Found 1836 hits Enz. Inhib. hit(s) with Target = 'GTPase NRas' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
GTPase NRas
(Homo sapiens (Human)) | BDBM50097071
(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113006
BindingDB Entry DOI: 10.7270/Q2G44VBP |
More data for this
Ligand-Target Pair | |
GTPase NRas
(Homo sapiens (Human)) | BDBM538632
(NCGC 00371858 | US11254667, Compound I-38 | US115...)Show SMILES COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1nnn[nH]1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Table 8-10: Compounds were tested in 10-dose IC50 mode with 3-fold serial dilution starting at 10 uM, and are relative to DMSO, the negative control.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2154MW8 |
More data for this
Ligand-Target Pair | |
GTPase NRas
(Homo sapiens (Human)) | BDBM538632
(NCGC 00371858 | US11254667, Compound I-38 | US115...)Show SMILES COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1nnn[nH]1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
AlphaScreen SureFire STAT5 (pTyr694;Tyr699) Assay kit (Perkin Elmer). Assay was performed according to manufacturer protocol. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27H1NR2 |
More data for this
Ligand-Target Pair | |
GTPase NRas [G12C]
(Homo sapiens (Human)) | BDBM591748
(Synthesis of 3-((1-(4-(dimethylamino)-4-methylpent...)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc1c2c3)NC(=O)CCOC1CN(C1)C(=O)C#CC(C)(C)N(C)C)-c1cccnc1C(C)OC |r,wU:21.38,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,;-6.72,.13,;-7.49,-1.21,;-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,-.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,;-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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591755
(US11566007, Example A435)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)N(C)C1CN(C1)C(=O)C=C)-c1cccnc1[C@H](C)OC |r,wU:21.38,61.68,37.45,wD:13.18,(-7.56,-7.3,;-8.65,-6.21,;-8.26,-4.72,;-9.16,-3.48,;-8.26,-2.23,;-8.26,-.69,;-6.92,.08,;-5.43,.48,;-5.83,-1.01,;-6.78,1.91,;-5.44,2.68,;-5.44,4.22,;-6.78,4.99,;-4.11,4.99,;-4.11,6.53,;-2.78,7.3,;-1.44,6.53,;-1.44,4.99,;-2.78,4.22,;-.11,4.22,;1.22,4.99,;-.11,2.68,;-1.44,1.91,;-1.44,.37,;-2.78,-.4,;-2.78,-1.94,;-1.44,-2.71,;-.11,-.4,;-4.12,-2.71,;-4.12,-4.25,;-5.46,-5.02,;-6.79,-4.25,;-6.79,-2.71,;-5.46,-1.94,;1.22,1.91,;2.56,2.68,;2.56,4.22,;3.89,1.91,;3.89,.37,;2.56,-.4,;5.23,-.4,;5.23,2.68,;5.23,4.22,;6.56,1.91,;6.56,.37,;7.89,2.68,;7.89,4.22,;9.23,1.91,;9.63,.42,;11.11,.82,;10.71,2.31,;12.45,.05,;13.78,.82,;12.45,-1.49,;11.11,-2.26,;-10.7,-3.48,;-11.47,-4.81,;-13.01,-4.81,;-13.78,-3.48,;-13.01,-2.14,;-11.47,-2.14,;-10.7,-.81,;-9.16,-.81,;-11.47,.52,;-11.07,2.01,)| | 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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591794
(US11566007, Example A474 | US11566007, Example A47...)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)c1cnc(NC(=O)C=C)n1C)-c1cccnc1C(C)OC |r,wU:21.39,38.46,wD:13.18,(-8.81,-7.34,;-9.58,-6.01,;-8.81,-4.68,;-9.71,-3.43,;-8.81,-2.18,;-8.81,-.64,;-7.47,.13,;-5.99,.52,;-6.38,-.96,;-7.33,1.95,;-5.99,2.72,;-5.99,4.26,;-7.33,5.03,;-4.66,5.03,;-4.66,6.57,;-3.33,7.34,;-1.99,6.57,;-1.99,5.03,;-3.33,4.26,;-.66,4.26,;.67,5.03,;-.66,2.72,;-1.99,1.95,;-1.99,.41,;-.66,-.36,;-.66,-1.9,;-2,-2.67,;-3.33,-1.9,;-3.33,-.36,;-4.67,-2.66,;-4.67,-4.2,;-6.01,-4.97,;-7.34,-4.2,;-7.34,-2.66,;-6.01,-1.89,;.67,1.95,;2.01,2.72,;2.01,4.26,;3.34,1.95,;3.34,.41,;4.67,-.36,;2.01,-.36,;4.67,2.72,;4.67,4.26,;6.01,1.95,;6.01,.41,;7.34,2.72,;7.34,4.26,;8.81,4.74,;9.71,3.49,;11.25,3.49,;12.02,4.83,;11.25,6.16,;13.56,4.83,;14.33,6.16,;8.81,2.25,;9.58,.91,;-11.25,-3.43,;-12.02,-4.76,;-13.56,-4.76,;-14.33,-3.43,;-13.56,-2.1,;-12.02,-2.1,;-11.25,-.76,;-9.71,-.76,;-12.02,.57,;-11.03,1.75,)| | 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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591794
(US11566007, Example A474 | US11566007, Example A47...)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)c1cnc(NC(=O)C=C)n1C)-c1cccnc1C(C)OC |r,wU:21.39,38.46,wD:13.18,(-8.81,-7.34,;-9.58,-6.01,;-8.81,-4.68,;-9.71,-3.43,;-8.81,-2.18,;-8.81,-.64,;-7.47,.13,;-5.99,.52,;-6.38,-.96,;-7.33,1.95,;-5.99,2.72,;-5.99,4.26,;-7.33,5.03,;-4.66,5.03,;-4.66,6.57,;-3.33,7.34,;-1.99,6.57,;-1.99,5.03,;-3.33,4.26,;-.66,4.26,;.67,5.03,;-.66,2.72,;-1.99,1.95,;-1.99,.41,;-.66,-.36,;-.66,-1.9,;-2,-2.67,;-3.33,-1.9,;-3.33,-.36,;-4.67,-2.66,;-4.67,-4.2,;-6.01,-4.97,;-7.34,-4.2,;-7.34,-2.66,;-6.01,-1.89,;.67,1.95,;2.01,2.72,;2.01,4.26,;3.34,1.95,;3.34,.41,;4.67,-.36,;2.01,-.36,;4.67,2.72,;4.67,4.26,;6.01,1.95,;6.01,.41,;7.34,2.72,;7.34,4.26,;8.81,4.74,;9.71,3.49,;11.25,3.49,;12.02,4.83,;11.25,6.16,;13.56,4.83,;14.33,6.16,;8.81,2.25,;9.58,.91,;-11.25,-3.43,;-12.02,-4.76,;-13.56,-4.76,;-14.33,-3.43,;-13.56,-2.1,;-12.02,-2.1,;-11.25,-.76,;-9.71,-.76,;-12.02,.57,;-11.03,1.75,)| | 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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591799
(US11566007, Example A479)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)N1CCN(CC1)C(=O)C#CC(C)(C)N(C)C)-c1cccnc1[C@H](C)OC |r,wU:21.38,37.45,67.74,wD:13.18,(-9.98,-7.34,;-10.75,-6.01,;-9.98,-4.68,;-10.88,-3.43,;-9.98,-2.18,;-9.98,-.64,;-8.65,.13,;-7.16,.52,;-7.56,-.96,;-8.5,1.95,;-7.17,2.72,;-7.17,4.26,;-8.5,5.03,;-5.83,5.03,;-5.83,6.57,;-4.5,7.34,;-3.17,6.57,;-3.17,5.03,;-4.5,4.26,;-1.83,4.26,;-.5,5.03,;-1.83,2.72,;-3.17,1.95,;-3.17,.41,;-4.5,-.36,;-4.5,-1.9,;-3.17,-2.67,;-1.83,-.36,;-5.85,-2.66,;-5.85,-4.2,;-7.18,-4.97,;-8.51,-4.2,;-8.51,-2.66,;-7.18,-1.89,;-.5,1.95,;.83,2.72,;.83,4.26,;2.17,1.95,;2.17,.41,;3.5,-.36,;.83,-.36,;3.5,2.72,;3.5,4.26,;4.84,1.95,;4.84,.41,;6.17,2.72,;7.5,1.95,;8.84,2.72,;8.84,4.26,;7.5,5.03,;6.17,4.26,;10.17,5.03,;10.17,6.57,;11.5,4.26,;12.84,3.49,;14.17,2.72,;15.5,3.49,;14.17,4.26,;14.17,1.18,;12.84,.41,;15.5,.41,;-12.42,-3.43,;-13.19,-4.76,;-14.73,-4.76,;-15.5,-3.43,;-14.73,-2.1,;-13.19,-2.1,;-12.42,-.76,;-10.88,-.76,;-13.19,.57,;-12.42,1.9,)| | 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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591829
(US11566007, Example A509)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#CC1CCO1)-c1cccnc1C(C)OC |r,w:54.60,wU:21.39,38.46,wD:13.18,46.50,(-9.83,-7.38,;-10.6,-6.04,;-9.83,-4.71,;-10.73,-3.46,;-9.83,-2.22,;-9.83,-.68,;-8.49,.09,;-7.01,.49,;-7.41,-1,;-8.35,1.92,;-7.02,2.69,;-7.02,4.23,;-8.35,5,;-5.68,5,;-5.68,6.54,;-4.35,7.31,;-3.02,6.54,;-3.02,5,;-4.35,4.23,;-1.68,4.23,;-.35,5,;-1.68,2.69,;-3.02,1.92,;-3.02,.38,;-1.68,-.39,;-1.68,-1.93,;-3.02,-2.7,;-4.35,-1.93,;-4.35,-.39,;-5.7,-2.69,;-5.7,-4.23,;-7.03,-5,;-8.36,-4.23,;-8.36,-2.69,;-7.03,-1.92,;-.35,1.92,;.99,2.69,;.99,4.23,;2.32,1.92,;2.32,.38,;.99,-.39,;3.65,-.39,;3.65,2.69,;3.65,4.23,;4.99,1.92,;4.99,.38,;6.32,2.69,;7.79,2.22,;8.69,3.46,;7.79,4.71,;6.32,4.23,;8.56,6.04,;7.79,7.38,;10.1,6.04,;11.64,6.04,;13.18,6.04,;14.26,4.95,;15.35,6.04,;14.26,7.13,;-12.27,-3.46,;-13.04,-4.8,;-14.58,-4.8,;-15.35,-3.46,;-14.58,-2.13,;-13.04,-2.13,;-12.27,-.8,;-10.73,-.8,;-13.04,.54,;-12.05,1.72,)| | 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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591847
(US11566007, Example A527)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(F)(F)F)-c1cccnc1[C@H](C)OC |r,wU:21.40,66.73,39.47,wD:13.18,47.51,(-8.67,-8.67,;-9.44,-7.34,;-8.67,-6,;-9.58,-4.76,;-8.67,-3.51,;-8.67,-1.97,;-7.34,-1.2,;-5.85,-.8,;-6.25,-2.29,;-7.2,.63,;-5.86,1.4,;-5.86,2.94,;-7.2,3.71,;-4.53,3.71,;-4.53,5.25,;-3.19,6.02,;-1.86,5.25,;-1.86,3.71,;-3.19,2.94,;-.53,2.94,;.81,3.71,;-.53,1.4,;-1.86,.63,;-1.86,-.91,;-.53,-1.68,;-.53,-3.22,;.81,-3.99,;-1.86,-3.99,;-3.19,-3.22,;-3.19,-1.68,;-4.54,-3.99,;-4.54,-5.53,;-5.88,-6.3,;-7.21,-5.53,;-7.21,-3.99,;-5.88,-3.22,;.81,.63,;2.14,1.4,;2.14,2.94,;3.47,.63,;3.47,-.91,;2.14,-1.68,;4.81,-1.68,;4.81,1.4,;4.81,2.94,;6.14,.63,;6.14,-.91,;7.47,1.4,;8.94,.92,;9.84,2.17,;8.94,3.41,;7.47,2.94,;9.34,4.9,;8.25,5.99,;10.83,5.3,;11.91,4.21,;13.4,4.61,;14.89,5.01,;13.8,3.12,;13,6.1,;-11.12,-4.76,;-11.89,-6.09,;-13.43,-6.09,;-14.2,-4.76,;-13.43,-3.42,;-11.89,-3.42,;-11.12,-2.09,;-9.58,-2.09,;-11.89,-.76,;-11.12,.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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591654
(US11566007, Example A333)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)-c1cnn2CCC[C@H](OC)c12 |r,wU:21.40,39.47,wD:13.18,47.51,63.69,(-7.31,-7.34,;-8.08,-6.01,;-7.31,-4.68,;-8.22,-3.43,;-7.31,-2.18,;-7.31,-.64,;-5.98,.13,;-4.49,.52,;-4.89,-.96,;-5.84,1.95,;-4.5,2.72,;-4.5,4.26,;-5.84,5.03,;-3.17,5.03,;-3.17,6.57,;-1.84,7.34,;-.5,6.57,;-.5,5.03,;-1.84,4.26,;.83,4.26,;2.17,5.03,;.83,2.72,;-.5,1.95,;-.5,.41,;.83,-.36,;.83,-1.9,;2.17,-2.67,;-.5,-2.67,;-1.84,-1.94,;-1.84,-.36,;-3.18,-2.66,;-3.18,-4.2,;-4.52,-4.97,;-5.85,-4.2,;-5.85,-2.66,;-4.52,-1.89,;2.17,1.95,;3.5,2.72,;3.5,4.26,;4.83,1.95,;4.83,.41,;6.17,-.36,;3.5,-.36,;6.17,2.72,;6.17,4.26,;7.5,1.95,;7.5,.41,;8.83,2.72,;10.3,2.25,;11.2,3.49,;10.3,4.74,;8.83,4.26,;10.7,6.23,;9.61,7.32,;12.18,6.63,;13.27,5.54,;-9.76,-3.43,;-10.66,-4.68,;-12.13,-4.2,;-12.13,-2.66,;-13.27,-1.63,;-12.95,-.12,;-11.49,.35,;-10.34,-.68,;-8.86,-.28,;-8.46,1.21,;-10.66,-2.18,)| | 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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591657
(US11566007, Example A336)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)c1ccc(NC(=O)C=C)nc1)-c1cccnc1[C@H](C)OC |r,wU:21.40,39.47,64.71,wD:13.18,(-9.31,-7.34,;-10.08,-6.01,;-9.31,-4.68,;-10.22,-3.43,;-9.31,-2.18,;-9.31,-.64,;-7.98,.13,;-6.49,.52,;-6.89,-.96,;-7.83,1.95,;-6.5,2.72,;-6.5,4.26,;-7.83,5.03,;-5.17,5.03,;-5.17,6.57,;-3.83,7.34,;-2.5,6.57,;-2.5,5.03,;-3.83,4.26,;-1.17,4.26,;.17,5.03,;-1.17,2.72,;-2.5,1.95,;-2.5,.41,;-1.17,-.36,;-1.17,-1.9,;.17,-2.67,;-2.5,-2.67,;-3.83,-1.94,;-3.83,-.36,;-5.18,-2.66,;-5.18,-4.2,;-6.51,-4.97,;-7.85,-4.2,;-7.85,-2.66,;-6.51,-1.89,;.17,1.95,;1.5,2.72,;1.5,4.26,;2.83,1.95,;2.83,.41,;4.17,-.36,;1.5,-.36,;4.17,2.72,;4.17,4.26,;5.5,1.95,;5.5,.41,;6.84,2.72,;6.84,4.26,;8.17,5.03,;9.5,4.26,;10.84,5.03,;12.17,4.26,;12.17,2.72,;13.5,5.03,;14.84,4.26,;9.5,2.72,;8.17,1.95,;-11.76,-3.43,;-12.53,-4.76,;-14.07,-4.76,;-14.84,-3.43,;-14.07,-2.1,;-12.53,-2.1,;-11.76,-.76,;-10.22,-.76,;-12.53,.57,;-14.07,.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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591658
(US11566007, Example A337)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:21.40,39.47,69.77,47.51,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,-2.33,;-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,.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,;-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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591660
(US11566007, Example A339)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,;13.06,4.56,;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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591664
(US11566007, Example A343)Show SMILES COC(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](COC1CN(C1)C(=O)C#CC(C)(C)N(C)C)C(C)C |r,wU:50.55,28.52,wD:20.26,(-12.48,2.42,;-13.47,1.24,;-12.7,-.1,;-11.16,-.1,;-13.47,-1.43,;-15.01,-1.43,;-15.78,-2.76,;-15.01,-4.1,;-13.47,-4.1,;-12.7,-2.76,;-11.16,-2.76,;-10.26,-1.52,;-10.26,.02,;-8.92,.79,;-7.38,.79,;-8.15,-.54,;-8.78,2.62,;-7.44,3.39,;-7.44,4.93,;-8.78,5.7,;-6.11,5.7,;-6.11,7.24,;-4.78,8.01,;-3.44,7.24,;-3.44,5.7,;-4.78,4.93,;-2.11,4.93,;-.78,5.7,;-2.11,3.39,;-3.44,2.62,;-3.44,1.08,;-4.91,.6,;-4.91,-.94,;-3.44,-1.41,;-2.54,-.17,;-6.12,-1.99,;-6.12,-3.53,;-7.46,-4.3,;-8.79,-3.53,;-10.26,-4.01,;-10.73,-5.47,;-12.24,-5.79,;-12.56,-4.29,;-11.92,-7.3,;-13.74,-6.11,;-8.79,-1.99,;-7.46,-1.22,;-.78,2.62,;.56,3.39,;.56,4.93,;1.89,2.62,;3.23,3.39,;4.56,2.62,;5.89,3.39,;7.38,2.99,;7.78,4.48,;6.29,4.88,;9.11,5.25,;9.11,6.79,;10.45,4.48,;11.78,3.71,;13.11,2.94,;12.34,1.61,;13.88,1.61,;14.45,3.71,;15.78,2.94,;14.45,5.25,;1.89,1.08,;3.23,.31,;.56,.31,)| | 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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591669
(US11566007, Example A348)Show SMILES COC(C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(F)cc(c3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@@H](COC1CN(C1)C(=O)C#CC(C)(C)N(C)C)C(C)C |r,wU:52.57,28.54,wD:20.26,(-11.81,2.42,;-12.8,1.24,;-12.03,-.1,;-10.49,-.1,;-12.8,-1.43,;-14.34,-1.43,;-15.11,-2.76,;-14.34,-4.1,;-12.8,-4.1,;-12.03,-2.76,;-10.49,-2.76,;-9.59,-1.52,;-9.59,.02,;-8.26,.79,;-6.72,.79,;-7.49,-.54,;-8.11,2.62,;-6.78,3.39,;-6.78,4.93,;-8.11,5.7,;-5.44,5.7,;-5.44,7.24,;-4.11,8.01,;-2.78,7.24,;-2.78,5.7,;-4.11,4.93,;-1.44,4.93,;-.11,5.7,;-1.44,3.39,;-2.78,2.62,;-2.78,1.08,;-1.44,.31,;-1.44,-1.23,;-.11,-2,;-2.78,-2,;-4.11,-1.27,;-4.11,.31,;-5.46,-1.99,;-5.46,-3.53,;-6.79,-4.3,;-8.12,-3.53,;-9.59,-4.01,;-10.06,-5.47,;-11.57,-5.79,;-11.89,-4.29,;-11.25,-7.3,;-13.08,-6.11,;-8.12,-1.99,;-6.79,-1.22,;-.11,2.62,;1.22,3.39,;1.22,4.93,;2.56,2.62,;3.89,3.39,;5.23,2.62,;6.56,3.39,;8.05,2.99,;8.45,4.48,;6.96,4.88,;9.78,5.25,;9.78,6.79,;11.11,4.48,;12.45,3.71,;13.78,2.94,;15.11,3.71,;13.78,4.48,;13.78,1.4,;15.11,.63,;12.45,.63,;2.56,1.08,;3.89,.31,;1.22,.31,)| | 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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591672
(US11566007, Example A351)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)N1CO[C@]2(CCN(C2)C(=O)C#CC(C)(C)N2CCC2)C1=O)-c1cccnc1[C@H](C)OC |r,wU:21.39,38.46,69.78,wD:13.18,45.49,(-9.68,-7.34,;-10.45,-6.01,;-9.68,-4.68,;-10.59,-3.43,;-9.68,-2.18,;-9.68,-.64,;-8.35,.13,;-6.86,.52,;-7.26,-.96,;-8.2,1.95,;-6.87,2.72,;-6.87,4.26,;-8.2,5.03,;-5.54,5.03,;-5.54,6.57,;-4.2,7.34,;-2.87,6.57,;-2.87,5.03,;-4.2,4.26,;-1.54,4.26,;-.2,5.03,;-1.54,2.72,;-2.87,1.95,;-2.87,.41,;-1.54,-.36,;-1.54,-1.9,;-2.87,-2.67,;-4.2,-1.94,;-4.2,-.36,;-5.55,-2.66,;-5.55,-4.2,;-6.88,-4.97,;-8.22,-4.2,;-8.22,-2.66,;-6.88,-1.89,;-.2,1.95,;1.13,2.72,;1.13,4.26,;2.47,1.95,;2.47,.41,;3.8,-.36,;1.13,-.36,;3.8,2.72,;3.8,4.26,;5.26,4.74,;6.17,3.49,;7.07,2.25,;8.54,2.72,;8.54,4.26,;7.07,4.74,;9.87,5.03,;9.87,6.57,;11.21,4.26,;12.54,3.49,;13.87,2.72,;15.21,3.49,;13.87,4.26,;13.87,1.18,;12.78,.1,;13.87,-.99,;14.96,.1,;5.26,2.25,;6.03,.91,;-12.13,-3.43,;-12.9,-4.76,;-14.44,-4.76,;-15.21,-3.43,;-14.44,-2.1,;-12.9,-2.1,;-12.13,-.76,;-10.59,-.76,;-12.9,.57,;-12.13,1.9,)| | 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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591686
(US11566007, Example A365)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)N1CC[C@]2(CCN(C2)C(=O)C#CC(C)(C)N2CCC2)C1)-c1cccnc1[C@H](C)OC |r,wU:68.77,21.39,38.46,45.67,wD:13.18,(-9.68,-7.34,;-10.45,-6.01,;-9.68,-4.68,;-10.59,-3.43,;-9.68,-2.18,;-9.68,-.64,;-8.35,.13,;-7.01,-.64,;-6.86,.52,;-8.2,1.95,;-6.87,2.72,;-6.87,4.26,;-8.2,5.03,;-5.54,5.03,;-5.54,6.57,;-4.2,7.34,;-2.87,6.57,;-2.87,5.03,;-4.2,4.26,;-1.54,4.26,;-.2,5.03,;-1.54,2.72,;-2.87,1.95,;-2.87,.41,;-1.54,-.36,;-1.54,-1.9,;-2.87,-2.67,;-4.2,-1.9,;-4.2,-.36,;-5.55,-2.66,;-5.55,-4.2,;-6.88,-4.97,;-8.22,-4.2,;-8.22,-2.66,;-6.88,-1.89,;-.2,1.95,;1.13,2.72,;1.13,4.26,;2.47,1.95,;2.47,.41,;3.8,-.36,;1.13,-.36,;3.8,2.72,;3.8,4.26,;5.26,4.74,;6.17,3.49,;7.07,2.25,;8.54,2.72,;8.54,4.26,;7.07,4.74,;9.87,5.03,;9.87,6.57,;11.21,4.26,;12.54,3.49,;13.87,2.72,;15.21,3.49,;13.87,4.26,;13.87,1.18,;12.78,.1,;13.87,-.99,;14.96,.1,;5.26,2.25,;-12.13,-3.43,;-12.9,-4.76,;-14.44,-4.76,;-15.21,-3.43,;-14.44,-2.1,;-12.9,-2.1,;-12.13,-.76,;-10.59,-.76,;-12.9,.57,;-12.13,1.9,)| | 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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591696
(Synthesis of (2R)-2-(((1-(4-(dimethylamino)-4-meth...)Show SMILES COC(C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](C[C@H]3CN(CCO3)c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@@H](COC1CN(C1)C(=O)C#CC(C)(C)N(C)C)C(C)C |r,wU:51.56,28.53,wD:20.26,30.37,(-12.48,2.42,;-13.47,1.24,;-12.7,-.1,;-11.16,-.1,;-13.47,-1.43,;-15.01,-1.43,;-15.78,-2.76,;-15.01,-4.1,;-13.47,-4.1,;-12.7,-2.76,;-11.16,-2.76,;-10.26,-1.52,;-10.26,.02,;-8.92,.79,;-8.15,-.54,;-7.38,.79,;-8.78,2.62,;-7.44,3.39,;-7.44,4.93,;-8.78,5.7,;-6.11,5.7,;-6.11,7.24,;-4.78,8.01,;-3.44,7.24,;-3.44,5.7,;-4.78,4.93,;-2.11,4.93,;-.78,5.7,;-2.11,3.39,;-3.44,2.62,;-3.44,1.08,;-4.78,.31,;-4.78,-1.23,;-3.44,-2,;-2.11,-1.23,;-2.11,.31,;-6.12,-1.99,;-6.12,-3.53,;-7.46,-4.3,;-8.79,-3.53,;-10.26,-4.01,;-10.73,-5.47,;-12.24,-5.79,;-12.56,-4.29,;-11.92,-7.3,;-13.74,-6.11,;-8.79,-1.99,;-7.46,-1.22,;-.78,2.62,;.56,3.39,;.56,4.93,;1.89,2.62,;3.23,3.39,;4.56,2.62,;5.89,3.39,;7.38,2.99,;7.78,4.48,;6.29,4.88,;9.11,5.25,;9.11,6.79,;10.45,4.48,;11.78,3.71,;13.11,2.94,;12.34,1.61,;13.88,1.61,;14.45,3.71,;15.78,2.94,;14.45,5.25,;1.89,1.08,;3.23,.31,;.56,.31,)| | 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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591697
(US11566007, Example A376)Show SMILES COC(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](COC1CN(C1)C(=O)C#CC(C)(C)N(C)C)C(C)C |r,wU:51.56,28.53,wD:20.26,(-11.81,2.42,;-12.8,1.24,;-12.03,-.1,;-10.49,-.1,;-12.8,-1.43,;-14.34,-1.43,;-15.11,-2.76,;-14.34,-4.1,;-12.8,-4.1,;-12.03,-2.76,;-10.49,-2.76,;-9.59,-1.52,;-9.59,.02,;-8.26,.79,;-7.49,-.54,;-6.72,.79,;-8.11,2.62,;-6.78,3.39,;-6.78,4.93,;-8.11,5.7,;-5.44,5.7,;-5.44,7.24,;-4.11,8.01,;-2.78,7.24,;-2.78,5.7,;-4.11,4.93,;-1.44,4.93,;-.11,5.7,;-1.44,3.39,;-2.78,2.62,;-2.78,1.08,;-1.44,.31,;-1.44,-1.23,;-2.78,-2,;-4.11,-1.23,;-4.11,.31,;-5.46,-1.99,;-5.46,-3.53,;-6.79,-4.3,;-8.12,-3.53,;-9.59,-4.01,;-10.06,-5.47,;-11.57,-5.79,;-11.89,-4.29,;-11.25,-7.3,;-13.08,-6.11,;-8.12,-1.99,;-6.79,-1.22,;-.11,2.62,;1.22,3.39,;1.22,4.93,;2.56,2.62,;3.89,3.39,;5.23,2.62,;6.56,3.39,;8.05,2.99,;8.45,4.48,;6.96,4.88,;9.78,5.25,;9.78,6.79,;11.11,4.48,;12.45,3.71,;13.78,2.94,;15.11,3.71,;13.78,4.48,;13.78,1.4,;15.11,.63,;12.45,.63,;2.56,1.08,;3.89,.31,;1.22,.31,)| | 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 NRas [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 NRas [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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591709
(US11566007, Example A388)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)N1[C@H](C)CN(C[C@H]1C)C(=O)C=C)-c1cccnc1[C@H](C)OC |r,wU:63.70,21.38,37.45,51.57,wD:13.18,46.51,(-8.65,-7.34,;-9.42,-6.01,;-8.65,-4.68,;-9.55,-3.43,;-8.65,-2.18,;-8.65,-.64,;-7.31,.13,;-6.54,-1.21,;-5.77,.13,;-7.17,1.95,;-5.83,2.72,;-5.83,4.26,;-7.17,5.03,;-4.5,5.03,;-4.5,6.57,;-3.17,7.34,;-1.83,6.57,;-1.83,5.03,;-3.17,4.26,;-.5,4.26,;.83,5.03,;-.5,2.72,;-1.83,1.95,;-1.83,.41,;-3.17,-.36,;-3.17,-1.9,;-1.83,-2.67,;-.5,-.36,;-4.51,-2.66,;-4.51,-4.2,;-5.85,-4.97,;-7.18,-4.2,;-7.18,-2.66,;-5.85,-1.89,;.83,1.95,;2.17,2.72,;2.17,4.26,;3.5,1.95,;3.5,.41,;4.84,-.36,;2.17,-.36,;4.84,2.72,;4.84,4.26,;6.17,1.95,;6.17,.41,;7.5,2.72,;7.5,4.26,;6.17,5.03,;8.84,5.03,;10.17,4.26,;10.17,2.72,;8.84,1.95,;8.84,.41,;11.5,5.03,;11.5,6.57,;12.84,4.26,;14.17,5.03,;-11.09,-3.43,;-11.86,-4.76,;-13.4,-4.76,;-14.17,-3.43,;-13.4,-2.1,;-11.86,-2.1,;-11.09,-.76,;-9.55,-.76,;-11.86,.57,;-13.4,.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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591712
(US11566007, Example A391)Show SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(c3)-c3ccc1c2c3)NC(=O)[C@H](C1CCCC1)N(C)C(=O)[C@@H]1CN(C[C@@H]1C)C(=O)C#CC(C)(C)N(C)C)-c1cccnc1[C@H](C)OC |r,wU:70.78,21.39,38.49,wD:13.18,48.53,52.59,(-9.76,-8.13,;-10.53,-6.79,;-9.76,-5.46,;-10.67,-4.21,;-9.76,-2.97,;-9.76,-1.43,;-8.43,-.66,;-7.34,-1.75,;-6.94,-.26,;-8.28,1.17,;-6.95,1.94,;-6.95,3.48,;-8.28,4.25,;-5.62,4.25,;-5.62,5.79,;-4.28,6.56,;-2.95,5.79,;-2.95,4.25,;-4.28,3.48,;-1.62,3.48,;-.28,4.25,;-1.62,1.94,;-2.95,1.17,;-2.95,-.37,;-1.62,-1.14,;-1.62,-2.68,;-2.95,-3.45,;-4.28,-2.68,;-4.28,-1.14,;-5.63,-3.44,;-5.63,-4.98,;-6.96,-5.75,;-8.3,-4.98,;-8.3,-3.44,;-6.96,-2.67,;-.28,1.17,;1.05,1.94,;1.05,3.48,;2.38,1.17,;2.38,-.37,;1.14,-1.27,;1.61,-2.74,;3.15,-2.74,;3.63,-1.27,;3.72,1.94,;3.72,3.48,;5.05,1.17,;5.05,-.37,;6.39,1.94,;6.39,3.48,;7.85,3.96,;8.76,2.71,;7.85,1.46,;8.62,.13,;8.25,5.44,;7.16,6.53,;9.74,5.84,;11.22,6.24,;12.71,6.64,;13.11,8.13,;11.62,7.73,;13.8,5.55,;15.29,5.95,;13.8,4.01,;-12.21,-4.21,;-12.98,-5.55,;-14.52,-5.55,;-15.29,-4.21,;-14.52,-2.88,;-12.98,-2.88,;-12.21,-1.55,;-10.67,-1.55,;-12.98,-.21,;-12.21,1.12,)| | 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 NRas [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 NRas [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 NRas [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 NRas [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 NRas [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 NRas [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 NRas [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 NRas [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 NRas [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 NRas [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
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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591614
(US11566007, Example A292)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)-c1cccnc1[C@H](C)OC |r,wU:21.40,39.47,68.75,wD:13.18,47.51,(-9.76,-8.13,;-10.53,-6.79,;-9.76,-5.46,;-10.67,-4.21,;-9.76,-2.97,;-9.76,-1.43,;-8.43,-.66,;-6.94,-.26,;-7.34,-1.75,;-8.28,1.17,;-6.95,1.94,;-6.95,3.48,;-8.28,4.25,;-5.62,4.25,;-5.62,5.79,;-4.28,6.56,;-2.95,5.79,;-2.95,4.25,;-4.28,3.48,;-1.62,3.48,;-.28,4.25,;-1.62,1.94,;-2.95,1.17,;-2.95,-.37,;-1.62,-1.14,;-1.62,-2.68,;-.28,-3.45,;-2.95,-3.45,;-4.28,-2.72,;-4.28,-1.14,;-5.63,-3.44,;-5.63,-4.98,;-6.96,-5.75,;-8.3,-4.98,;-8.3,-3.44,;-6.96,-2.67,;-.28,1.17,;1.05,1.94,;1.05,3.48,;2.38,1.17,;2.38,-.37,;3.72,-1.14,;1.05,-1.14,;3.72,1.94,;3.72,3.48,;5.05,1.17,;5.05,-.37,;6.39,1.94,;7.85,1.46,;8.76,2.71,;7.85,3.96,;6.39,3.48,;8.25,5.44,;7.16,6.53,;9.74,5.84,;11.22,6.24,;12.71,6.64,;12.31,8.13,;13.8,7.73,;13.8,5.55,;15.29,5.95,;13.4,4.06,;-12.21,-4.21,;-12.98,-5.55,;-14.52,-5.55,;-15.29,-4.21,;-14.52,-2.88,;-12.98,-2.88,;-12.21,-1.55,;-10.67,-1.55,;-12.98,-.21,;-14.52,-.21,)| | 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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591616
(US11566007, Example A294)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)C1=O)-c1cccnc1[C@H](C)OC |r,wU:21.40,39.47,62.70,wD:13.18,(-7.41,-7.34,;-8.18,-6.01,;-7.41,-4.68,;-8.31,-3.43,;-7.41,-2.18,;-7.41,-.64,;-6.07,.13,;-4.59,.52,;-4.98,-.96,;-5.93,1.95,;-4.6,2.72,;-4.6,4.26,;-5.93,5.03,;-3.26,5.03,;-3.26,6.57,;-1.93,7.34,;-.59,6.57,;-.59,5.03,;-1.93,4.26,;.74,4.26,;2.07,5.03,;.74,2.72,;-.59,1.95,;-.59,.41,;.74,-.36,;.74,-1.9,;2.07,-2.67,;-.59,-2.67,;-1.93,-1.94,;-1.93,-.36,;-3.27,-2.66,;-3.27,-4.2,;-4.61,-4.97,;-5.94,-4.2,;-5.94,-2.66,;-4.61,-1.89,;2.07,1.95,;3.41,2.72,;3.41,4.26,;4.74,1.95,;4.74,.41,;6.07,-.36,;3.41,-.36,;6.07,2.72,;6.07,4.26,;7.54,4.74,;8.44,3.49,;9.53,2.41,;10.62,3.49,;9.53,4.58,;12.16,3.49,;12.93,4.83,;12.93,2.16,;12.16,.83,;7.54,2.25,;8.31,.91,;-9.85,-3.43,;-10.62,-4.76,;-12.16,-4.76,;-12.93,-3.43,;-12.16,-2.1,;-10.62,-2.1,;-9.85,-.76,;-8.31,-.76,;-10.62,.57,;-12.16,.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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591619
(US11566007, Example A297)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)S(=O)(=O)C=C)C1=O)-c1cccnc1[C@H](C)OC |r,wU:21.40,39.47,63.71,wD:13.18,(-7.77,-7.34,;-8.54,-6.01,;-7.77,-4.68,;-8.67,-3.43,;-7.77,-2.18,;-7.77,-.64,;-6.43,.13,;-4.94,.52,;-5.34,-.96,;-6.29,1.95,;-4.95,2.72,;-4.95,4.26,;-6.29,5.03,;-3.62,5.03,;-3.62,6.57,;-2.29,7.34,;-.95,6.57,;-.95,5.03,;-2.29,4.26,;.38,4.26,;1.71,5.03,;.38,2.72,;-.95,1.95,;-.95,.41,;.38,-.36,;.38,-1.9,;1.71,-2.67,;-.95,-2.67,;-2.29,-1.94,;-2.29,-.36,;-3.63,-2.66,;-3.63,-4.2,;-4.97,-4.97,;-6.3,-4.2,;-6.3,-2.66,;-4.97,-1.89,;1.71,1.95,;3.05,2.72,;3.05,4.26,;4.38,1.95,;4.38,.41,;5.72,-.36,;3.05,-.36,;5.72,2.72,;5.72,4.26,;7.18,4.74,;8.09,3.49,;9.17,2.41,;10.26,3.49,;9.17,4.58,;11.8,3.49,;12.57,4.83,;13.29,3.1,;11.8,1.95,;13.14,1.18,;7.18,2.25,;7.95,.91,;-10.21,-3.43,;-10.98,-4.76,;-12.52,-4.76,;-13.29,-3.43,;-12.52,-2.1,;-10.98,-2.1,;-10.21,-.76,;-8.67,-.76,;-10.98,.57,;-12.52,.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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591620
(US11566007, Example A298)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(CCN(C2)S(=O)(=O)C=C)C1=O)-c1cccnc1[C@H](C)OC |r,wU:21.40,39.47,64.72,wD:13.18,(-7.64,-7.34,;-8.41,-6.01,;-7.64,-4.68,;-8.54,-3.43,;-7.64,-2.18,;-7.64,-.64,;-6.3,.13,;-4.81,.52,;-5.21,-.96,;-6.16,1.95,;-4.82,2.72,;-4.82,4.26,;-6.16,5.03,;-3.49,5.03,;-3.49,6.57,;-2.16,7.34,;-.82,6.57,;-.82,5.03,;-2.16,4.26,;.51,4.26,;1.84,5.03,;.51,2.72,;-.82,1.95,;-.82,.41,;.51,-.36,;.51,-1.9,;1.84,-2.67,;-.82,-2.67,;-2.16,-1.94,;-2.16,-.36,;-3.5,-2.66,;-3.5,-4.2,;-4.84,-4.97,;-6.17,-4.2,;-6.17,-2.66,;-4.84,-1.89,;1.84,1.95,;3.18,2.72,;3.18,4.26,;4.51,1.95,;4.51,.41,;5.85,-.36,;3.18,-.36,;5.85,2.72,;5.85,4.26,;7.31,4.74,;8.22,3.49,;9.12,4.74,;10.58,4.26,;10.58,2.72,;9.12,2.25,;11.67,1.64,;13.16,2.03,;12.07,3.12,;11.28,.15,;9.79,-.25,;7.31,2.25,;8.08,.91,;-10.08,-3.43,;-10.85,-4.76,;-12.39,-4.76,;-13.16,-3.43,;-12.39,-2.1,;-10.85,-2.1,;-10.08,-.76,;-8.54,-.76,;-10.85,.57,;-12.39,.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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591621
(US11566007, Example A299)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(CCN(CC2)S(=O)(=O)C=C)C1=O)-c1cccnc1[C@H](C)OC |r,wU:21.40,39.47,65.73,wD:13.18,(-7.86,-7.34,;-8.63,-6.01,;-7.86,-4.68,;-8.76,-3.43,;-7.86,-2.18,;-7.86,-.64,;-6.52,.13,;-5.04,.52,;-5.44,-.96,;-6.38,1.95,;-5.05,2.72,;-5.05,4.26,;-6.38,5.03,;-3.71,5.03,;-3.71,6.57,;-2.38,7.34,;-1.05,6.57,;-1.05,5.03,;-2.38,4.26,;.29,4.26,;1.62,5.03,;.29,2.72,;-1.05,1.95,;-1.05,.41,;.29,-.36,;.29,-1.9,;1.62,-2.67,;-1.05,-2.67,;-2.38,-1.94,;-2.38,-.36,;-3.73,-2.66,;-3.73,-4.2,;-5.06,-4.97,;-6.39,-4.2,;-6.39,-2.66,;-5.06,-1.89,;1.62,1.95,;2.96,2.72,;2.96,4.26,;4.29,1.95,;4.29,.41,;5.62,-.36,;2.96,-.36,;5.62,2.72,;5.62,4.26,;7.09,4.74,;7.99,3.49,;8.76,2.16,;10.3,2.16,;11.07,3.49,;10.3,4.83,;8.76,4.83,;12.61,3.49,;13.38,4.83,;11.84,4.83,;13.38,2.16,;12.61,.83,;7.09,2.25,;7.86,.91,;-10.3,-3.43,;-11.07,-4.76,;-12.61,-4.76,;-13.38,-3.43,;-12.61,-2.1,;-11.07,-2.1,;-10.3,-.76,;-8.76,-.76,;-11.07,.57,;-12.61,.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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591622
(US11566007, Example A300)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)-c1cnn2CCC[C@H](OC)c12 |r,wU:21.40,39.47,wD:13.18,63.69,47.51,(-7.31,-7.34,;-8.08,-6.01,;-7.31,-4.68,;-8.22,-3.43,;-7.31,-2.18,;-7.31,-.64,;-5.98,.13,;-4.49,.52,;-4.89,-.96,;-5.84,1.95,;-4.5,2.72,;-4.5,4.26,;-5.84,5.03,;-3.17,5.03,;-3.17,6.57,;-1.84,7.34,;-.5,6.57,;-.5,5.03,;-1.84,4.26,;.83,4.26,;2.17,5.03,;.83,2.72,;-.5,1.95,;-.5,.41,;.83,-.36,;.83,-1.9,;2.17,-2.67,;-.5,-2.67,;-1.84,-1.94,;-1.84,-.36,;-3.18,-2.66,;-3.18,-4.2,;-4.52,-4.97,;-5.85,-4.2,;-5.85,-2.66,;-4.52,-1.89,;2.17,1.95,;3.5,2.72,;3.5,4.26,;4.83,1.95,;4.83,.41,;6.17,-.36,;3.5,-.36,;6.17,2.72,;6.17,4.26,;7.5,1.95,;7.5,.41,;8.83,2.72,;10.3,2.25,;11.2,3.49,;10.3,4.74,;8.83,4.26,;10.7,6.23,;9.61,7.32,;12.18,6.63,;13.27,5.54,;-9.76,-3.43,;-10.66,-4.68,;-12.13,-4.2,;-12.13,-2.66,;-13.27,-1.63,;-12.95,-.12,;-11.49,.35,;-10.34,-.68,;-8.86,-.28,;-8.46,1.21,;-10.66,-2.18,)| | 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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591637
(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](Cc3cccc(c3)-c3ccc1c2c3)NC(=O)C(COC1CN(C1)C(=O)C#CC(C)(C)N(C)C)C(C)C)-c1cccnc1[C@H](C)OC |r,wU:21.39,64.71,wD:13.18,(-10.26,-7.34,;-11.03,-6.01,;-10.26,-4.68,;-11.16,-3.43,;-10.26,-2.18,;-10.26,-.64,;-8.92,.13,;-7.43,.52,;-7.83,-.96,;-8.78,1.95,;-7.44,2.72,;-7.44,4.26,;-8.78,5.03,;-6.11,5.03,;-6.11,6.57,;-4.78,7.34,;-3.44,6.57,;-3.44,5.03,;-4.78,4.26,;-2.11,4.26,;-.78,5.03,;-2.11,2.72,;-3.44,1.95,;-3.44,.41,;-2.11,-.36,;-2.11,-1.9,;-3.44,-2.67,;-4.78,-1.94,;-4.78,-.36,;-6.12,-2.66,;-6.12,-4.2,;-7.46,-4.97,;-8.79,-4.2,;-8.79,-2.66,;-7.46,-1.89,;-.78,1.95,;.56,2.72,;.56,4.26,;1.89,1.95,;3.23,2.72,;4.56,1.95,;5.89,2.72,;7.38,2.33,;7.78,3.81,;6.29,4.21,;9.11,4.58,;9.11,6.12,;10.45,3.81,;11.78,3.04,;13.11,2.27,;12.34,.94,;13.88,.94,;14.45,3.04,;14.45,4.58,;15.78,2.27,;1.89,.41,;3.23,-.36,;.56,-.36,;-12.7,-3.43,;-13.47,-4.76,;-15.01,-4.76,;-15.78,-3.43,;-15.01,-2.1,;-13.47,-2.1,;-12.7,-.76,;-11.16,-.76,;-13.47,.57,;-12.7,1.9,)| | 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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591644
(US11566007, Example A323)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)N1CCC2(CN(C2)C(=O)C#CC(C)(C)N(C)C)C1=O)-c1cccnc1[C@H](C)OC |r,wU:21.38,37.45,66.74,wD:13.18,(-8.84,-7.34,;-9.61,-6.01,;-8.84,-4.68,;-9.75,-3.43,;-8.84,-2.18,;-8.84,-.64,;-7.51,.13,;-6.02,.52,;-6.42,-.96,;-7.37,1.95,;-6.03,2.72,;-6.03,4.26,;-7.37,5.03,;-4.7,5.03,;-4.7,6.57,;-3.36,7.34,;-2.03,6.57,;-2.03,5.03,;-3.36,4.26,;-.7,4.26,;.64,5.03,;-.7,2.72,;-2.03,1.95,;-2.03,.41,;-3.36,-.36,;-3.36,-1.94,;-2.03,-2.67,;-.7,-.36,;-4.71,-2.66,;-4.71,-4.2,;-6.05,-4.97,;-7.38,-4.2,;-7.38,-2.66,;-6.05,-1.89,;.64,1.95,;1.97,2.72,;1.97,4.26,;3.3,1.95,;3.3,.41,;4.64,-.36,;1.97,-.36,;4.64,2.72,;4.64,4.26,;6.1,4.74,;7.01,3.49,;8.1,2.41,;9.19,3.49,;8.1,4.58,;10.73,3.49,;11.5,4.83,;11.5,2.16,;12.27,.83,;13.04,-.51,;14.37,.26,;14.37,-1.28,;12.27,-1.84,;10.73,-1.84,;13.04,-3.17,;6.1,2.25,;6.87,.91,;-11.29,-3.43,;-12.06,-4.76,;-13.6,-4.76,;-14.37,-3.43,;-13.6,-2.1,;-12.06,-2.1,;-11.29,-.76,;-9.75,-.76,;-12.06,.57,;-11.29,1.9,)| | 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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591645
(US11566007, Example A324)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)N1CCC2(CN(C2)C(=O)C#CC(C)(C)N(C)C)C1=O)-c1cccnc1[C@H](C)OC |r,wU:21.39,38.46,67.75,wD:13.18,(-8.84,-7.34,;-9.61,-6.01,;-8.84,-4.68,;-9.75,-3.43,;-8.84,-2.18,;-8.84,-.64,;-7.51,.13,;-6.02,.52,;-6.42,-.96,;-7.37,1.95,;-6.03,2.72,;-6.03,4.26,;-7.37,5.03,;-4.7,5.03,;-4.7,6.57,;-3.36,7.34,;-2.03,6.57,;-2.03,5.03,;-3.36,4.26,;-.7,4.26,;.64,5.03,;-.7,2.72,;-2.03,1.95,;-2.03,.41,;-.7,-.36,;-.7,-1.9,;-2.03,-2.67,;-3.36,-1.94,;-3.36,-.36,;-4.71,-2.66,;-4.71,-4.2,;-6.05,-4.97,;-7.38,-4.2,;-7.38,-2.66,;-6.05,-1.89,;.64,1.95,;1.97,2.72,;1.97,4.26,;3.3,1.95,;3.3,.41,;4.64,-.36,;1.97,-.36,;4.64,2.72,;4.64,4.26,;6.1,4.74,;7.01,3.49,;8.1,2.41,;9.19,3.49,;8.1,4.58,;10.73,3.49,;11.5,4.83,;11.5,2.16,;12.27,.83,;13.04,-.51,;14.37,.26,;14.37,-1.28,;12.27,-1.84,;10.73,-1.84,;13.04,-3.17,;6.1,2.25,;6.87,.91,;-11.29,-3.43,;-12.06,-4.76,;-13.6,-4.76,;-14.37,-3.43,;-13.6,-2.1,;-12.06,-2.1,;-11.29,-.76,;-9.75,-.76,;-12.06,.57,;-11.29,1.9,)| | 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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591647
(US11566007, Example A326)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)N1CCCC1)-c1cccnc1[C@H](C)OC |r,wU:21.39,38.46,69.77,wD:13.18,46.50,(-10.03,-8.13,;-10.8,-6.79,;-10.03,-5.46,;-10.93,-4.21,;-10.03,-2.97,;-10.03,-1.43,;-8.69,-.66,;-7.21,-.26,;-7.6,-1.75,;-8.55,1.17,;-7.22,1.94,;-7.22,3.48,;-8.55,4.25,;-5.88,4.25,;-5.88,5.79,;-4.55,6.56,;-3.21,5.79,;-3.21,4.25,;-4.55,3.48,;-1.88,3.48,;-.55,4.25,;-1.88,1.94,;-3.21,1.17,;-3.21,-.37,;-1.88,-1.14,;-1.88,-2.68,;-3.21,-3.45,;-4.55,-2.72,;-4.55,-1.14,;-5.89,-3.44,;-5.89,-4.98,;-7.23,-5.75,;-8.56,-4.98,;-8.56,-3.44,;-7.23,-2.67,;-.55,1.17,;.79,1.94,;.79,3.48,;2.12,1.17,;2.12,-.37,;3.45,-1.14,;.79,-1.14,;3.45,1.94,;3.45,3.48,;4.79,1.17,;4.79,-.37,;6.12,1.94,;7.59,1.46,;8.49,2.71,;7.59,3.96,;6.12,3.48,;7.98,5.44,;6.9,6.53,;9.47,5.84,;10.96,6.24,;12.45,6.64,;12.85,8.13,;11.36,7.73,;13.54,5.55,;13.06,4.09,;14.31,3.18,;15.55,4.09,;15.08,5.55,;-12.47,-4.21,;-13.24,-5.55,;-14.78,-5.55,;-15.55,-4.21,;-14.78,-2.88,;-13.24,-2.88,;-12.47,-1.55,;-10.93,-1.55,;-13.24,-.21,;-12.47,1.12,)| | 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 NRas [Q61K]
(Homo sapiens (Human)) | BDBM591709
(US11566007, Example A388)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)N1[C@H](C)CN(C[C@H]1C)C(=O)C=C)-c1cccnc1[C@H](C)OC |r,wU:63.70,21.38,37.45,51.57,wD:13.18,46.51,(-8.65,-7.34,;-9.42,-6.01,;-8.65,-4.68,;-9.55,-3.43,;-8.65,-2.18,;-8.65,-.64,;-7.31,.13,;-6.54,-1.21,;-5.77,.13,;-7.17,1.95,;-5.83,2.72,;-5.83,4.26,;-7.17,5.03,;-4.5,5.03,;-4.5,6.57,;-3.17,7.34,;-1.83,6.57,;-1.83,5.03,;-3.17,4.26,;-.5,4.26,;.83,5.03,;-.5,2.72,;-1.83,1.95,;-1.83,.41,;-3.17,-.36,;-3.17,-1.9,;-1.83,-2.67,;-.5,-.36,;-4.51,-2.66,;-4.51,-4.2,;-5.85,-4.97,;-7.18,-4.2,;-7.18,-2.66,;-5.85,-1.89,;.83,1.95,;2.17,2.72,;2.17,4.26,;3.5,1.95,;3.5,.41,;4.84,-.36,;2.17,-.36,;4.84,2.72,;4.84,4.26,;6.17,1.95,;6.17,.41,;7.5,2.72,;7.5,4.26,;6.17,5.03,;8.84,5.03,;10.17,4.26,;10.17,2.72,;8.84,1.95,;8.84,.41,;11.5,5.03,;11.5,6.57,;12.84,4.26,;14.17,5.03,;-11.09,-3.43,;-11.86,-4.76,;-13.4,-4.76,;-14.17,-3.43,;-13.4,-2.1,;-11.86,-2.1,;-11.09,-.76,;-9.55,-.76,;-11.86,.57,;-13.4,.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 NRas
(Homo sapiens (Human)) | BDBM591709
(US11566007, Example A388)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)N1[C@H](C)CN(C[C@H]1C)C(=O)C=C)-c1cccnc1[C@H](C)OC |r,wU:63.70,21.38,37.45,51.57,wD:13.18,46.51,(-8.65,-7.34,;-9.42,-6.01,;-8.65,-4.68,;-9.55,-3.43,;-8.65,-2.18,;-8.65,-.64,;-7.31,.13,;-6.54,-1.21,;-5.77,.13,;-7.17,1.95,;-5.83,2.72,;-5.83,4.26,;-7.17,5.03,;-4.5,5.03,;-4.5,6.57,;-3.17,7.34,;-1.83,6.57,;-1.83,5.03,;-3.17,4.26,;-.5,4.26,;.83,5.03,;-.5,2.72,;-1.83,1.95,;-1.83,.41,;-3.17,-.36,;-3.17,-1.9,;-1.83,-2.67,;-.5,-.36,;-4.51,-2.66,;-4.51,-4.2,;-5.85,-4.97,;-7.18,-4.2,;-7.18,-2.66,;-5.85,-1.89,;.83,1.95,;2.17,2.72,;2.17,4.26,;3.5,1.95,;3.5,.41,;4.84,-.36,;2.17,-.36,;4.84,2.72,;4.84,4.26,;6.17,1.95,;6.17,.41,;7.5,2.72,;7.5,4.26,;6.17,5.03,;8.84,5.03,;10.17,4.26,;10.17,2.72,;8.84,1.95,;8.84,.41,;11.5,5.03,;11.5,6.57,;12.84,4.26,;14.17,5.03,;-11.09,-3.43,;-11.86,-4.76,;-13.4,-4.76,;-14.17,-3.43,;-13.4,-2.1,;-11.86,-2.1,;-11.09,-.76,;-9.55,-.76,;-11.86,.57,;-13.4,.57,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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 NRas [G12C]
(Homo sapiens (Human)) | BDBM591445
(US11566007, Example A123)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)-c1cnccc1[C@H](C)OC |r,wU:21.40,39.47,66.73,wD:13.18,47.51,(-9.89,-8.04,;-10.66,-6.71,;-9.89,-5.38,;-10.8,-4.13,;-9.89,-2.88,;-9.89,-1.34,;-8.56,-.57,;-7.07,-.17,;-7.47,-1.66,;-8.42,1.26,;-7.08,2.03,;-7.08,3.57,;-8.42,4.34,;-5.75,4.34,;-5.75,5.88,;-4.41,6.65,;-3.08,5.88,;-3.08,4.34,;-4.41,3.57,;-1.75,3.57,;-.41,4.34,;-1.75,2.03,;-3.08,1.26,;-3.08,-.28,;-1.75,-1.05,;-1.75,-2.59,;-.41,-3.36,;-3.08,-3.36,;-4.41,-2.59,;-4.41,-1.05,;-5.76,-3.36,;-5.76,-4.9,;-7.1,-5.67,;-8.43,-4.9,;-8.43,-3.36,;-7.1,-2.59,;-.41,1.26,;.92,2.03,;.92,3.57,;2.25,1.26,;2.25,-.28,;3.59,-1.05,;.92,-1.05,;3.59,2.03,;3.59,3.57,;4.92,1.26,;4.92,-.28,;6.25,2.03,;7.72,1.55,;8.62,2.8,;7.72,4.04,;6.25,3.57,;8.49,5.38,;7.72,6.71,;10.03,5.38,;11.57,5.38,;13.11,5.38,;13.88,6.71,;13.11,8.04,;15.42,6.71,;-12.34,-4.13,;-13.11,-5.46,;-14.65,-5.46,;-15.42,-4.13,;-14.65,-2.8,;-13.11,-2.8,;-12.34,-1.46,;-10.8,-1.46,;-13.11,-.13,;-14.65,-.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 NRas [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 NRas [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 NRas [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 | |
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