Found 1115 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 [G12C]
(Homo sapiens (Human)) | BDBM535466
(US11236068, Example 63a | US11236068, Example 63b)Show SMILES C[C@H]1CN(CCN1c1nc(OC[C@@H]2CCCN2C)nc2c(F)c(c(Cl)cc12)-c1nc(N)cc2ccccc12)C(=O)C=C |r,wD:1.0,12.12,(3.46,12.29,;2.12,13.06,;2.12,14.6,;.79,15.37,;-.54,14.6,;-.54,13.06,;.79,12.29,;.79,10.75,;2.12,9.98,;2.12,8.44,;3.46,7.67,;4.79,8.44,;6.12,7.67,;7.53,8.3,;8.56,7.15,;7.79,5.82,;6.29,6.14,;5.14,5.11,;.79,7.67,;-.54,8.44,;-1.88,7.67,;-1.88,6.13,;-3.21,8.44,;-3.21,9.98,;-4.54,10.75,;-1.88,10.75,;-.54,9.98,;-4.54,7.67,;-5.88,8.44,;-7.21,7.67,;-8.55,8.44,;-7.21,6.13,;-5.88,5.36,;-5.88,3.82,;-4.54,3.05,;-3.21,3.82,;-3.21,5.36,;-4.54,6.13,;.79,16.91,;-.54,17.68,;2.12,17.68,;2.12,19.22,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
To determine the potency of compounds for inhibiting nucleotide exchange, various concentrations were incubated with K-Ras G12C (25 nM in reaction, 1... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2SN0D5H |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM609011
(US11702409, Example 80a | US11702409, Example 80b)Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)OC(C)(C)C)-c1ccc2nn(CCOS(C)(=O)=O)cc2c1)-c1c(Cl)c(C)cc2n(ncc12)C1CCCCO1 |(-8.56,21.58,;-7.07,21.98,;-5.82,21.07,;-4.58,21.98,;-5.05,23.44,;-6.59,23.44,;-7.36,24.77,;-6.96,26.26,;-8.45,26.66,;-8.85,25.17,;-8.05,28.15,;-9.54,28.55,;-9.94,27.06,;-10.63,29.64,;-10.23,31.12,;-12.12,29.24,;-13.21,30.33,;-14.69,29.93,;-12.81,31.81,;-11.72,30.72,;-3.09,21.58,;-2,22.67,;-.51,22.27,;-.11,20.78,;1.26,20.08,;1.02,18.56,;2.11,17.47,;1.71,15.98,;2.8,14.89,;2.4,13.41,;3.89,13.01,;2,11.92,;.91,13.81,;-.5,18.32,;-1.2,19.69,;-2.69,20.09,;-5.82,19.53,;-7.16,18.76,;-8.49,19.53,;-7.16,17.22,;-8.49,16.45,;-5.82,16.45,;-4.49,17.22,;-3.02,16.74,;-2.12,17.99,;-3.02,19.24,;-4.49,18.76,;-2.55,15.28,;-3.58,14.14,;-3.1,12.67,;-1.6,12.35,;-.57,13.5,;-1.04,14.96,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 8 | 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)) | BDBM535155
(US11236068, Example 18a | US11236068, Example 18b)Show SMILES C[C@H]1CN(CCN1c1nc(OC[C@@H]2CCCN2C)nc2c(F)c(c(Cl)cc12)-c1nc(N)cc(C)c1C(F)(F)F)C(=O)\C=C\CF |r,wD:1.0,12.12,(3.48,1.54,;2.15,2.31,;2.15,3.85,;.82,4.62,;-.52,3.85,;-.52,2.31,;.82,1.54,;.82,,;2.15,-.77,;2.15,-2.31,;3.48,-3.08,;4.82,-2.31,;6.15,-3.08,;7.61,-2.6,;8.52,-3.85,;7.61,-5.1,;6.15,-4.62,;4.82,-5.39,;.82,-3.08,;-.52,-2.31,;-1.85,-3.08,;-1.85,-4.62,;-3.19,-2.31,;-3.19,-.77,;-4.52,,;-1.85,,;-.52,-.77,;-4.52,-3.08,;-5.85,-2.31,;-7.19,-3.08,;-8.52,-2.31,;-7.19,-4.62,;-5.85,-5.39,;-5.85,-6.93,;-4.47,-4.65,;-3.14,-5.42,;-1.8,-6.19,;-2.37,-4.08,;-3.91,-6.75,;.82,6.16,;-.52,6.93,;2.15,6.93,;3.48,6.16,;4.82,6.93,;6.15,6.16,)| | 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
To determine the potency of compounds for inhibiting nucleotide exchange, various concentrations were incubated with K-Ras G12C (25 nM in reaction, 1... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2SN0D5H |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM50579992
(CHEMBL5080264 | US11702409, Example 69b)Show SMILES COCCn1cc2cc(ccc2n1)-c1nn(C2CC3(C2)CN(C3)C(=O)C=C)c(C)c1-c1c(Cl)c(C)cc2[nH]nc(N)c12 |(88.07,-36.3,;87.02,-35.17,;87.48,-33.7,;86.43,-32.57,;84.93,-32.91,;83.77,-31.89,;82.45,-32.68,;80.99,-32.22,;79.85,-33.25,;80.17,-34.76,;81.64,-35.23,;82.79,-34.19,;84.32,-34.33,;78.39,-32.78,;77.91,-31.32,;76.37,-31.32,;75.47,-30.08,;75.7,-28.56,;74.18,-28.32,;73.95,-29.84,;74.58,-26.83,;73.08,-26.43,;72.69,-27.92,;72.31,-25.1,;73.08,-23.76,;70.77,-25.1,;70,-23.77,;75.9,-32.79,;74.43,-33.27,;77.14,-33.69,;77.16,-35.23,;75.83,-36,;74.5,-35.23,;75.83,-37.54,;74.5,-38.31,;77.16,-38.32,;78.5,-37.54,;79.96,-38.01,;80.87,-36.76,;79.96,-35.52,;79.56,-34.03,;78.5,-35.99,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 9 | 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)) | BDBM591698
(Synthesis of (2R)-2-(((1-(4-(dimethylamino)-4-meth...)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](C[C@H]3CN(CCO3)c3ccc1c2c3)NC(=O)[C@@H](COC1CN(C1)C(=O)C#CC(C)(C)N(C)C)C(C)C)-c1cccnc1C(C)OC |r,wU:38.42,21.39,wD:13.18,23.29,(-9.59,-7.34,;-10.36,-6.01,;-9.59,-4.68,;-10.49,-3.43,;-9.59,-2.18,;-9.59,-.64,;-8.26,.13,;-7.49,-1.21,;-6.72,.13,;-8.11,1.95,;-6.78,2.72,;-6.78,4.26,;-8.11,5.03,;-5.44,5.03,;-5.44,6.57,;-4.11,7.34,;-2.78,6.57,;-2.78,5.03,;-4.11,4.26,;-1.44,4.26,;-.11,5.03,;-1.44,2.72,;-2.78,1.95,;-2.78,.41,;-4.11,-.36,;-4.11,-1.9,;-2.78,-2.67,;-1.44,-1.9,;-1.44,-.36,;-5.46,-2.66,;-5.46,-4.2,;-6.79,-4.97,;-8.12,-4.2,;-8.12,-2.66,;-6.79,-1.89,;-.11,1.95,;1.22,2.72,;1.22,4.26,;2.56,1.95,;3.89,2.72,;5.23,1.95,;6.56,2.72,;8.05,2.33,;8.45,3.81,;6.96,4.21,;9.78,4.58,;9.78,6.12,;11.11,3.81,;12.45,3.04,;13.78,2.27,;15.11,3.04,;13.78,3.81,;13.78,.73,;15.11,-.04,;12.45,-.04,;2.56,.41,;3.89,-.36,;1.22,-.36,;-12.03,-3.43,;-12.8,-4.76,;-14.34,-4.76,;-15.11,-3.43,;-14.34,-2.1,;-12.8,-2.1,;-12.03,-.76,;-10.49,-.76,;-12.8,.57,;-11.81,1.75,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591700
(US11566007, Example A379)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)CN1CC(C1)N(C)C(=O)C#CC(C)(C)N1CCC1)-c1cccnc1[C@H](C)OC |r,wU:67.75,21.38,37.45,wD:13.18,(-11.2,-7.4,;-11.97,-6.07,;-11.2,-4.73,;-12.1,-3.49,;-11.2,-2.24,;-11.2,-.7,;-9.87,.07,;-8.53,-.7,;-8.53,.84,;-9.72,1.9,;-8.39,2.67,;-8.39,4.21,;-9.72,4.98,;-7.05,4.98,;-7.05,6.52,;-5.72,7.29,;-4.39,6.52,;-4.39,4.98,;-5.72,4.21,;-3.05,4.21,;-1.72,4.98,;-3.05,2.67,;-4.39,1.9,;-4.39,.36,;-5.75,-.51,;-5.72,-1.95,;-3.85,-2.52,;-3,-.94,;-7.07,-2.72,;-7.07,-4.26,;-8.4,-5.03,;-9.73,-4.26,;-9.73,-2.72,;-8.4,-1.95,;-1.72,1.9,;-.39,2.67,;-.39,4.21,;.95,1.9,;.95,.36,;2.28,-.41,;-.39,-.41,;2.28,2.67,;2.28,4.21,;3.62,1.9,;4.95,2.67,;6.44,2.27,;6.84,3.76,;5.35,4.16,;8.17,4.53,;8.17,6.07,;9.5,3.76,;9.5,2.22,;10.84,4.53,;12.17,5.3,;13.5,6.07,;12.73,7.4,;14.27,7.4,;14.84,5.3,;15.24,3.81,;16.72,4.21,;16.33,5.7,;-13.64,-3.49,;-14.41,-4.82,;-15.95,-4.82,;-16.72,-3.49,;-15.95,-2.15,;-14.41,-2.15,;-13.64,-.82,;-12.1,-.82,;-14.41,.51,;-13.64,1.85,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591701
(US11566007, Example A380)Show SMILES CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)CCOC1CN(C1)C(=O)C#CC(C)(C)N(C)C |r,wU:2.2,28.52,wD:20.26,(-12.14,2.6,;-12.91,1.27,;-12.14,-.06,;-10.6,-.06,;-12.91,-1.4,;-14.45,-1.4,;-15.22,-2.73,;-14.45,-4.07,;-12.91,-4.07,;-12.14,-2.73,;-10.6,-2.73,;-9.69,-1.49,;-9.69,.05,;-8.36,.82,;-7.02,.05,;-7.02,1.59,;-8.21,2.65,;-6.88,3.42,;-6.88,4.96,;-8.21,5.73,;-5.55,5.73,;-5.55,7.27,;-4.21,8.04,;-2.88,7.27,;-2.88,5.73,;-4.21,4.96,;-1.55,4.96,;-.21,5.73,;-1.55,3.42,;-2.88,2.65,;-2.88,1.11,;-4.25,.25,;-4.21,-1.2,;-2.34,-1.77,;-1.49,-.19,;-5.56,-1.96,;-5.56,-3.5,;-6.89,-4.27,;-8.23,-3.5,;-9.69,-3.98,;-10.09,-5.47,;-9,-6.55,;-9.4,-8.04,;-7.51,-6.16,;-7.91,-7.64,;-8.23,-1.96,;-6.89,-1.19,;-.21,2.65,;1.12,3.42,;1.12,4.96,;2.46,2.65,;3.79,3.42,;5.12,2.65,;6.46,3.42,;7.94,3.02,;8.34,4.51,;6.85,4.91,;9.68,5.28,;9.68,6.82,;11.01,4.51,;12.34,3.74,;13.68,2.97,;15.22,2.97,;14.45,4.3,;13.68,1.43,;15.01,.66,;12.34,.66,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591702
(US11566007, Example A381)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc1c2c3)NC(=O)CCO[C@H]1CCN(C1)C(=O)C#CC(C)(C)N1CCC1)-c1cccnc1[C@H](C)OC |r,wU:62.70,21.38,wD:13.18,40.44,(-9.79,-8.13,;-10.56,-6.79,;-9.79,-5.46,;-10.69,-4.21,;-9.79,-2.97,;-9.79,-1.43,;-8.46,-.66,;-7.12,-1.43,;-7.12,.11,;-8.31,1.17,;-6.98,1.94,;-6.98,3.48,;-8.31,4.25,;-5.64,4.25,;-5.64,5.79,;-4.31,6.56,;-2.98,5.79,;-2.98,4.25,;-4.31,3.48,;-1.64,3.48,;-.31,4.25,;-1.64,1.94,;-2.98,1.17,;-2.98,-.37,;-4.34,-1.23,;-4.31,-2.68,;-2.44,-3.25,;-1.59,-1.67,;-5.66,-3.44,;-5.66,-4.98,;-6.99,-5.75,;-8.32,-4.98,;-8.32,-3.44,;-6.99,-2.67,;-.31,1.17,;1.02,1.94,;1.02,3.48,;2.36,1.17,;3.69,1.94,;5.03,1.17,;6.36,1.94,;7.82,1.46,;8.73,2.71,;7.82,3.96,;6.36,3.48,;8.22,5.44,;7.13,6.53,;9.71,5.84,;11.2,6.24,;12.69,6.64,;12.29,8.13,;13.77,7.73,;13.77,5.55,;13.77,4.01,;15.31,4.01,;15.31,5.55,;-12.23,-4.21,;-13,-5.55,;-14.54,-5.55,;-15.31,-4.21,;-14.54,-2.88,;-13,-2.88,;-12.23,-1.55,;-10.69,-1.55,;-13,-.21,;-12.23,1.12,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591983
(The synthesis of (2R)-2-(((1-(4-(dimethylamino)-4-...)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](CN3CCC=C(C3)c3ccc1c2c3)NC(=O)[C@@H](COC1CN(C1)C(=O)C#CC(C)(C)N(C)C)C(C)C)-c1cccnc1[C@H](C)OC |r,wU:38.42,21.39,64.71,wD:13.18,c:27,(-9.57,-7.3,;-10.65,-6.21,;-10.26,-4.72,;-11.16,-3.48,;-10.26,-2.23,;-10.26,-.69,;-8.92,.08,;-7.43,.48,;-8.15,-1.25,;-8.78,1.91,;-7.44,2.68,;-7.44,4.22,;-8.78,4.99,;-6.11,4.99,;-6.11,6.53,;-4.78,7.3,;-3.44,6.53,;-3.44,4.99,;-4.78,4.22,;-2.11,4.22,;-.78,4.99,;-2.11,2.68,;-3.44,1.91,;-3.44,.37,;-2.11,-.4,;-2.11,-1.94,;-3.44,-2.71,;-4.79,-1.94,;-4.78,-.4,;-6.12,-2.71,;-6.12,-4.25,;-7.46,-5.02,;-8.79,-4.25,;-8.79,-2.71,;-7.46,-1.94,;-.78,1.91,;.56,2.68,;.56,4.22,;1.89,1.91,;3.23,2.68,;4.56,1.91,;5.89,2.68,;7.38,2.28,;7.78,3.77,;6.29,4.17,;9.11,4.54,;9.11,6.08,;10.45,3.77,;11.78,3,;13.11,2.23,;12.34,.89,;13.88,.89,;14.45,3,;15.78,2.23,;14.45,4.54,;1.89,.37,;3.23,-.4,;.56,-.4,;-12.7,-3.48,;-13.47,-4.81,;-15.01,-4.81,;-15.78,-3.48,;-15.01,-2.14,;-13.47,-2.14,;-12.7,-.81,;-11.16,-.81,;-13.47,.52,;-15.01,.52,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591987
(US11566007, Example A667)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)N1CCCC11CN(C1)C(=O)C=C)-c1cccnc1[C@H](C)OC |r,wU:21.38,63.71,37.45,wD:13.18,(-6.58,-7.3,;-7.67,-6.21,;-7.27,-4.72,;-8.17,-3.48,;-7.27,-2.23,;-7.27,-.69,;-5.94,.08,;-4.45,.48,;-4.85,-1.01,;-5.79,1.91,;-4.46,2.68,;-4.46,4.22,;-5.79,4.99,;-3.12,4.99,;-3.12,6.53,;-1.79,7.3,;-.46,6.53,;-.46,4.99,;-1.79,4.22,;.88,4.22,;2.21,4.99,;.88,2.68,;-.46,1.91,;-.46,.37,;-1.79,-.4,;-1.79,-1.94,;-.46,-2.71,;.74,-1.09,;-3.14,-2.71,;-3.14,-4.25,;-4.47,-5.02,;-5.8,-4.25,;-5.8,-2.71,;-4.47,-1.94,;2.21,1.91,;3.54,2.68,;3.54,4.22,;4.88,1.91,;4.88,.37,;6.21,-.4,;3.54,-.4,;6.21,2.68,;6.21,4.22,;7.55,1.91,;7.55,.37,;8.88,2.68,;8.88,4.22,;10.34,4.69,;11.25,3.45,;10.34,2.2,;9.57,.87,;10.91,.1,;11.68,1.43,;11.31,-1.39,;12.79,-1.79,;10.22,-2.48,;8.73,-2.08,;-9.71,-3.48,;-10.48,-4.81,;-12.02,-4.81,;-12.79,-3.48,;-12.02,-2.14,;-10.48,-2.14,;-9.71,-.81,;-8.17,-.81,;-10.48,.52,;-12.02,.52,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591993
(US11566007, Example A673)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(CF)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N1CC[C@]2(CCN(C2)C(=O)C#CC(C)(C)N(C)C)C1=O)-c1cccnc1[C@H](C)OC |r,wU:21.41,70.78,40.48,wD:13.18,47.67,(-9.72,-7.3,;-10.81,-6.21,;-10.41,-4.72,;-11.32,-3.48,;-10.41,-2.23,;-10.41,-.69,;-9.08,.08,;-7.59,.48,;-7.99,-1.01,;-8.93,1.91,;-7.6,2.68,;-7.6,4.22,;-8.93,4.99,;-6.27,4.99,;-6.27,6.53,;-4.93,7.3,;-3.6,6.53,;-3.6,4.99,;-4.93,4.22,;-2.27,4.22,;-.93,4.99,;-2.27,2.68,;-3.6,1.91,;-3.6,.37,;-2.27,-.4,;-2.27,-1.94,;-.93,-2.71,;.4,-1.94,;-3.6,-2.71,;-4.93,-1.94,;-4.93,-.4,;-6.28,-2.71,;-6.28,-4.25,;-7.61,-5.02,;-8.95,-4.25,;-8.95,-2.71,;-7.61,-1.94,;-.93,1.91,;.4,2.68,;.4,4.22,;1.74,1.91,;1.74,.37,;3.07,-.4,;.4,-.4,;3.07,2.68,;3.07,4.22,;4.53,4.69,;5.44,3.45,;6.34,4.69,;7.81,4.22,;7.81,2.68,;6.34,2.2,;8.9,1.59,;8.5,.1,;10.39,1.99,;11.87,2.39,;13.36,2.79,;12.96,4.27,;14.45,3.87,;14.45,1.7,;14.05,.21,;15.94,2.09,;4.53,2.2,;5.3,.87,;-12.86,-3.48,;-13.63,-4.81,;-15.17,-4.81,;-15.94,-3.48,;-15.17,-2.14,;-13.63,-2.14,;-12.86,-.81,;-11.32,-.81,;-13.63,.52,;-12.86,1.86,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM592004
(US11566007, Example A684)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)N1CCC11CN(C1)C(=O)C=C)-c1cccnc1[C@H](C)OC |r,wU:21.39,63.71,38.46,wD:13.18,(-7.45,-7.3,;-8.54,-6.21,;-8.14,-4.72,;-9.05,-3.48,;-8.14,-2.23,;-8.14,-.69,;-6.81,.08,;-5.32,.48,;-5.72,-1.01,;-6.66,1.91,;-5.33,2.68,;-5.33,4.22,;-6.66,4.99,;-3.99,4.99,;-3.99,6.53,;-2.66,7.3,;-1.33,6.53,;-1.33,4.99,;-2.66,4.22,;.01,4.22,;1.34,4.99,;.01,2.68,;-1.33,1.91,;-1.33,.37,;.01,-.4,;.01,-1.94,;-1.33,-2.71,;-2.66,-1.94,;-2.66,-.4,;-4.01,-2.71,;-4.01,-4.25,;-5.34,-5.02,;-6.68,-4.25,;-6.68,-2.71,;-5.34,-1.94,;1.34,1.91,;2.67,2.68,;2.67,4.22,;4.01,1.91,;4.01,.37,;5.34,-.4,;2.67,-.4,;5.34,2.68,;5.34,4.22,;6.68,1.91,;6.68,.37,;8.01,2.68,;8.41,4.17,;9.89,3.77,;9.5,2.28,;9.1,.79,;10.59,.39,;10.98,1.88,;11.36,-.94,;10.59,-2.27,;12.9,-.94,;13.67,.39,;-10.59,-3.48,;-11.36,-4.81,;-12.9,-4.81,;-13.67,-3.48,;-12.9,-2.14,;-11.36,-2.14,;-10.59,-.81,;-9.05,-.81,;-11.36,.52,;-10.59,1.86,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM592009
(US11566007, Example A689)Show SMILES CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(c3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N1CC[C@]2(CCN(C2)C(=O)C#CC(C)(C)N(C)C)C1=O |r,wU:28.53,2.2,51.60,wD:20.26,58.79,(-12.86,2.4,;-13.63,1.07,;-12.86,-.26,;-11.32,-.26,;-13.63,-1.6,;-15.17,-1.6,;-15.94,-2.93,;-15.17,-4.27,;-13.63,-4.27,;-12.86,-2.93,;-11.32,-2.93,;-10.41,-1.69,;-10.41,-.15,;-9.08,.62,;-7.59,1.02,;-7.99,-.46,;-8.93,2.45,;-7.6,3.22,;-7.6,4.76,;-8.93,5.53,;-6.27,5.53,;-6.27,7.07,;-4.93,7.84,;-3.6,7.07,;-3.6,5.53,;-4.93,4.76,;-2.27,4.76,;-.93,5.53,;-2.27,3.22,;-3.6,2.45,;-3.6,.91,;-2.27,.14,;-2.27,-1.4,;-3.6,-2.17,;-4.93,-1.4,;-4.93,.14,;-6.28,-2.16,;-6.28,-3.7,;-7.61,-4.47,;-8.95,-3.7,;-10.41,-4.18,;-10.81,-5.67,;-9.72,-6.75,;-8.63,-7.84,;-8.63,-5.67,;-10.81,-7.84,;-8.95,-2.16,;-7.61,-1.39,;-.93,2.45,;.4,3.22,;.4,4.76,;1.74,2.45,;1.74,.91,;3.07,.14,;.4,.14,;3.07,3.22,;3.07,4.76,;4.53,5.24,;5.44,3.99,;6.34,5.24,;7.81,4.76,;7.81,3.22,;6.34,2.75,;8.9,2.13,;8.5,.65,;10.39,2.53,;11.87,2.93,;13.36,3.33,;14.45,4.42,;12.96,4.82,;14.45,2.24,;15.94,2.64,;14.05,.75,;4.53,2.75,;5.3,1.41,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM592011
(US11566007, Example A691)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc1c2c3)NC(=O)C[C@@H]1COC2(CN(C2)C(=O)C#CC(C)(C)N(C)C)O1)-c1cccnc1[C@H](C)OC |r,wU:21.38,62.70,wD:13.18,38.42,(-8.15,-7.3,;-9.24,-6.21,;-8.84,-4.72,;-9.75,-3.48,;-8.84,-2.23,;-8.84,-.69,;-7.51,.08,;-6.02,.48,;-6.42,-1.01,;-7.37,1.91,;-6.03,2.68,;-6.03,4.22,;-7.37,4.99,;-4.7,4.99,;-4.7,6.53,;-3.36,7.3,;-2.03,6.53,;-2.03,4.99,;-3.36,4.22,;-.7,4.22,;.64,4.99,;-.7,2.68,;-2.03,1.91,;-2.03,.37,;-3.36,-.4,;-3.36,-1.94,;-1.62,-1.96,;-.7,-.4,;-4.71,-2.71,;-4.71,-4.25,;-6.05,-5.02,;-7.38,-4.25,;-7.38,-2.71,;-6.05,-1.94,;.64,1.91,;1.97,2.68,;1.97,4.22,;3.3,1.91,;4.64,2.68,;4.64,4.22,;6.1,4.69,;7.01,3.45,;8.1,2.36,;9.19,3.45,;8.1,4.54,;10.73,3.45,;11.5,4.78,;11.5,2.11,;12.27,.78,;13.04,-.55,;14.37,.22,;14.37,-1.32,;12.27,-1.89,;10.78,-2.28,;13.04,-3.22,;6.1,2.2,;-11.29,-3.48,;-12.06,-4.81,;-13.6,-4.81,;-14.37,-3.48,;-13.6,-2.14,;-12.06,-2.14,;-11.29,-.81,;-9.75,-.81,;-12.06,.52,;-11.29,1.86,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM592012
(Synthesis of (3S)-1-(4-(dimethylamino)-4-methylpen...)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3ncc(o3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CC(C)(C)N(C)C)-c1cccnc1[C@H](C)OC |r,wU:21.38,66.73,37.45,wD:13.18,45.49,(-8.73,-8.63,;-9.82,-7.54,;-9.42,-6.05,;-10.32,-4.8,;-9.42,-3.56,;-9.42,-2.02,;-8.08,-1.25,;-6.6,-.85,;-6.99,-2.34,;-7.94,.58,;-6.61,1.35,;-6.61,2.89,;-7.94,3.66,;-5.27,3.66,;-5.27,5.2,;-3.94,5.97,;-2.6,5.2,;-2.6,3.66,;-3.94,2.89,;-1.27,2.89,;.06,3.66,;-1.27,1.35,;-2.6,.58,;-2.6,-.96,;-1.55,-2.32,;-2.4,-3.7,;-3.94,-3.27,;-3.94,-1.73,;-5.29,-4.03,;-5.29,-5.57,;-6.62,-6.34,;-7.95,-5.57,;-7.95,-4.03,;-6.62,-3.26,;.06,.58,;1.4,1.35,;1.4,2.89,;2.73,.58,;2.73,-.96,;4.06,-1.73,;1.4,-1.73,;4.06,1.35,;4.06,2.89,;5.4,.58,;5.4,-.96,;6.73,1.35,;8.2,.87,;9.1,2.12,;8.2,3.37,;6.73,2.89,;8.59,4.85,;7.51,5.94,;10.08,5.25,;11.57,5.65,;13.06,6.05,;14.15,4.96,;14.54,6.45,;13.46,7.54,;12.37,8.63,;14.94,7.94,;-11.86,-4.8,;-12.63,-6.14,;-14.17,-6.14,;-14.94,-4.8,;-14.17,-3.47,;-12.63,-3.47,;-11.86,-2.14,;-10.32,-2.14,;-12.63,-.8,;-11.86,.53,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM592019
(US11566007, Example A699)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)C1(F)CCN(CC1)C(=O)C#CC(C)(C)N(C)C)-c1cccnc1[C@H](C)OC |r,wU:21.39,69.76,38.46,wD:13.18,(-9.29,-7.3,;-10.38,-6.21,;-9.98,-4.72,;-10.88,-3.48,;-9.98,-2.23,;-9.98,-.69,;-8.65,.08,;-7.16,.48,;-7.56,-1.01,;-8.5,1.91,;-7.17,2.68,;-7.17,4.22,;-8.5,4.99,;-5.83,4.99,;-5.83,6.53,;-4.5,7.3,;-3.17,6.53,;-3.17,4.99,;-4.5,4.22,;-1.83,4.22,;-.5,4.99,;-1.83,2.68,;-3.17,1.91,;-3.17,.37,;-1.83,-.4,;-1.83,-1.94,;-3.17,-2.71,;-4.5,-1.94,;-4.5,-.4,;-5.85,-2.71,;-5.85,-4.25,;-7.18,-5.02,;-8.51,-4.25,;-8.51,-2.71,;-7.18,-1.94,;-.5,1.91,;.83,2.68,;.83,4.22,;2.17,1.91,;2.17,.37,;3.5,-.4,;.83,-.4,;3.5,2.68,;3.5,4.22,;4.84,1.91,;4.84,.37,;6.17,2.68,;6.17,1.14,;7.5,1.91,;8.84,2.68,;8.84,4.22,;7.5,4.99,;6.17,4.22,;10.17,4.99,;10.17,6.53,;11.5,4.22,;12.84,3.45,;14.17,2.68,;15.5,3.45,;14.17,4.22,;14.17,1.14,;12.84,.37,;15.5,.37,;-12.42,-3.48,;-13.19,-4.81,;-14.73,-4.81,;-15.5,-3.48,;-14.73,-2.14,;-13.19,-2.14,;-12.42,-.81,;-10.88,-.81,;-13.19,.52,;-14.73,.52,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM592025
(US11566007, Example A705)Show SMILES CC[C@@H](COC1CN(C1)C(=O)C#CC(C)(C)N(C)C)C(=O)N[C@H]1Cc2nc(cs2)-c2ccc3n(CC)c(c(CC(C)(C)COC(=O)[C@@H]4CCCN(N4)C1=O)c3c2)-c1cccnc1[C@H](C)OC |r,wU:22.22,62.69,wD:2.19,46.53,(.56,-.4,;1.89,.37,;1.89,1.91,;3.23,2.68,;4.56,1.91,;5.89,2.68,;7.38,2.28,;7.78,3.77,;6.29,4.17,;9.11,4.54,;9.11,6.08,;10.45,3.77,;11.78,3,;13.11,2.23,;12.34,.89,;13.88,.89,;14.45,3,;14.45,4.54,;15.78,2.23,;.56,2.68,;.56,4.22,;-.78,1.91,;-2.11,2.68,;-3.44,1.91,;-3.44,.37,;-4.78,-.4,;-4.78,-1.94,;-3.44,-2.71,;-2.42,-1.09,;-6.12,-2.71,;-6.12,-4.25,;-7.46,-5.02,;-8.79,-4.25,;-10.26,-4.72,;-10.65,-6.21,;-9.57,-7.3,;-11.16,-3.48,;-10.26,-2.23,;-10.26,-.69,;-8.92,.08,;-7.43,.48,;-7.83,-1.01,;-8.78,1.91,;-7.44,2.68,;-7.44,4.22,;-8.78,4.99,;-6.11,4.99,;-6.11,6.53,;-4.78,7.3,;-3.44,6.53,;-3.44,4.99,;-4.78,4.22,;-2.11,4.22,;-.78,4.99,;-8.79,-2.71,;-7.46,-1.94,;-12.7,-3.48,;-13.47,-4.81,;-15.01,-4.81,;-15.78,-3.48,;-15.01,-2.14,;-13.47,-2.14,;-12.7,-.81,;-11.16,-.81,;-13.47,.52,;-12.7,1.86,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM592027
(US11566007, Example A707)Show SMILES CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3ncc(o3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CC(C)(C)N(C)C |r,wU:28.52,2.2,50.59,wD:20.26,58.63,(-11.86,1.08,;-12.63,-.26,;-11.86,-1.59,;-10.32,-1.59,;-12.63,-2.93,;-14.17,-2.93,;-14.94,-4.26,;-14.17,-5.59,;-12.63,-5.59,;-11.86,-4.26,;-10.32,-4.26,;-9.42,-3.01,;-9.42,-1.47,;-8.08,-.7,;-6.6,-.31,;-6.99,-1.79,;-7.94,1.13,;-6.61,1.9,;-6.61,3.44,;-7.94,4.21,;-5.27,4.21,;-5.27,5.75,;-3.94,6.52,;-2.6,5.75,;-2.6,4.21,;-3.94,3.44,;-1.27,3.44,;.06,4.21,;-1.27,1.9,;-2.6,1.13,;-2.6,-.41,;-1.58,-1.88,;-2.6,-3.49,;-3.94,-2.72,;-3.94,-1.18,;-5.29,-3.49,;-5.29,-5.03,;-6.62,-5.8,;-7.95,-5.03,;-9.42,-5.51,;-9.82,-6.99,;-8.73,-8.08,;-7.64,-9.17,;-7.64,-6.99,;-9.82,-9.17,;-7.95,-3.49,;-6.62,-2.72,;.06,1.13,;1.4,1.9,;1.4,3.44,;2.73,1.13,;2.73,-.41,;1.4,-1.18,;4.06,-1.18,;4.06,1.9,;4.06,3.44,;5.4,1.13,;5.4,-.41,;6.73,1.9,;8.2,1.42,;9.1,2.67,;8.2,3.91,;6.73,3.44,;8.59,5.4,;7.51,6.49,;10.08,5.8,;11.57,6.2,;13.06,6.59,;14.15,5.51,;14.54,6.99,;13.46,8.08,;14.94,8.48,;12.37,9.17,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM592031
(US11566007, Example A711)Show SMILES CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)N(C)C1CN(C1)C(=O)C=C |r,wU:28.52,2.2,50.59,wD:20.26,(-10.7,2.6,;-11.47,1.27,;-10.7,-.06,;-9.16,-.06,;-11.47,-1.4,;-13.01,-1.4,;-13.78,-2.73,;-13.01,-4.07,;-11.47,-4.07,;-10.7,-2.73,;-9.16,-2.73,;-8.26,-1.49,;-8.26,.05,;-6.92,.82,;-5.43,1.22,;-5.83,-.27,;-6.78,2.65,;-5.44,3.42,;-5.44,4.96,;-6.78,5.73,;-4.11,5.73,;-4.11,7.27,;-2.78,8.04,;-1.44,7.27,;-1.44,5.73,;-2.78,4.96,;-.11,4.96,;1.22,5.73,;-.11,3.42,;-1.44,2.65,;-1.44,1.11,;-2.78,.34,;-2.79,-1.19,;-1.44,-1.97,;-.11,.34,;-4.12,-1.96,;-4.12,-3.5,;-5.46,-4.27,;-6.79,-3.5,;-8.26,-3.98,;-8.65,-5.47,;-7.56,-6.55,;-6.08,-6.16,;-7.96,-8.04,;-6.48,-7.64,;-6.79,-1.96,;-5.46,-1.19,;1.22,2.65,;2.56,3.42,;2.56,4.96,;3.89,2.65,;3.89,1.11,;2.56,.34,;5.23,.34,;5.23,3.42,;5.23,4.96,;6.56,2.65,;6.56,1.11,;7.89,3.42,;7.89,4.96,;9.23,2.65,;9.63,1.16,;11.11,1.56,;10.71,3.05,;12.45,.79,;13.78,1.56,;12.45,-.75,;13.78,-1.52,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM592041
(US11566007, Example A721)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc1c2c3)NC(=O)[C@@H](COC1CN(C1)C(=O)C#CC(C)(C)N(C)C)C(C)C)-c1cccnc1C(C)OC |r,wU:37.41,21.38,wD:13.18,(-8.9,-7.3,;-9.99,-6.21,;-9.59,-4.72,;-10.49,-3.48,;-9.59,-2.23,;-9.59,-.69,;-8.26,.08,;-6.72,.08,;-7.49,-1.25,;-8.11,1.91,;-6.78,2.68,;-6.78,4.22,;-8.11,4.99,;-5.44,4.99,;-5.44,6.53,;-4.11,7.3,;-2.78,6.53,;-2.78,4.99,;-4.11,4.22,;-1.44,4.22,;-.11,4.99,;-1.44,2.68,;-2.78,1.91,;-2.78,.37,;-4.11,-.4,;-4.12,-1.94,;-2.79,-2.71,;-1.44,-.4,;-5.46,-2.71,;-5.46,-4.25,;-6.79,-5.02,;-8.12,-4.25,;-8.12,-2.71,;-6.79,-1.94,;-.11,1.91,;1.22,2.68,;1.22,4.22,;2.56,1.91,;3.89,2.68,;5.23,1.91,;6.56,2.68,;8.05,2.28,;8.45,3.77,;6.96,4.17,;9.78,4.54,;9.78,6.08,;11.11,3.77,;12.45,3,;13.78,2.23,;15.11,3,;13.78,3.77,;13.78,.69,;15.11,-.08,;12.45,-.08,;2.56,.37,;1.22,-.4,;3.89,-.4,;-12.03,-3.48,;-12.8,-4.81,;-14.34,-4.81,;-15.11,-3.48,;-14.34,-2.14,;-12.8,-2.14,;-12.03,-.81,;-10.49,-.81,;-12.8,.52,;-11.81,1.7,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM592046
(US11566007, Example A726)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](C[C@H]3CN(CCO3)c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@]1(F)CCC(C1)C(=O)C#CC(C)(C)N1CCC1)-c1cccnc1C(C)OC |r,wU:21.39,38.46,46.51,wD:13.18,23.29,46.50,(-8.65,-9.13,;-9.74,-8.04,;-9.34,-6.56,;-10.25,-5.31,;-9.34,-4.07,;-9.34,-2.53,;-8.01,-1.76,;-6.52,-1.36,;-6.92,-2.84,;-7.86,.07,;-6.53,.84,;-6.53,2.38,;-7.86,3.15,;-5.2,3.15,;-5.2,4.69,;-3.86,5.46,;-2.53,4.69,;-2.53,3.15,;-3.86,2.38,;-1.19,2.38,;.14,3.15,;-1.19,.84,;-2.53,.07,;-2.53,-1.47,;-3.86,-2.24,;-3.88,-3.77,;-2.54,-4.55,;-1.19,-3.78,;-1.19,-2.24,;-5.21,-4.54,;-5.21,-6.08,;-6.54,-6.85,;-7.88,-6.08,;-7.88,-4.54,;-6.54,-3.77,;.14,.07,;1.47,.84,;1.47,2.38,;2.81,.07,;2.81,-1.47,;1.47,-2.24,;4.14,-2.24,;4.14,.84,;4.14,2.38,;5.47,.07,;5.47,-1.47,;6.81,.84,;6.81,-.7,;8.27,.37,;9.18,1.61,;8.27,2.86,;6.81,2.38,;8.67,4.35,;7.58,5.44,;10.16,4.75,;11.65,5.14,;13.13,5.54,;14.22,4.45,;14.62,5.94,;13.53,7.03,;14.87,7.8,;14.1,9.13,;12.76,8.36,;-11.79,-5.31,;-12.56,-6.64,;-14.1,-6.64,;-14.87,-5.31,;-14.1,-3.98,;-12.56,-3.98,;-11.79,-2.64,;-10.25,-2.64,;-12.56,-1.31,;-11.57,-.13,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM592047
(US11566007, Example A727)Show SMILES CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(c3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CC(C)(C)N(C)C |r,wU:28.53,2.2,51.60,59.64,wD:20.26,(-12.02,1.56,;-12.79,.22,;-12.02,-1.11,;-10.48,-1.11,;-12.79,-2.44,;-14.33,-2.44,;-15.1,-3.78,;-14.33,-5.11,;-12.79,-5.11,;-12.02,-3.78,;-10.48,-3.78,;-9.58,-2.53,;-9.58,-.99,;-8.24,-.22,;-6.76,.18,;-7.15,-1.31,;-8.1,1.61,;-6.76,2.38,;-6.76,3.92,;-8.1,4.69,;-5.43,4.69,;-5.43,6.23,;-4.1,7,;-2.76,6.23,;-2.76,4.69,;-4.1,3.92,;-1.43,3.92,;-.1,4.69,;-1.43,2.38,;-2.76,1.61,;-2.76,.07,;-1.43,-.7,;-1.43,-2.24,;-2.78,-3.01,;-4.11,-2.24,;-4.1,-.7,;-5.44,-3.01,;-5.44,-4.55,;-6.78,-5.32,;-8.11,-4.55,;-9.58,-5.02,;-9.98,-6.51,;-8.89,-7.6,;-7.8,-8.69,;-7.8,-6.51,;-9.98,-8.69,;-8.11,-3.01,;-6.78,-2.24,;-.1,1.61,;1.24,2.38,;1.24,3.92,;2.57,1.61,;2.57,.07,;1.24,-.7,;3.9,-.7,;3.9,2.38,;3.9,3.92,;5.24,1.61,;5.24,.07,;6.57,2.38,;6.57,3.92,;8.04,4.39,;8.94,3.15,;8.04,1.9,;10.48,3.15,;11.25,1.81,;11.25,4.48,;12.02,5.81,;12.79,7.15,;12.79,8.69,;11.46,7.92,;14.33,7.15,;15.1,8.48,;15.1,5.81,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM592055
(Synthesis of 2-acryloyl-N-((2S)-1-(((63S,4S,Z)-11-...)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)N1CCCOC11CN(C1)C(=O)C=C)-c1cccnc1[C@H](C)OC |r,wU:21.38,64.72,37.45,wD:13.18,(-6.62,-7.3,;-7.71,-6.21,;-7.31,-4.72,;-8.22,-3.48,;-7.31,-2.23,;-7.31,-.69,;-5.98,.08,;-4.44,.08,;-5.21,-1.25,;-5.83,1.91,;-4.5,2.68,;-4.5,4.22,;-5.83,4.99,;-3.17,4.99,;-3.17,6.53,;-1.83,7.3,;-.5,6.53,;-.5,4.99,;-1.83,4.22,;.83,4.22,;2.17,4.99,;.83,2.68,;-.5,1.91,;-.5,.37,;-1.83,-.4,;-1.85,-1.94,;-.52,-2.71,;.83,-.4,;-3.18,-2.71,;-3.18,-4.25,;-4.51,-5.02,;-5.85,-4.25,;-5.85,-2.71,;-4.51,-1.94,;2.17,1.91,;3.5,2.68,;3.5,4.22,;4.84,1.91,;4.84,.37,;3.5,-.4,;6.17,-.4,;6.17,2.68,;6.17,4.22,;7.5,1.91,;7.5,.37,;8.84,2.68,;8.84,4.22,;10.17,4.99,;11.5,4.22,;11.5,2.68,;10.17,1.91,;9.08,.82,;10.17,-.27,;11.26,.82,;10.17,-1.81,;8.84,-2.58,;11.5,-2.58,;12.84,-1.81,;-9.76,-3.48,;-10.53,-4.81,;-12.07,-4.81,;-12.84,-3.48,;-12.07,-2.14,;-10.53,-2.14,;-9.76,-.81,;-8.22,-.81,;-10.53,.52,;-12.07,.52,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591410
(US11566007, Example A88)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CCN(C)C)-c1cnccc1COC |r,wU:21.40,39.47,wD:13.18,47.51,(-9.87,-7.38,;-10.64,-6.04,;-9.87,-4.71,;-10.77,-3.46,;-9.87,-2.22,;-9.87,-.68,;-8.53,.09,;-7.05,.49,;-7.45,-1,;-8.39,1.92,;-7.06,2.69,;-7.06,4.23,;-8.39,5,;-5.72,5,;-5.72,6.54,;-4.39,7.31,;-3.05,6.54,;-3.05,5,;-4.39,4.23,;-1.72,4.23,;-.39,5,;-1.72,2.69,;-3.05,1.92,;-3.05,.38,;-1.72,-.39,;-1.72,-1.93,;-.39,-2.7,;-3.05,-2.7,;-4.39,-1.93,;-4.39,-.39,;-5.74,-2.69,;-5.74,-4.23,;-7.07,-5,;-8.4,-4.23,;-8.4,-2.69,;-7.07,-1.92,;-.39,1.92,;.95,2.69,;.95,4.23,;2.28,1.92,;2.28,.38,;3.61,-.39,;.95,-.39,;3.61,2.69,;3.61,4.23,;4.95,1.92,;4.95,.38,;6.28,2.69,;7.75,2.22,;8.65,3.46,;7.75,4.71,;6.28,4.23,;8.52,6.04,;7.75,7.38,;10.06,6.04,;11.6,6.04,;13.14,6.04,;13.91,4.71,;15.39,5.11,;13.14,3.37,;-12.31,-3.46,;-13.08,-4.8,;-14.62,-4.8,;-15.39,-3.46,;-14.62,-2.13,;-13.08,-2.13,;-12.31,-.8,;-13.08,.54,;-14.62,.54,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591417
(Synthesis of (2S)-N-[(8S,14S)-22-ethyl-4-hydroxy-2...)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CCN1CCOCC1)-c1cccnc1COC |r,wU:21.40,39.47,wD:13.18,47.51,(-10.31,-7.38,;-11.08,-6.05,;-10.31,-4.72,;-11.21,-3.47,;-10.31,-2.22,;-10.31,-.68,;-8.97,.09,;-7.49,.48,;-7.88,-1,;-8.83,1.91,;-7.5,2.68,;-7.5,4.22,;-8.83,4.99,;-6.16,4.99,;-6.16,6.53,;-4.83,7.3,;-3.49,6.53,;-3.49,4.99,;-4.83,4.22,;-2.16,4.22,;-.83,4.99,;-2.16,2.68,;-3.49,1.91,;-3.49,.37,;-2.16,-.4,;-2.16,-1.94,;-.83,-2.71,;-3.49,-2.71,;-4.83,-1.94,;-4.83,-.4,;-6.18,-2.7,;-6.18,-4.24,;-7.51,-5.01,;-8.84,-4.24,;-8.84,-2.7,;-7.51,-1.93,;-.83,1.91,;.51,2.68,;.51,4.22,;1.84,1.91,;1.84,.37,;3.17,-.4,;.51,-.4,;3.17,2.68,;3.17,4.22,;4.51,1.91,;4.51,.37,;5.84,2.68,;7.31,2.21,;8.21,3.45,;7.31,4.7,;5.84,4.22,;7.7,6.19,;6.62,7.28,;9.19,6.59,;10.68,6.98,;12.17,7.38,;13.26,6.29,;12.86,4.81,;13.95,3.72,;15.43,4.12,;15.83,5.6,;14.74,6.69,;-12.75,-3.47,;-13.52,-4.8,;-15.06,-4.8,;-15.83,-3.47,;-15.06,-2.14,;-13.52,-2.14,;-12.75,-.8,;-13.52,.53,;-15.06,.53,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591418
(US11566007, Example A96)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CCN(C)C)-c1cccnc1COC |r,wU:21.40,39.47,wD:13.18,47.51,(-9.79,-7.38,;-10.56,-6.05,;-9.79,-4.72,;-10.69,-3.47,;-9.79,-2.22,;-9.79,-.68,;-8.46,.09,;-6.97,.48,;-7.37,-1,;-8.31,1.91,;-6.98,2.68,;-6.98,4.22,;-8.31,4.99,;-5.64,4.99,;-5.64,6.53,;-4.31,7.3,;-2.98,6.53,;-2.98,4.99,;-4.31,4.22,;-1.64,4.22,;-.31,4.99,;-1.64,2.68,;-2.98,1.91,;-2.98,.37,;-1.64,-.4,;-1.64,-1.94,;-.31,-2.71,;-2.98,-2.71,;-4.31,-1.94,;-4.31,-.4,;-5.66,-2.7,;-5.66,-4.24,;-6.99,-5.01,;-8.32,-4.24,;-8.32,-2.7,;-6.99,-1.93,;-.31,1.91,;1.02,2.68,;1.02,4.22,;2.36,1.91,;2.36,.37,;3.69,-.4,;1.02,-.4,;3.69,2.68,;3.69,4.22,;5.03,1.91,;5.03,.37,;6.36,2.68,;7.82,2.21,;8.73,3.45,;7.82,4.7,;6.36,4.22,;8.22,6.19,;7.13,7.28,;9.71,6.59,;11.2,6.98,;12.69,7.38,;13.77,6.29,;13.38,4.81,;15.31,6.29,;-12.23,-3.47,;-13,-4.8,;-14.54,-4.8,;-15.31,-3.47,;-14.54,-2.14,;-13,-2.14,;-12.23,-.8,;-13,.53,;-12.23,1.86,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591419
(US11566007, Example A97)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)C1CN(C1)C(=O)C#CCN(C)C)-c1cccnc1COC |r,wU:21.40,39.47,wD:13.18,(-9.59,-7.34,;-10.36,-6.01,;-9.59,-4.68,;-10.49,-3.43,;-9.59,-2.18,;-9.59,-.64,;-8.26,.13,;-6.77,.52,;-7.17,-.96,;-8.11,1.95,;-6.78,2.72,;-6.78,4.26,;-8.11,5.03,;-5.44,5.03,;-5.44,6.57,;-4.11,7.34,;-2.78,6.57,;-2.78,5.03,;-4.11,4.26,;-1.44,4.26,;-.11,5.03,;-1.44,2.72,;-2.78,1.95,;-2.78,.41,;-1.44,-.36,;-1.44,-1.9,;-.11,-2.67,;-2.78,-2.67,;-4.11,-1.9,;-4.11,-.36,;-5.46,-2.66,;-5.46,-4.2,;-6.79,-4.97,;-8.12,-4.2,;-8.12,-2.66,;-6.79,-1.89,;-.11,1.95,;1.22,2.72,;1.22,4.26,;2.56,1.95,;2.56,.41,;3.89,-.36,;1.22,-.36,;3.89,2.72,;3.89,4.26,;5.23,1.95,;5.23,.41,;6.56,2.72,;8.05,2.33,;8.45,3.81,;6.96,4.21,;9.78,4.58,;9.78,6.12,;11.11,3.81,;12.45,3.04,;13.78,2.27,;13.78,.73,;15.11,-.04,;12.45,-.04,;-12.03,-3.43,;-12.8,-4.76,;-14.34,-4.76,;-15.11,-3.43,;-14.34,-2.1,;-12.8,-2.1,;-12.03,-.76,;-12.8,.57,;-14.34,.57,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591429
(US11566007, Example A107)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CCN(C)C)-c1cnccc1COC |r,wU:21.40,39.47,wD:13.18,47.51,(-9.19,-6.78,;-9.96,-5.45,;-9.19,-4.11,;-10.1,-2.87,;-9.19,-1.62,;-9.19,-.08,;-7.86,.69,;-6.37,1.09,;-6.77,-.4,;-7.71,2.52,;-6.38,3.29,;-6.38,4.83,;-7.71,5.6,;-5.05,5.6,;-5.05,7.14,;-3.71,7.91,;-2.38,7.14,;-2.38,5.6,;-3.71,4.83,;-1.05,4.83,;.29,5.6,;-1.05,3.29,;-2.38,2.52,;-2.38,.98,;-1.05,.21,;-1.05,-1.33,;.29,-2.1,;-2.38,-2.1,;-3.71,-1.33,;-3.71,.21,;-5.06,-2.1,;-5.06,-3.64,;-6.39,-4.41,;-7.73,-3.64,;-7.73,-2.1,;-6.39,-1.33,;.29,2.52,;1.62,3.29,;1.62,4.83,;2.96,2.52,;2.96,.98,;4.29,.21,;1.62,.21,;4.29,3.29,;4.29,4.83,;5.62,2.52,;5.62,.98,;6.96,3.29,;8.42,2.81,;9.33,4.06,;8.42,5.31,;6.96,4.83,;8.82,6.79,;7.73,7.88,;10.31,7.19,;11.79,7.59,;13.28,7.99,;14.37,6.9,;13.97,5.41,;15.86,7.3,;-11.58,-3.26,;-12.94,-2.54,;-14.8,-2.79,;-15.86,-3.85,;-14.55,-4.58,;-12.7,-4.32,;-11.61,-5.41,;-12,-6.9,;-10.92,-7.99,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591430
(US11566007, Example A108)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3cc2c1cn3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CCN(C)C)-c1cncnc1 |r| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591438
(US11566007, Example A116)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)c1ncc(NC(=O)\C=C\CN(C)C)n1C)-c1ccccc1CN(C)C |r,wU:21.40,39.47,wD:13.18,(-10.73,-8.09,;-11.5,-6.75,;-10.73,-5.42,;-11.64,-4.17,;-10.73,-2.93,;-10.73,-1.39,;-9.4,-.62,;-7.91,-.22,;-8.31,-1.71,;-9.25,1.21,;-7.92,1.98,;-7.92,3.52,;-9.25,4.29,;-6.59,4.29,;-6.59,5.83,;-5.25,6.6,;-3.92,5.83,;-3.92,4.29,;-5.25,3.52,;-2.59,3.52,;-1.25,4.29,;-2.59,1.98,;-3.92,1.21,;-3.92,-.33,;-2.59,-1.1,;-2.59,-2.64,;-1.25,-3.41,;-3.92,-3.41,;-5.25,-2.64,;-5.25,-1.1,;-6.6,-3.4,;-6.6,-4.94,;-7.93,-5.71,;-9.27,-4.94,;-9.27,-3.4,;-7.93,-2.63,;-1.25,1.21,;.08,1.98,;.08,3.52,;1.42,1.21,;1.42,-.33,;2.75,-1.1,;.08,-1.1,;2.75,1.98,;2.75,3.52,;4.08,1.21,;4.08,-.33,;5.42,1.98,;5.42,3.52,;6.88,4,;7.79,2.75,;9.33,2.75,;10.1,4.09,;9.33,5.42,;11.64,4.09,;12.41,5.42,;13.95,5.42,;14.72,6.75,;13.95,8.09,;16.26,6.75,;6.88,1.51,;7.65,.17,;-13.18,-4.17,;-13.95,-5.51,;-15.49,-5.51,;-16.26,-4.17,;-15.49,-2.84,;-13.95,-2.84,;-13.18,-1.51,;-13.95,-.17,;-15.49,-.17,;-13.18,1.16,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591451
(US11566007, Example A129)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CCCN1CCOCC1)-c1cccnc1COC |r,wU:21.40,39.47,wD:13.18,47.51,(-11.43,-7.38,;-12.2,-6.04,;-11.43,-4.71,;-12.34,-3.46,;-11.43,-2.22,;-11.43,-.68,;-10.1,.09,;-8.61,.49,;-9.01,-1,;-9.96,1.92,;-8.62,2.69,;-8.62,4.23,;-9.96,5,;-7.29,5,;-7.29,6.54,;-5.95,7.31,;-4.62,6.54,;-4.62,5,;-5.95,4.23,;-3.29,4.23,;-1.95,5,;-3.29,2.69,;-4.62,1.92,;-4.62,.38,;-3.29,-.39,;-3.29,-1.93,;-1.95,-2.7,;-4.62,-2.7,;-5.95,-1.93,;-5.95,-.39,;-7.3,-2.69,;-7.3,-4.23,;-8.64,-5,;-9.97,-4.23,;-9.97,-2.69,;-8.64,-1.92,;-1.95,1.92,;-.62,2.69,;-.62,4.23,;.71,1.92,;.71,.38,;2.05,-.39,;-.62,-.39,;2.05,2.69,;2.05,4.23,;3.38,1.92,;3.38,.38,;4.71,2.69,;6.18,2.22,;7.08,3.46,;6.18,4.71,;4.71,4.23,;6.95,6.04,;6.18,7.38,;8.49,6.04,;10.03,6.04,;11.57,6.04,;12.34,4.71,;13.88,4.71,;14.65,3.37,;16.19,3.37,;16.96,4.71,;16.19,6.04,;14.65,6.04,;-13.88,-3.46,;-14.65,-4.8,;-16.19,-4.8,;-16.96,-3.46,;-16.19,-2.13,;-14.65,-2.13,;-13.88,-.8,;-14.65,.54,;-16.19,.54,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591452
(US11566007, Example A130)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(ccn3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CCN(C)C)-c1cnccc1COC |r,wU:21.39,38.46,wD:13.18,46.50,(-9.76,-7.38,;-10.53,-6.05,;-9.76,-4.72,;-10.67,-3.47,;-9.76,-2.22,;-9.76,-.68,;-8.43,.09,;-6.94,.48,;-7.34,-1,;-8.28,1.91,;-6.95,2.68,;-6.95,4.22,;-8.28,4.99,;-5.62,4.99,;-5.62,6.53,;-4.28,7.3,;-2.95,6.53,;-2.95,4.99,;-4.28,4.22,;-1.62,4.22,;-.28,4.99,;-1.62,2.68,;-2.95,1.91,;-2.95,.37,;-4.28,-.4,;-4.28,-1.94,;-2.95,-2.71,;-1.62,-1.94,;-1.62,-.4,;-5.63,-2.7,;-5.63,-4.24,;-6.96,-5.01,;-8.3,-4.24,;-8.3,-2.7,;-6.96,-1.93,;-.28,1.91,;1.05,2.68,;1.05,4.22,;2.38,1.91,;2.38,.37,;1.05,-.4,;3.72,-.4,;3.72,2.68,;3.72,4.22,;5.05,1.91,;5.05,.37,;6.39,2.68,;7.85,2.21,;8.76,3.45,;7.85,4.7,;6.39,4.22,;8.25,6.19,;7.16,7.28,;9.74,6.59,;11.22,6.98,;12.71,7.38,;13.8,6.29,;15.29,6.69,;13.4,4.81,;-12.21,-3.47,;-12.98,-4.8,;-14.52,-4.8,;-15.29,-3.47,;-14.52,-2.14,;-12.98,-2.14,;-12.21,-.8,;-12.98,.53,;-14.52,.53,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591453
(US11566007, Example A131)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CCN(C)C)-c1cccnc1[C@H](C)OC |r,wU:21.40,39.47,66.73,wD:13.18,47.51,(-9.42,-8.67,;-10.19,-7.34,;-9.42,-6,;-10.32,-4.76,;-9.42,-3.51,;-9.42,-1.97,;-8.08,-1.2,;-6.6,-.8,;-6.99,-2.29,;-7.94,.63,;-6.61,1.4,;-6.61,2.94,;-7.94,3.71,;-5.27,3.71,;-5.27,5.25,;-3.94,6.02,;-2.6,5.25,;-2.6,3.71,;-3.94,2.94,;-1.27,2.94,;.06,3.71,;-1.27,1.4,;-2.6,.63,;-2.6,-.91,;-1.27,-1.68,;-1.27,-3.22,;.06,-3.99,;-2.6,-3.99,;-3.94,-3.22,;-3.94,-1.68,;-5.29,-3.99,;-5.29,-5.53,;-6.62,-6.3,;-7.95,-5.53,;-7.95,-3.99,;-6.62,-3.22,;.06,.63,;1.4,1.4,;1.4,2.94,;2.73,.63,;2.73,-.91,;1.4,-1.68,;4.06,-1.68,;4.06,1.4,;4.06,2.94,;5.4,.63,;5.4,-.91,;6.73,1.4,;8.2,.92,;9.1,2.17,;8.2,3.41,;6.73,2.94,;8.59,4.9,;7.51,5.99,;10.08,5.3,;11.57,5.7,;13.06,6.1,;13.46,7.58,;12.37,8.67,;14.94,7.98,;-11.86,-4.76,;-12.63,-6.09,;-14.17,-6.09,;-14.94,-4.76,;-14.17,-3.42,;-12.63,-3.42,;-11.86,-2.09,;-10.32,-2.09,;-12.63,-.76,;-11.86,.58,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591462
(US11566007, Example A140)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CCN(C)C)-c1cnccc1[C@H](C)OC |r,wU:21.39,38.46,65.72,wD:13.18,46.50,(-9.42,-8.67,;-10.19,-7.34,;-9.42,-6,;-10.32,-4.76,;-9.42,-3.51,;-9.42,-1.97,;-8.08,-1.2,;-6.6,-.8,;-6.99,-2.29,;-7.94,.63,;-6.61,1.4,;-6.61,2.94,;-7.94,3.71,;-5.27,3.71,;-5.27,5.25,;-3.94,6.02,;-2.6,5.25,;-2.6,3.71,;-3.94,2.94,;-1.27,2.94,;.06,3.71,;-1.27,1.4,;-2.6,.63,;-2.6,-.91,;-1.27,-1.68,;-1.27,-3.22,;-2.6,-3.99,;-3.94,-3.22,;-3.94,-1.68,;-5.29,-3.99,;-5.29,-5.53,;-6.62,-6.3,;-7.95,-5.53,;-7.95,-3.99,;-6.62,-3.22,;.06,.63,;1.4,1.4,;1.4,2.94,;2.73,.63,;2.73,-.91,;1.4,-1.68,;4.06,-1.68,;4.06,1.4,;4.06,2.94,;5.4,.63,;5.4,-.91,;6.73,1.4,;8.2,.92,;9.1,2.17,;8.2,3.41,;6.73,2.94,;8.59,4.9,;7.51,5.99,;10.08,5.3,;11.57,5.7,;13.06,6.1,;13.46,7.58,;14.94,7.98,;12.37,8.67,;-11.86,-4.76,;-12.63,-6.09,;-14.17,-6.09,;-14.94,-4.76,;-14.17,-3.42,;-12.63,-3.42,;-11.86,-2.09,;-10.32,-2.09,;-12.63,-.76,;-14.17,-.76,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591463
(US11566007, Example A141)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CCN(C)C)-c1cnccc1C(C)C |r,wU:21.40,39.47,wD:13.18,47.51,(-9.42,-8.67,;-10.19,-7.34,;-9.42,-6,;-10.32,-4.76,;-9.42,-3.51,;-9.42,-1.97,;-8.08,-1.2,;-6.6,-.8,;-6.99,-2.29,;-7.94,.63,;-6.61,1.4,;-6.61,2.94,;-7.94,3.71,;-5.27,3.71,;-5.27,5.25,;-3.94,6.02,;-2.6,5.25,;-2.6,3.71,;-3.94,2.94,;-1.27,2.94,;.06,3.71,;-1.27,1.4,;-2.6,.63,;-2.6,-.91,;-1.27,-1.68,;-1.27,-3.22,;.06,-3.99,;-2.6,-3.99,;-3.94,-3.22,;-3.94,-1.68,;-5.29,-3.99,;-5.29,-5.53,;-6.62,-6.3,;-7.95,-5.53,;-7.95,-3.99,;-6.62,-3.22,;.06,.63,;1.4,1.4,;1.4,2.94,;2.73,.63,;2.73,-.91,;1.4,-1.68,;4.06,-1.68,;4.06,1.4,;4.06,2.94,;5.4,.63,;5.4,-.91,;6.73,1.4,;8.2,.92,;9.1,2.17,;8.2,3.41,;6.73,2.94,;8.59,4.9,;7.51,5.99,;10.08,5.3,;11.57,5.7,;13.06,6.1,;13.46,7.58,;14.94,7.98,;12.37,8.67,;-11.86,-4.76,;-12.63,-6.09,;-14.17,-6.09,;-14.94,-4.76,;-14.17,-3.42,;-12.63,-3.42,;-11.86,-2.09,;-12.63,-.76,;-10.32,-2.09,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591479
(US11566007, Example A157)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(C)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CCN(C)C)-c1cccnc1COC |r,wU:21.40,39.47,wD:13.18,47.51,(-9.76,-7.38,;-10.53,-6.05,;-9.76,-4.71,;-10.67,-3.47,;-9.76,-2.22,;-9.76,-.68,;-8.43,.09,;-6.94,.49,;-7.34,-1,;-8.28,1.92,;-6.95,2.69,;-6.95,4.23,;-8.28,5,;-5.62,5,;-5.62,6.54,;-4.28,7.31,;-2.95,6.54,;-2.95,5,;-4.28,4.23,;-1.62,4.23,;-.28,5,;-1.62,2.69,;-2.95,1.92,;-2.95,.38,;-1.62,-.39,;-1.62,-1.93,;-.28,-2.7,;-2.95,-2.7,;-4.28,-1.93,;-4.28,-.39,;-5.63,-2.7,;-5.63,-4.24,;-6.96,-5.01,;-8.3,-4.24,;-8.3,-2.7,;-6.96,-1.93,;-.28,1.92,;1.05,2.69,;1.05,4.23,;2.38,1.92,;2.38,.38,;1.05,-.39,;3.72,-.39,;3.72,2.69,;3.72,4.23,;5.05,1.92,;5.05,.38,;6.39,2.69,;7.85,2.21,;8.76,3.46,;7.85,4.7,;6.39,4.23,;8.25,6.19,;7.16,7.28,;9.74,6.59,;11.22,6.99,;12.71,7.38,;13.8,6.29,;15.29,6.69,;13.4,4.8,;-12.21,-3.47,;-12.98,-4.8,;-14.52,-4.8,;-15.29,-3.47,;-14.52,-2.13,;-12.98,-2.13,;-12.21,-.8,;-12.98,.53,;-12.21,1.87,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591484
(US11566007, Example A162)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]1CCN(C1)C(=O)C#CC(C)(C)N(C)C)-c1cccnc1COC |r,wU:21.40,39.47,wD:13.18,47.51,(-11.46,-6.95,;-9.98,-6.55,;-9.58,-5.07,;-10.48,-3.82,;-9.58,-2.58,;-9.58,-1.04,;-8.24,-.27,;-6.76,.13,;-7.15,-1.35,;-8.1,1.56,;-6.76,2.33,;-6.76,3.87,;-8.1,4.64,;-5.43,4.64,;-5.43,6.18,;-4.1,6.95,;-2.76,6.18,;-2.76,4.64,;-4.1,3.87,;-1.43,3.87,;-.1,4.64,;-1.43,2.33,;-2.76,1.56,;-2.76,.02,;-1.43,-.75,;-1.43,-2.29,;-.1,-3.06,;-2.76,-3.06,;-4.1,-2.29,;-4.1,-.75,;-5.44,-3.05,;-5.44,-4.59,;-6.78,-5.36,;-8.11,-4.59,;-8.11,-3.05,;-6.78,-2.28,;-.1,1.56,;1.24,2.33,;1.24,3.87,;2.57,1.56,;2.57,.02,;1.24,-.75,;3.9,-.75,;3.9,2.33,;3.9,3.87,;5.24,1.56,;5.24,.02,;6.57,2.33,;6.57,3.87,;8.04,4.35,;8.94,3.1,;8.04,1.86,;10.48,3.1,;11.25,4.44,;11.25,1.77,;12.02,.44,;12.79,-.9,;12.02,-2.23,;11.3,-1.3,;14.33,-.9,;15.1,.44,;15.1,-2.23,;-12.02,-3.82,;-12.79,-5.15,;-14.33,-5.15,;-15.1,-3.82,;-14.33,-2.49,;-12.79,-2.49,;-12.02,-1.15,;-12.79,.18,;-14.33,.18,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591497
(US11566007, Example A175)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1C[C@@H](C)N(C1)C(=O)C#CCN(C)C)-c1cccnc1COC |r,wU:21.40,39.47,47.51,49.54,wD:13.18,(-11.01,-6.95,;-9.53,-6.55,;-9.13,-5.07,;-10.03,-3.82,;-9.13,-2.58,;-9.13,-1.04,;-7.79,-.27,;-6.31,.13,;-6.7,-1.35,;-7.65,1.56,;-6.31,2.33,;-6.31,3.87,;-7.65,4.64,;-4.98,4.64,;-4.98,6.18,;-3.65,6.95,;-2.31,6.18,;-2.31,4.64,;-3.65,3.87,;-.98,3.87,;.35,4.64,;-.98,2.33,;-2.31,1.56,;-2.31,.02,;-.98,-.75,;-.98,-2.29,;.35,-3.06,;-2.31,-3.06,;-3.65,-2.29,;-3.65,-.75,;-4.99,-3.05,;-4.99,-4.59,;-6.33,-5.36,;-7.66,-4.59,;-7.66,-3.05,;-6.33,-2.28,;.35,1.56,;1.69,2.33,;1.69,3.87,;3.02,1.56,;3.02,.02,;1.69,-.75,;4.35,-.75,;4.35,2.33,;4.35,3.87,;5.69,1.56,;5.69,.02,;7.02,2.33,;7.02,3.87,;8.49,4.35,;9.26,5.68,;9.39,3.1,;8.49,1.86,;10.88,2.7,;11.97,3.79,;11.28,1.22,;11.68,-.27,;12.08,-1.76,;13.56,-2.16,;13.96,-3.64,;14.65,-1.07,;-11.57,-3.82,;-12.34,-5.15,;-13.88,-5.15,;-14.65,-3.82,;-13.88,-2.49,;-12.34,-2.49,;-11.57,-1.15,;-12.34,.18,;-13.88,.18,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591498
(US11566007, Example A176)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CCN1CCOCC1)-c1cncnc1 |r| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591566
(US11566007, Example A244)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CCN1[C@@H](C)COC[C@@H]1C)-c1cccnc1[C@H](C)OC |r,wU:21.40,39.47,47.51,71.79,58.64,wD:13.18,63.70,(-12.62,-6.95,;-11.13,-6.55,;-10.73,-5.07,;-11.64,-3.82,;-10.73,-2.58,;-10.73,-1.04,;-9.4,-.27,;-7.91,.13,;-8.31,-1.35,;-9.25,1.56,;-7.92,2.33,;-7.92,3.87,;-9.25,4.64,;-6.59,4.64,;-6.59,6.18,;-5.25,6.95,;-3.92,6.18,;-3.92,4.64,;-5.25,3.87,;-2.59,3.87,;-1.25,4.64,;-2.59,2.33,;-3.92,1.56,;-3.92,.02,;-2.59,-.75,;-2.59,-2.29,;-1.25,-3.06,;-3.92,-3.06,;-5.25,-2.29,;-5.25,-.75,;-6.6,-3.05,;-6.6,-4.59,;-7.93,-5.36,;-9.27,-4.59,;-9.27,-3.05,;-7.93,-2.28,;-1.25,1.56,;.08,2.33,;.08,3.87,;1.42,1.56,;1.42,.02,;2.75,-.75,;.08,-.75,;2.75,2.33,;2.75,3.87,;4.08,1.56,;4.08,.02,;5.42,2.33,;5.42,3.87,;6.88,4.35,;7.79,3.1,;6.88,1.86,;9.33,3.1,;10.1,4.44,;10.1,1.77,;10.87,.44,;11.64,-.9,;13.18,-.9,;13.95,.44,;13.18,1.77,;15.49,.44,;16.26,-.9,;15.49,-2.23,;13.95,-2.23,;13.18,-3.57,;-13.18,-3.82,;-13.95,-5.15,;-15.49,-5.15,;-16.26,-3.82,;-15.49,-2.49,;-13.95,-2.49,;-13.18,-1.15,;-11.64,-1.15,;-13.95,.18,;-15.49,.18,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591567
(US11566007, Example A245)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CCN1[C@@H](C)COC[C@H]1C)-c1cccnc1[C@H](C)OC |r,wU:21.40,39.47,47.51,71.79,58.64,63.70,wD:13.18,(-12.62,-6.95,;-11.13,-6.55,;-10.73,-5.07,;-11.64,-3.82,;-10.73,-2.58,;-10.73,-1.04,;-9.4,-.27,;-7.91,.13,;-8.31,-1.35,;-9.25,1.56,;-7.92,2.33,;-7.92,3.87,;-9.25,4.64,;-6.59,4.64,;-6.59,6.18,;-5.25,6.95,;-3.92,6.18,;-3.92,4.64,;-5.25,3.87,;-2.59,3.87,;-1.25,4.64,;-2.59,2.33,;-3.92,1.56,;-3.92,.02,;-2.59,-.75,;-2.59,-2.29,;-1.25,-3.06,;-3.92,-3.06,;-5.25,-2.29,;-5.25,-.75,;-6.6,-3.05,;-6.6,-4.59,;-7.93,-5.36,;-9.27,-4.59,;-9.27,-3.05,;-7.93,-2.28,;-1.25,1.56,;.08,2.33,;.08,3.87,;1.42,1.56,;1.42,.02,;2.75,-.75,;.08,-.75,;2.75,2.33,;2.75,3.87,;4.08,1.56,;4.08,.02,;5.42,2.33,;5.42,3.87,;6.88,4.35,;7.79,3.1,;6.88,1.86,;9.33,3.1,;10.1,4.44,;10.1,1.77,;10.87,.44,;11.64,-.9,;13.18,-.9,;13.95,.44,;13.18,1.77,;15.49,.44,;16.26,-.9,;15.49,-2.23,;13.95,-2.23,;13.18,-3.57,;-13.18,-3.82,;-13.95,-5.15,;-15.49,-5.15,;-16.26,-3.82,;-15.49,-2.49,;-13.95,-2.49,;-13.18,-1.15,;-11.64,-1.15,;-13.95,.18,;-15.49,.18,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591568
(US11566007, Example A246)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CC1(COC1)N(C)C)-c1cccnc1[C@H](C)OC |r,wU:21.40,39.47,47.51,69.77,wD:13.18,(-11.46,-6.95,;-9.98,-6.55,;-9.58,-5.07,;-10.48,-3.82,;-9.58,-2.58,;-9.58,-1.04,;-8.24,-.27,;-6.76,.13,;-7.15,-1.35,;-8.1,1.56,;-6.76,2.33,;-6.76,3.87,;-8.1,4.64,;-5.43,4.64,;-5.43,6.18,;-4.1,6.95,;-2.76,6.18,;-2.76,4.64,;-4.1,3.87,;-1.43,3.87,;-.1,4.64,;-1.43,2.33,;-2.76,1.56,;-2.76,.02,;-1.43,-.75,;-1.43,-2.29,;-.1,-3.06,;-2.76,-3.06,;-4.1,-2.29,;-4.1,-.75,;-5.44,-3.05,;-5.44,-4.59,;-6.78,-5.36,;-8.11,-4.59,;-8.11,-3.05,;-6.78,-2.28,;-.1,1.56,;1.24,2.33,;1.24,3.87,;2.57,1.56,;2.57,.02,;3.9,-.75,;1.24,-.75,;3.9,2.33,;3.9,3.87,;5.24,1.56,;5.24,.02,;6.57,2.33,;6.57,3.87,;8.04,4.35,;8.94,3.1,;8.04,1.86,;10.48,3.1,;11.25,4.44,;11.25,1.77,;12.02,.44,;12.79,-.9,;11.3,-1.3,;11.7,-2.78,;13.19,-2.39,;14.33,-.9,;15.1,-2.23,;15.1,.44,;-12.02,-3.82,;-12.79,-5.15,;-14.33,-5.15,;-15.1,-3.82,;-14.33,-2.49,;-12.79,-2.49,;-12.02,-1.15,;-10.48,-1.15,;-12.79,.18,;-14.33,.18,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591569
(US11566007, Example A247)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#C[C@@H]1CCCN1C)-c1cccnc1[C@H](C)OC |r,wU:21.40,39.47,47.51,68.76,56.61,wD:13.18,(-11.46,-6.95,;-9.98,-6.55,;-9.58,-5.07,;-10.48,-3.82,;-9.58,-2.58,;-9.58,-1.04,;-8.24,-.27,;-6.76,.13,;-7.15,-1.35,;-8.1,1.56,;-6.76,2.33,;-6.76,3.87,;-8.1,4.64,;-5.43,4.64,;-5.43,6.18,;-4.1,6.95,;-2.76,6.18,;-2.76,4.64,;-4.1,3.87,;-1.43,3.87,;-.1,4.64,;-1.43,2.33,;-2.76,1.56,;-2.76,.02,;-1.43,-.75,;-1.43,-2.29,;-.1,-3.06,;-2.76,-3.06,;-4.1,-2.29,;-4.1,-.75,;-5.44,-3.05,;-5.44,-4.59,;-6.78,-5.36,;-8.11,-4.59,;-8.11,-3.05,;-6.78,-2.28,;-.1,1.56,;1.24,2.33,;1.24,3.87,;2.57,1.56,;2.57,.02,;3.9,-.75,;1.24,-.75,;3.9,2.33,;3.9,3.87,;5.24,1.56,;5.24,.02,;6.57,2.33,;6.57,3.87,;8.04,4.35,;8.94,3.1,;8.04,1.86,;10.48,3.1,;11.25,4.44,;11.25,1.77,;12.02,.44,;12.79,-.9,;12.32,-2.36,;13.56,-3.27,;14.81,-2.36,;14.33,-.9,;15.1,.44,;-12.02,-3.82,;-12.79,-5.15,;-14.33,-5.15,;-15.1,-3.82,;-14.33,-2.49,;-12.79,-2.49,;-12.02,-1.15,;-10.48,-1.15,;-12.79,.18,;-14.33,.18,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591577
(US11566007, Example A255)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)c1ncc(NC(=O)C=C)n1C)-c1cccnc1[C@H](C)OC |r,wU:21.40,39.47,64.71,wD:13.18,(-9.13,-7.34,;-9.9,-6.01,;-9.13,-4.68,;-10.04,-3.43,;-9.13,-2.18,;-9.13,-.64,;-7.8,.13,;-6.31,.52,;-6.71,-.96,;-7.66,1.95,;-6.32,2.72,;-6.32,4.26,;-7.66,5.03,;-4.99,5.03,;-4.99,6.57,;-3.65,7.34,;-2.32,6.57,;-2.32,5.03,;-3.65,4.26,;-.99,4.26,;.35,5.03,;-.99,2.72,;-2.32,1.95,;-2.32,.41,;-.99,-.36,;-.99,-1.9,;.35,-2.67,;-2.32,-2.67,;-3.65,-1.9,;-3.65,-.36,;-5,-2.66,;-5,-4.2,;-6.34,-4.97,;-7.67,-4.2,;-7.67,-2.66,;-6.34,-1.89,;.35,1.95,;1.68,2.72,;1.68,4.26,;3.01,1.95,;3.01,.41,;4.35,-.36,;1.68,-.36,;4.35,2.72,;4.35,4.26,;5.68,1.95,;5.68,.41,;7.01,2.72,;7.49,4.19,;9.03,4.19,;9.51,2.72,;10.99,2.33,;12.08,3.41,;11.68,4.9,;13.57,3.02,;14.66,4.1,;8.26,1.82,;8.26,.28,;-11.58,-3.43,;-12.35,-4.76,;-13.89,-4.76,;-14.66,-3.43,;-13.89,-2.1,;-12.35,-2.1,;-11.58,-.76,;-10.04,-.76,;-12.35,.57,;-11.58,1.9,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591578
(US11566007, Example A256)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)C1CN(C1)C(=O)C=C)-c1cccnc1[C@H](C)OC |r,wU:21.40,39.47,61.68,wD:13.18,(-7.66,-7.34,;-8.43,-6.01,;-7.66,-4.68,;-8.56,-3.43,;-7.66,-2.18,;-7.66,-.64,;-6.33,.13,;-4.84,.52,;-5.24,-.96,;-6.18,1.95,;-4.85,2.72,;-4.85,4.26,;-6.18,5.03,;-3.51,5.03,;-3.51,6.57,;-2.18,7.34,;-.85,6.57,;-.85,5.03,;-2.18,4.26,;.49,4.26,;1.82,5.03,;.49,2.72,;-.85,1.95,;-.85,.41,;.49,-.36,;.49,-1.9,;1.82,-2.67,;-.85,-2.67,;-2.18,-1.9,;-2.18,-.36,;-3.53,-2.66,;-3.53,-4.2,;-4.86,-4.97,;-6.19,-4.2,;-6.19,-2.66,;-4.86,-1.89,;1.82,1.95,;3.16,2.72,;3.16,4.26,;4.49,1.95,;4.49,.41,;5.82,-.36,;3.16,-.36,;5.82,2.72,;5.82,4.26,;7.16,1.95,;6.39,.62,;8.7,1.95,;9.79,.87,;10.87,1.95,;9.79,3.04,;12.41,1.95,;13.18,3.29,;13.18,.62,;12.41,-.71,;-10.1,-3.43,;-10.87,-4.76,;-12.41,-4.76,;-13.18,-3.43,;-12.41,-2.1,;-10.87,-2.1,;-10.1,-.76,;-8.56,-.76,;-10.87,.57,;-11.64,1.9,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591579
(US11566007, Example A257)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)C1CN(C1)C(=O)\C=C\CN(C)C)-c1cccnc1[C@H](C)OC |r,wU:21.40,39.47,65.72,wD:13.18,(-9.97,-7.34,;-10.74,-6.01,;-9.97,-4.68,;-10.87,-3.43,;-9.97,-2.18,;-9.97,-.64,;-8.64,.13,;-7.15,.52,;-7.55,-.96,;-8.49,1.95,;-7.16,2.72,;-7.16,4.26,;-8.49,5.03,;-5.82,5.03,;-5.82,6.57,;-4.49,7.34,;-3.16,6.57,;-3.16,5.03,;-4.49,4.26,;-1.82,4.26,;-.49,5.03,;-1.82,2.72,;-3.16,1.95,;-3.16,.41,;-1.82,-.36,;-1.82,-1.9,;-.49,-2.67,;-3.16,-2.67,;-4.49,-1.9,;-4.49,-.36,;-5.84,-2.66,;-5.84,-4.2,;-7.17,-4.97,;-8.5,-4.2,;-8.5,-2.66,;-7.17,-1.89,;-.49,1.95,;.85,2.72,;.85,4.26,;2.18,1.95,;2.18,.41,;3.51,-.36,;.85,-.36,;3.51,2.72,;3.51,4.26,;4.85,1.95,;4.08,.62,;6.39,1.95,;7.48,.87,;8.56,1.95,;7.48,3.04,;10.1,1.95,;10.87,.62,;10.87,3.29,;12.41,3.29,;13.18,4.62,;14.72,4.62,;15.49,3.29,;15.49,5.96,;-12.41,-3.43,;-13.18,-4.76,;-14.72,-4.76,;-15.49,-3.43,;-14.72,-2.1,;-13.18,-2.1,;-12.41,-.76,;-10.87,-.76,;-13.18,.57,;-13.95,1.9,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591588
(US11566007, Example A266)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CCOC)-c1cccnc1[C@H](C)OC |r,wU:21.40,39.47,65.72,wD:13.18,47.51,(-9.56,-7.38,;-10.33,-6.05,;-9.56,-4.72,;-10.47,-3.47,;-9.56,-2.22,;-9.56,-.68,;-8.23,.09,;-6.74,.48,;-7.14,-1,;-8.09,1.91,;-6.75,2.68,;-6.75,4.22,;-8.09,4.99,;-5.42,4.99,;-5.42,6.53,;-4.08,7.3,;-2.75,6.53,;-2.75,4.99,;-4.08,4.22,;-1.42,4.22,;-.08,4.99,;-1.42,2.68,;-2.75,1.91,;-2.75,.37,;-1.42,-.4,;-1.42,-1.94,;-.08,-2.71,;-2.75,-2.71,;-4.08,-1.94,;-4.08,-.4,;-5.43,-2.7,;-5.43,-4.24,;-6.77,-5.01,;-8.1,-4.24,;-8.1,-2.7,;-6.77,-1.93,;-.08,1.91,;1.25,2.68,;1.25,4.22,;2.58,1.91,;2.58,.37,;3.92,-.4,;1.25,-.4,;3.92,2.68,;3.92,4.22,;5.25,1.91,;5.25,.37,;6.59,2.68,;8.05,2.21,;8.95,3.45,;8.05,4.7,;6.59,4.22,;8.45,6.19,;7.36,7.28,;9.94,6.59,;11.42,6.98,;12.91,7.38,;14,6.29,;15.09,5.21,;-12.01,-3.47,;-12.78,-4.8,;-14.32,-4.8,;-15.09,-3.47,;-14.32,-2.14,;-12.78,-2.14,;-12.01,-.8,;-10.47,-.8,;-12.78,.53,;-13.55,1.86,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591590
(US11566007, Example A268)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N1CC[C@]2(CCN(C2)C(=O)\C=C\CN(C)C)C1=O)-c1cccnc1[C@H](C)OC |r,wU:21.40,39.47,67.75,wD:13.18,46.64,(-9.02,-7.34,;-9.79,-6.01,;-9.02,-4.68,;-9.92,-3.43,;-9.02,-2.18,;-9.02,-.64,;-7.68,.13,;-6.19,.52,;-6.59,-.96,;-7.54,1.95,;-6.2,2.72,;-6.2,4.26,;-7.54,5.03,;-4.87,5.03,;-4.87,6.57,;-3.54,7.34,;-2.2,6.57,;-2.2,5.03,;-3.54,4.26,;-.87,4.26,;.46,5.03,;-.87,2.72,;-2.2,1.95,;-2.2,.41,;-.87,-.36,;-.87,-1.9,;.46,-2.67,;-2.2,-2.67,;-3.54,-1.9,;-3.54,-.36,;-4.88,-2.66,;-4.88,-4.2,;-6.22,-4.97,;-7.55,-4.2,;-7.55,-2.66,;-6.22,-1.89,;.46,1.95,;1.8,2.72,;1.8,4.26,;3.13,1.95,;3.13,.41,;4.47,-.36,;1.8,-.36,;4.47,2.72,;4.47,4.26,;5.93,4.74,;6.84,3.49,;7.74,4.74,;9.21,4.26,;9.21,2.72,;7.74,2.25,;10.54,1.95,;11.87,2.72,;10.54,.41,;11.87,-.36,;11.87,-1.9,;13.21,-2.67,;13.21,-4.21,;14.54,-1.9,;5.93,2.25,;6.7,.91,;-11.46,-3.43,;-12.23,-4.76,;-13.77,-4.76,;-14.54,-3.43,;-13.77,-2.1,;-12.23,-2.1,;-11.46,-.76,;-9.92,-.76,;-12.23,.57,;-11.46,1.9,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591592
(US11566007, Example A270)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N1CCC2(CN(C2)C(=O)\C=C\CN(C)C)C1=O)-c1cccnc1[C@H](C)OC |r,wU:21.40,39.47,66.74,wD:13.18,(-9.72,-7.34,;-10.49,-6.01,;-9.72,-4.68,;-10.62,-3.43,;-9.72,-2.18,;-9.72,-.64,;-8.38,.13,;-6.9,.52,;-7.29,-.96,;-8.24,1.95,;-6.91,2.72,;-6.91,4.26,;-8.24,5.03,;-5.57,5.03,;-5.57,6.57,;-4.24,7.34,;-2.9,6.57,;-2.9,5.03,;-4.24,4.26,;-1.57,4.26,;-.24,5.03,;-1.57,2.72,;-2.9,1.95,;-2.9,.41,;-1.57,-.36,;-1.57,-1.9,;-.24,-2.67,;-2.9,-2.67,;-4.24,-1.9,;-4.24,-.36,;-5.58,-2.66,;-5.58,-4.2,;-6.92,-4.97,;-8.25,-4.2,;-8.25,-2.66,;-6.92,-1.89,;-.24,1.95,;1.1,2.72,;1.1,4.26,;2.43,1.95,;2.43,.41,;3.76,-.36,;1.1,-.36,;3.76,2.72,;3.76,4.26,;5.23,4.74,;6.13,3.49,;7.22,2.41,;8.31,3.49,;7.22,4.58,;9.85,3.49,;10.62,4.83,;10.62,2.16,;12.16,2.16,;12.93,.83,;14.47,.83,;15.24,-.51,;15.24,2.16,;5.23,2.25,;6,.91,;-12.16,-3.43,;-12.93,-4.76,;-14.47,-4.76,;-15.24,-3.43,;-14.47,-2.1,;-12.93,-2.1,;-12.16,-.76,;-10.62,-.76,;-12.93,.57,;-13.7,1.9,)| | 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM591612
(US11566007, Example A290)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CC(C)(C)N(C)C)-c1cccnc1[C@H](C)OC |r,wU:21.39,38.46,67.74,wD:13.18,46.50,(-9.42,-8.67,;-10.19,-7.34,;-9.42,-6,;-10.32,-4.76,;-9.42,-3.51,;-9.42,-1.97,;-8.08,-1.2,;-6.6,-.8,;-6.99,-2.29,;-7.94,.63,;-6.61,1.4,;-6.61,2.94,;-7.94,3.71,;-5.27,3.71,;-5.27,5.25,;-3.94,6.02,;-2.6,5.25,;-2.6,3.71,;-3.94,2.94,;-1.27,2.94,;.06,3.71,;-1.27,1.4,;-2.6,.63,;-2.6,-.91,;-1.27,-1.68,;-1.27,-3.22,;-2.6,-3.99,;-3.94,-3.26,;-3.94,-1.68,;-5.29,-3.99,;-5.29,-5.53,;-6.62,-6.3,;-7.95,-5.53,;-7.95,-3.99,;-6.62,-3.22,;.06,.63,;1.4,1.4,;1.4,2.94,;2.73,.63,;2.73,-.91,;4.06,-1.68,;1.4,-1.68,;4.06,1.4,;4.06,2.94,;5.4,.63,;5.4,-.91,;6.73,1.4,;8.2,.92,;9.1,2.17,;8.2,3.41,;6.73,2.94,;8.59,4.9,;7.51,5.99,;10.08,5.3,;11.57,5.7,;13.06,6.1,;14.15,5.01,;13.46,4.61,;13.46,7.58,;12.37,8.67,;14.94,7.98,;-11.86,-4.76,;-12.63,-6.09,;-14.17,-6.09,;-14.94,-4.76,;-14.17,-3.42,;-12.63,-3.42,;-11.86,-2.09,;-10.32,-2.09,;-12.63,-.76,;-11.86,.58,)| | PDB
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| 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
A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BP06QH |
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