperazin-1-yl)-...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1c(N)cccc1F |r,wD:27.30,24.27,(-6.23,-7.11,;-5.46,-5.78,;-6.23,-4.44,;-3.92,-5.78,;-3.92,-7.32,;-2.58,-8.08,;-1.25,-7.32,;-1.25,-5.78,;.08,-5.01,;-2.58,-5.01,;-2.58,-3.47,;-1.25,-2.7,;.08,-3.47,;1.42,-2.7,;1.42,-1.16,;2.75,-.39,;.08,-.39,;-1.25,-1.16,;-2.58,-.39,;-3.92,-1.16,;-3.92,-2.7,;-5.25,-3.47,;-2.58,1.15,;-3.92,1.92,;-3.92,3.46,;-5.25,4.23,;-2.58,4.23,;-1.25,3.46,;.08,4.23,;-1.25,1.92,;-2.58,5.77,;-3.92,6.54,;-1.25,6.54,;-1.25,8.08,;3.56,-3.93,;3.56,-5.47,;2.23,-6.24,;4.89,-6.24,;6.23,-5.47,;6.23,-3.93,;4.89,-3.16,;4.89,-1.62,)| | PDB
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550335
(4-((2S,5R,M)-4-Acryloyl-2,5-dimethylpiperazin-1-yl...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:28.32,wD:24.27,(-5.82,-7.11,;-5.05,-5.78,;-5.82,-4.44,;-3.51,-5.78,;-3.51,-7.31,;-2.18,-8.08,;-.85,-7.31,;-.85,-5.78,;.49,-5,;-2.18,-5,;-2.18,-3.47,;-.85,-2.69,;.49,-3.47,;1.82,-2.69,;1.82,-1.15,;3.16,-.38,;.49,-.38,;-.85,-1.15,;-2.18,-.38,;-3.51,-1.15,;-3.51,-2.69,;-4.85,-3.47,;-2.18,1.15,;-.85,1.93,;-.85,3.47,;.49,4.23,;-2.18,4.23,;-3.51,3.47,;-3.51,1.93,;-4.85,1.15,;-2.18,5.78,;-3.51,6.54,;-.85,6.54,;-.85,8.08,;3.16,-3.47,;3.16,-5,;1.82,-5.78,;4.49,-5.78,;5.82,-5,;5.82,-3.47,;4.49,-2.69,;4.49,-1.15,)| | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550351
(4-(4-Acryloyl-cis-3,5-dimethylpiperazin-1-yl)-7-(2...)Show SMILES CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1c(N)cccc1F |r,wD:29.32,26.29,(2.21,-5.01,;.67,-5.01,;1.76,-3.92,;-.67,-5.78,;-.67,-7.32,;-2,-8.08,;-3.33,-7.32,;-3.33,-5.78,;-4.67,-5.01,;-6,-5.78,;-6,-4.24,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;3.33,-.39,;.67,-.39,;-.67,-1.16,;-2,-.39,;-3.33,-1.16,;-3.33,-2.7,;-4.67,-3.47,;-2,1.15,;-3.33,1.92,;-3.33,3.46,;-4.67,4.23,;-2,4.23,;-.67,3.46,;.67,4.23,;-.67,1.92,;-2,5.77,;-.67,6.54,;-3.33,6.54,;-3.33,8.08,;3.33,-3.47,;3.33,-5.01,;2,-5.78,;4.67,-5.78,;6,-5.01,;6,-3.47,;4.67,-2.7,;4.67,-1.16,)| | PDB
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550347
((M)-4-(4-Acryloyl-cis-3,5-dimethylpiperazin-1-yl)-...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1c(O)cccc1F |r,wD:27.30,24.27,(-6.23,-7.11,;-5.46,-5.78,;-6.23,-4.44,;-3.92,-5.78,;-3.92,-7.32,;-2.58,-8.08,;-1.25,-7.32,;-1.25,-5.78,;.08,-5.01,;-2.58,-5.01,;-2.58,-3.47,;-1.25,-2.7,;.08,-3.47,;1.42,-2.7,;1.42,-1.16,;2.75,-.39,;.08,-.39,;-1.25,-1.16,;-2.58,-.39,;-3.92,-1.16,;-3.92,-2.7,;-5.25,-3.47,;-2.58,1.15,;-3.92,1.92,;-3.92,3.46,;-5.25,4.23,;-2.58,4.23,;-1.25,3.46,;.08,4.23,;-1.25,1.92,;-2.58,5.77,;-3.92,6.54,;-1.25,6.54,;-1.25,8.08,;3.56,-3.93,;3.56,-5.47,;2.23,-6.24,;4.89,-6.24,;6.23,-5.47,;6.23,-3.93,;4.89,-3.16,;4.89,-1.62,)| | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550338
(4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-...)Show SMILES CC(C)c1ncnc(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,(1.8,-5.01,;.26,-5.01,;1.35,-3.92,;-1.07,-5.78,;-1.07,-7.32,;-2.4,-8.08,;-3.74,-7.32,;-3.74,-5.78,;-5.07,-5.01,;-6.41,-5.78,;-6.41,-4.24,;-2.4,-5.01,;-2.4,-3.47,;-1.07,-2.7,;.26,-3.47,;1.6,-2.7,;1.6,-1.16,;2.93,-.39,;.26,-.39,;-1.07,-1.16,;-2.4,-.39,;-3.74,-1.16,;-3.74,-2.7,;-5.07,-3.47,;-2.4,1.15,;-1.07,1.92,;-1.07,3.46,;.26,4.23,;-2.4,4.23,;-3.74,3.46,;-3.74,1.92,;-5.07,1.15,;-2.4,5.77,;-1.07,6.54,;-3.74,6.54,;-3.74,8.08,;3.74,-3.93,;3.74,-5.47,;2.4,-6.24,;5.07,-6.24,;6.41,-5.47,;6.41,-3.93,;5.07,-3.16,;5.07,-1.62,)| | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 136 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM544164
(1-(4,6- Diisopropylpyrimidin- 5-yl)-4-[(2S,5R)- 2,...)Show SMILES CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:30.34,wD:26.29,(-3.41,-4.94,;-1.93,-5.33,;-2.69,-6.67,;-.38,-5.33,;.38,-6.67,;1.93,-6.67,;2.69,-5.33,;1.93,-4,;2.69,-2.67,;4.23,-2.67,;3.09,-1.18,;.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,,;5.01,-1.33,;6.55,-1.33,;7.31,,;6.55,1.33,;5.01,1.33,;4.24,2.67,)| | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550353
(4-(4-Acryloyl-cis-3,5-dimethylpiperazin-1-yl)-1-(4...)Show SMILES CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1c(O)cccc1F |r,wD:29.32,26.29,(2.21,-5.01,;.67,-5.01,;1.76,-3.92,;-.67,-5.78,;-.67,-7.32,;-2,-8.08,;-3.33,-7.32,;-3.33,-5.78,;-4.67,-5.01,;-6,-5.78,;-6,-4.24,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;3.33,-.39,;.67,-.39,;-.67,-1.16,;-2,-.39,;-3.33,-1.16,;-3.33,-2.7,;-4.67,-3.47,;-2,1.15,;-3.33,1.92,;-3.33,3.46,;-4.67,4.23,;-2,4.23,;-.67,3.46,;.67,4.23,;-.67,1.92,;-2,5.77,;-.67,6.54,;-3.33,6.54,;-3.33,8.08,;3.33,-3.47,;3.33,-5.01,;2,-5.78,;4.67,-5.78,;6,-5.01,;6,-3.47,;4.67,-2.7,;4.67,-1.16,)| | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 173 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550334
(4-((2S,5R,M)-4-Acryloyl-2,5-dimethylpiperazin-1-yl...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:28.32,wD:24.27,(-5.82,-7.11,;-5.05,-5.78,;-5.82,-4.44,;-3.51,-5.78,;-3.51,-7.31,;-2.18,-8.08,;-.85,-7.31,;-.85,-5.78,;.49,-5,;-2.18,-5,;-2.18,-3.47,;-.85,-2.69,;.49,-3.47,;1.82,-2.69,;1.82,-1.15,;3.16,-.38,;.49,-.38,;-.85,-1.15,;-2.18,-.38,;-3.51,-1.15,;-3.51,-2.69,;-4.85,-3.47,;-2.18,1.15,;-.85,1.93,;-.85,3.47,;.49,4.23,;-2.18,4.23,;-3.51,3.47,;-3.51,1.93,;-4.85,1.15,;-2.18,5.78,;-3.51,6.54,;-.85,6.54,;-.85,8.08,;3.16,-3.47,;3.16,-5,;4.49,-5.78,;5.82,-5,;5.82,-3.47,;4.49,-2.69,;4.49,-1.15,)| | PDB
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GoogleScholar
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 206 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550342
(4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-...)Show SMILES CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(F)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,(1.8,-5.01,;.26,-5.01,;1.35,-3.92,;-1.07,-5.78,;-1.07,-7.32,;-2.4,-8.08,;-3.74,-7.32,;-3.74,-5.78,;-5.07,-5.01,;-6.41,-5.78,;-6.41,-4.24,;-2.4,-5.01,;-2.4,-3.47,;-1.07,-2.7,;.26,-3.47,;1.6,-2.7,;1.6,-1.16,;2.93,-.39,;.26,-.39,;-1.07,-1.16,;-2.4,-.39,;-3.74,-1.16,;-3.74,-2.7,;-5.07,-3.47,;-2.4,1.15,;-1.07,1.92,;-1.07,3.46,;.26,4.23,;-2.4,4.23,;-3.74,3.46,;-3.74,1.92,;-5.07,1.15,;-2.4,5.77,;-1.07,6.54,;-3.74,6.54,;-3.74,8.08,;3.74,-3.93,;3.74,-5.47,;2.4,-6.24,;5.07,-6.24,;6.41,-5.47,;6.41,-3.93,;5.07,-3.16,;5.07,-1.62,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 214 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550354
(4-(4-Acryloyl-cis-3,5-dimethylpiperazin-1-yl)-7-(2...)Show SMILES CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1c(N)cccc1F |r,wD:29.32,26.29,(2.21,-5.01,;.67,-5.01,;1.76,-3.92,;-.67,-5.78,;-.67,-7.32,;-2,-8.08,;-3.33,-7.32,;-3.33,-5.78,;-4.67,-5.01,;-6,-5.78,;-6,-4.24,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;3.33,-.39,;.67,-.39,;-.67,-1.16,;-2,-.39,;-3.33,-1.16,;-3.33,-2.7,;-4.67,-3.47,;-2,1.15,;-3.33,1.92,;-3.33,3.46,;-4.67,4.23,;-2,4.23,;-.67,3.46,;.67,4.23,;-.67,1.92,;-2,5.77,;-.67,6.54,;-3.33,6.54,;-3.33,8.08,;3.33,-3.47,;3.33,-5.01,;2,-5.78,;4.67,-5.78,;6,-5.01,;6,-3.47,;4.67,-2.7,;4.67,-1.16,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 396 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550346
((M)-4-(4-Acryloyl-cis-3,5-dimethylpiperazin-1-yl)-...)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1ccccc1F |r,wD:27.30,24.27,(-6.23,-7.11,;-5.46,-5.78,;-6.23,-4.44,;-3.92,-5.78,;-3.92,-7.32,;-2.58,-8.08,;-1.25,-7.32,;-1.25,-5.78,;.08,-5.01,;-2.58,-5.01,;-2.58,-3.47,;-1.25,-2.7,;.08,-3.47,;1.42,-2.7,;1.42,-1.16,;2.75,-.39,;.08,-.39,;-1.25,-1.16,;-2.58,-.39,;-3.92,-1.16,;-3.92,-2.7,;-5.25,-3.47,;-2.58,1.15,;-3.92,1.92,;-3.92,3.46,;-5.25,4.23,;-2.58,4.23,;-1.25,3.46,;.08,4.23,;-1.25,1.92,;-2.58,5.77,;-3.92,6.54,;-1.25,6.54,;-1.25,8.08,;3.56,-3.93,;3.56,-5.47,;4.89,-6.24,;6.23,-5.47,;6.23,-3.93,;4.89,-3.16,;4.89,-1.62,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 512 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-169,G12D]
() | BDBM550352
(4-(4-Acryloyl-cis-3,5-dimethylpiperazin-1-yl)-1-(4...)Show SMILES CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1ccccc1F |r,wD:29.32,26.29,(2,-5.78,;.67,-5.01,;2.15,-4.61,;-.67,-5.78,;-.67,-7.32,;-2,-8.08,;-3.33,-7.32,;-3.33,-5.78,;-4.67,-5.01,;-6,-5.78,;-6,-4.24,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;3.33,-.39,;.67,-.39,;-.67,-1.16,;-2,-.39,;-3.33,-1.16,;-3.33,-2.7,;-4.67,-3.47,;-2,1.15,;-3.33,1.92,;-3.33,3.46,;-4.67,4.23,;-2,4.23,;-.67,3.46,;.67,4.23,;-.67,1.92,;-2,5.77,;-.67,6.54,;-3.33,6.54,;-3.33,8.08,;3.33,-3.47,;3.33,-5.01,;4.67,-5.78,;6,-5.01,;6,-3.47,;4.67,-2.7,;4.67,-1.16,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CR5XJV |
More data for this
Ligand-Target Pair | |
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