Found 1561 hits of ic50 data for polymerid = 50006227 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
(Homo sapiens (Human)) | BDBM50579603
(CHEMBL4855757 | US11453683, Example 384 | US202302...)Show SMILES Oc1cc(-c2ncc3c(nc(OCC45CCCN4C(CF)CC5)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Cy5-labelled tracer from biotinylated GDP-loaded human recombinant KRAS G12D mutant (1 to 169 residues) measured after 60 mins by TR-... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00545
BindingDB Entry DOI: 10.7270/Q2V69PDH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579600
(CHEMBL4857438 | US11453683, Example 251 | US202302...)Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(Cl)cccc2c1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Cy5-labelled tracer from biotinylated GDP-loaded human recombinant KRAS G12D mutant (1 to 169 residues) measured after 60 mins by TR-... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00545
BindingDB Entry DOI: 10.7270/Q2V69PDH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM629369
(US20230339981, Example 53 | US20240025919, Compoun...)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(O)cc2ccc(F)c(C#C)c12 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.296 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579595
(CHEMBL4863339 | US11453683, Example 185 | US202302...)Show SMILES Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(cccc2c1)C#C | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Cy5-labelled tracer from biotinylated GDP-loaded human recombinant KRAS G12D mutant (1 to 169 residues) measured after 60 mins by TR-... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00545
BindingDB Entry DOI: 10.7270/Q2V69PDH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM647784
(US20240025919, Compound 11)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(O)cc2cccc(C#C)c12 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579601
(CHEMBL4858364 | US11453683, Example 252 | US202302...)Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(C#C)c(F)ccc2c1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Cy5-labelled tracer from biotinylated GDP-loaded human recombinant KRAS G12D mutant (1 to 169 residues) measured after 60 mins by TR-... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00545
BindingDB Entry DOI: 10.7270/Q2V69PDH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579597
(CHEMBL4876040 | US11453683, Example 243 | US202302...)Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(cccc2c1)C#C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Cy5-labelled tracer from biotinylated GDP-loaded human recombinant KRAS G12D mutant (1 to 169 residues) measured after 60 mins by TR-... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00545
BindingDB Entry DOI: 10.7270/Q2V69PDH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579594
(CHEMBL4859236 | US11453683, Example 36 | US2023027...)Show SMILES Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(Cl)cccc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Cy5-labelled tracer from biotinylated GDP-loaded human recombinant KRAS G12D mutant (1 to 169 residues) measured after 60 mins by TR-... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00545
BindingDB Entry DOI: 10.7270/Q2V69PDH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM647788
(US20240025919, Compound 15)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(F)c1C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.448 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM647779
(US20240025919, Compound 6)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579598
(CHEMBL4857719 | US11453683, Example 245 | US202302...)Show SMILES Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(Cl)c(F)ccc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Cy5-labelled tracer from biotinylated GDP-loaded human recombinant KRAS G12D mutant (1 to 169 residues) measured after 60 mins by TR-... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00545
BindingDB Entry DOI: 10.7270/Q2V69PDH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50572112
(CHEMBL4855521)Show SMILES [2H]C1([2H])Oc2ccc(F)c(F)c2-c2nc3n(-c4c(OC1([2H])[2H])ccnc4C(C)C)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c3cc2Cl |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of biotinylated KRAS G12C/C51S/C80L/C118S mutant (unknown origin) pretreated for 60 mins followed by recombinant SOS addition by SOS-catal... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00389
BindingDB Entry DOI: 10.7270/Q25M69H3 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50572114
(CHEMBL4852458)Show SMILES CC(C)c1ncnc2CCCOc3ccc(F)c(F)c3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3Cl |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of biotinylated KRAS G12C/C51S/C80L/C118S mutant (unknown origin) pretreated for 60 mins followed by recombinant SOS addition by SOS-catal... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00389
BindingDB Entry DOI: 10.7270/Q25M69H3 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM647776
(US20240025919, Compound 3)Show SMILES Oc1cc(-c2nc3OC[C@@H]4[C@@H]5CC[C@H](CN4c4nc(OC[C@@]67CCCN6C[C@H](F)C7)nc(c2F)c34)N5)c2c(cccc2c1)C#C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.517 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM647790
(US20240025919, Compound 17)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)cc(F)c1C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.559 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50572118
(CHEMBL4856277)Show SMILES CC(C)c1nccc2CCC(F)(F)COc3cccc(F)c3-c3nc4n(-c12)c(=O)nc(N1CCN(C[C@@H]1C)C(=O)C=C)c4cc3Cl |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of biotinylated KRAS G12C/C51S/C80L/C118S mutant (unknown origin) pretreated for 60 mins followed by recombinant SOS addition by SOS-catal... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00389
BindingDB Entry DOI: 10.7270/Q25M69H3 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM647805
(US20240025919, Compound 32)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@@H](C5)OCc4ccc(cc4)-c4ccccc4C#N)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.579 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579599
(CHEMBL4874297 | US11453683, Example 246 | US202302...)Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(F)c(F)ccc2c1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Cy5-labelled tracer from biotinylated GDP-loaded human recombinant KRAS G12D mutant (1 to 169 residues) measured after 60 mins by TR-... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00545
BindingDB Entry DOI: 10.7270/Q2V69PDH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579596
(CHEMBL4867851 | US11453683, Example 232 | US202302...)Show SMILES Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(C#C)c(F)ccc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Cy5-labelled tracer from biotinylated GDP-loaded human recombinant KRAS G12D mutant (1 to 169 residues) measured after 60 mins by TR-... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00545
BindingDB Entry DOI: 10.7270/Q2V69PDH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579604
(CHEMBL4876243 | US11453683, Example 388 | US202302...)Show SMILES COC1CN2CCCC2(COc2nc(N3CC4CCC(C3)N4)c3cnc(c(F)c3n2)-c2cc(O)cc3cccc(F)c23)C1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Cy5-labelled tracer from biotinylated GDP-loaded human recombinant KRAS G12D mutant (1 to 169 residues) measured after 60 mins by TR-... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00545
BindingDB Entry DOI: 10.7270/Q2V69PDH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM647789
(US20240025919, Compound 16)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)cc(C)c1C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.668 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50576730
(CHEMBL4869200 | US20230348495, Example 9)Show SMILES Oc1cc(N2CCc3c(C2)nc(OCC2(CN4CCOCC4)CC2)nc3N2CC3CCC(C2)N3)c2c(I)cccc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant his-tagged KRAS G12D mutant (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of GDP-GTP exch... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00390
BindingDB Entry DOI: 10.7270/Q2Q52TFC |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50576728
(CHEMBL4849611 | US20230348495, Example 7)Show SMILES CN(C)CC1(COc2nc3CN(CCc3c(n2)N2CC3CCC(C2)N3)c2cc(O)cc3cccc(I)c23)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant his-tagged KRAS G12D mutant (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of GDP-GTP exch... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00390
BindingDB Entry DOI: 10.7270/Q2Q52TFC |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579602
(CHEMBL4863371 | US11453683, Example 253 | US202302...)Show SMILES CCc1c(F)ccc2cc(O)cc(-c3ncc4c(nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)N3CC4CCC(C3)N4)c12 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Cy5-labelled tracer from biotinylated GDP-loaded human recombinant KRAS G12D mutant (1 to 169 residues) measured after 60 mins by TR-... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00545
BindingDB Entry DOI: 10.7270/Q2V69PDH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50567176
(CHEMBL4856826)Show SMILES C[C@H](CN(C)C)NC(=O)c1cc(N2CCN([C@@H](CC#N)C2)C(=O)C=C)c2CCN(Cc2n1)c1c(Cl)c(C)cc2[nH]ncc12 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of biotinylated KRAS G12C mutant (unknown origin) assessed as inhibition of SOS-catalyzed nucleotide exchange preincubated for 60 mins fol... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00321
BindingDB Entry DOI: 10.7270/Q2FN19ZV |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50576729
(CHEMBL4876274 | US20230348495, Example 8)Show SMILES Oc1cc(N2CCc3c(C2)nc(OCC2(CN4CC[C@@H](F)C4)CC2)nc3N2CC3CCC(C2)N3)c2c(I)cccc2c1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant his-tagged KRAS G12D mutant (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of GDP-GTP exch... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00390
BindingDB Entry DOI: 10.7270/Q2Q52TFC |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50572113
(CHEMBL4879271)Show SMILES CC(C)c1nccc2OCC(F)(F)COc3cccc(F)c3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3Cl |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of biotinylated KRAS G12C/C51S/C80L/C118S mutant (unknown origin) pretreated for 60 mins followed by recombinant SOS addition by SOS-catal... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00389
BindingDB Entry DOI: 10.7270/Q25M69H3 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50597321
(CHEMBL5177687)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1[C@@H](CC=C)CCN1CC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCC)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](C)CC |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00154
BindingDB Entry DOI: 10.7270/Q2Q24491 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50539762
(CHEMBL4632935)Show SMILES CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C)c1cccc2cccc(C)c12 |r| Show InChI InChI=1S/C33H39N7O2/c1-4-30(41)40-19-18-39(20-25(40)13-15-34)32-27-14-17-38(29-12-6-10-24-9-5-8-23(2)31(24)29)21-28(27)35-33(36-32)42-22-26-11-7-16-37(26)3/h4-6,8-10,12,25-26H,1,7,11,13-14,16-22H2,2-3H3/t25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of KRAS G12C mutant in human NCI-H358 cells assessed as reduction in ERK phosphorylation incubated for 3 hrs by in-cell western method |
J Med Chem 63: 6679-6693 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02052
BindingDB Entry DOI: 10.7270/Q2G164C5 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50597323
(CHEMBL5185010)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1[C@@H](CCN1C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)c1ccccc1)[C@@H](C)CC |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00154
BindingDB Entry DOI: 10.7270/Q2Q24491 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50597324
(CHEMBL5175141)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1[C@H](CCN1C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN=[N+]=[N-])NC(C)=O)c1ccccc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00154
BindingDB Entry DOI: 10.7270/Q2Q24491 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50597322
(CHEMBL5175409)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1[C@@H](CCN1C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN=[N+]=[N-])NC(C)=O)c1ccccc1)[C@@H](C)CC |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00154
BindingDB Entry DOI: 10.7270/Q2Q24491 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50539761
(CHEMBL4648852)Show SMILES CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C)c1cccc2cccc(Cl)c12 |r| Show InChI InChI=1S/C32H36ClN7O2/c1-3-29(41)40-18-17-39(19-23(40)12-14-34)31-25-13-16-38(28-11-5-8-22-7-4-10-26(33)30(22)28)20-27(25)35-32(36-31)42-21-24-9-6-15-37(24)2/h3-5,7-8,10-11,23-24H,1,6,9,12-13,15-21H2,2H3/t23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of KRAS G12C mutant in human NCI-H358 cells assessed as reduction in ERK phosphorylation incubated for 3 hrs by in-cell western method |
J Med Chem 63: 6679-6693 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02052
BindingDB Entry DOI: 10.7270/Q2G164C5 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50567170
(CHEMBL4874744)Show SMILES CN(C)[C@@H]1CCC[C@H]1NC(=O)c1cc(N2CCN([C@@H](CC#N)C2)C(=O)C=C)c2CCN(Cc2n1)c1cccc2cccc(C)c12 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of biotinylated KRAS G12C mutant (unknown origin) assessed as inhibition of SOS-catalyzed nucleotide exchange preincubated for 60 mins fol... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00321
BindingDB Entry DOI: 10.7270/Q2FN19ZV |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50597320
(CHEMBL5172862)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1[C@H](CCN1CC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCC)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)c1ccccc1)[C@@H](C)CC |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00154
BindingDB Entry DOI: 10.7270/Q2Q24491 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50597319
(CHEMBL5189930)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1[C@@H](CC=C)CCN1CC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](C)CC |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00154
BindingDB Entry DOI: 10.7270/Q2Q24491 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50597318
(CHEMBL5182829)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1[C@H](CCN1CC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)c1ccccc1)[C@@H](C)CC |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00154
BindingDB Entry DOI: 10.7270/Q2Q24491 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50597307
(CHEMBL5172805)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1[C@H](CCN1C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)c1ccccc1)[C@@H](C)CC |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00154
BindingDB Entry DOI: 10.7270/Q2Q24491 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50597305
(CHEMBL5205422)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)OCC=C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00154
BindingDB Entry DOI: 10.7270/Q2Q24491 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50572111
(CHEMBL4875422)Show SMILES CC(C)c1nccc2OCCOc3c(F)ccc(F)c3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3Cl |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of biotinylated KRAS G12C/C51S/C80L/C118S mutant (unknown origin) pretreated for 60 mins followed by recombinant SOS addition by SOS-catal... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00389
BindingDB Entry DOI: 10.7270/Q25M69H3 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50576726
(CHEMBL4872714 | US20230348495, Example 3)Show SMILES Oc1cc(N2CCc3c(C2)nc(OCC2(CN4CCOCC4)CC2)nc3N2CC3CCC(C2)N3)c2c(Br)cccc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant his-tagged KRAS G12D mutant (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of GDP-GTP exch... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00390
BindingDB Entry DOI: 10.7270/Q2Q52TFC |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50572117
(CHEMBL4863593)Show SMILES CC(C)c1nccc2C(C)CCOc3ccc(F)c(F)c3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of biotinylated KRAS G12C/C51S/C80L/C118S mutant (unknown origin) pretreated for 60 mins followed by recombinant SOS addition by SOS-catal... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00389
BindingDB Entry DOI: 10.7270/Q25M69H3 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50576725
(CHEMBL4875572 | US20230348495, Example 2)Show SMILES Oc1cc(N2CCc3c(C2)nc(OCC2(CN4CC[C@@H](F)C4)CC2)nc3N2CC3CCC(C2)N3)c2c(Br)cccc2c1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant his-tagged KRAS G12D mutant (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of GDP-GTP exch... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00390
BindingDB Entry DOI: 10.7270/Q2Q52TFC |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM647804
(US20240025919, Compound 31)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@H]4CC[C@H]5COCCN45)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.55 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM647821
(US20240025919, Compound 50)Show SMILES Oc1cc(-c2nc3OC[C@@H]4[C@@H]5CC[C@H](CN4c4nc(OC[C@@]67CCCN6C[C@H](F)C7)nc(c2F)c34)N(CCCF)C5)c2c(cccc2c1)C#C |r,THB:36:35:15.9.14:11.12| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.69 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50572115
(CHEMBL4864188)Show SMILES CC(C)c1nccc2CCCOc3cccc(F)c3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of biotinylated KRAS G12C/C51S/C80L/C118S mutant (unknown origin) pretreated for 60 mins followed by recombinant SOS addition by SOS-catal... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00389
BindingDB Entry DOI: 10.7270/Q25M69H3 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM647792
(US20240025919, Compound 19)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@]45CCN4CC(F)(F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(O)cc2cccc(C#C)c12 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.83 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579589
(CHEMBL4859820)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(N2CCN(CC2)C(=O)C=C)c(C#N)c1=O)-c1c(N)c(Cl)cc(Cl)c1F |(68.65,-18.49,;67.31,-17.72,;67.3,-16.18,;65.98,-18.5,;65.98,-20.05,;64.65,-20.82,;63.31,-20.05,;63.32,-18.51,;61.98,-17.74,;64.64,-17.74,;64.64,-14.97,;63.31,-14.21,;61.98,-14.98,;60.65,-14.21,;60.64,-12.68,;59.3,-11.92,;61.96,-11.9,;63.31,-12.67,;64.64,-11.89,;64.63,-10.35,;65.98,-9.59,;65.98,-8.05,;64.65,-7.28,;63.31,-8.05,;63.31,-9.59,;64.65,-5.74,;63.32,-4.97,;65.98,-4.97,;65.99,-3.43,;65.97,-12.67,;67.3,-11.9,;68.63,-11.13,;65.97,-14.21,;67.31,-14.98,;59.32,-14.99,;57.99,-14.22,;57.98,-12.68,;56.66,-15,;55.32,-14.23,;56.66,-16.54,;57.99,-17.31,;57.99,-18.85,;59.33,-16.54,;60.66,-17.31,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of GDP-loaded His-tagged KRAS G12C mutant (2 to 182 residues) (unknown origin) assessed as inhibition of SOS1-catalyzed nucleotide exchang... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00496
BindingDB Entry DOI: 10.7270/Q2ZW1QSN |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579589
(CHEMBL4859820)Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(N2CCN(CC2)C(=O)C=C)c(C#N)c1=O)-c1c(N)c(Cl)cc(Cl)c1F |(68.65,-18.49,;67.31,-17.72,;67.3,-16.18,;65.98,-18.5,;65.98,-20.05,;64.65,-20.82,;63.31,-20.05,;63.32,-18.51,;61.98,-17.74,;64.64,-17.74,;64.64,-14.97,;63.31,-14.21,;61.98,-14.98,;60.65,-14.21,;60.64,-12.68,;59.3,-11.92,;61.96,-11.9,;63.31,-12.67,;64.64,-11.89,;64.63,-10.35,;65.98,-9.59,;65.98,-8.05,;64.65,-7.28,;63.31,-8.05,;63.31,-9.59,;64.65,-5.74,;63.32,-4.97,;65.98,-4.97,;65.99,-3.43,;65.97,-12.67,;67.3,-11.9,;68.63,-11.13,;65.97,-14.21,;67.31,-14.98,;59.32,-14.99,;57.99,-14.22,;57.98,-12.68,;56.66,-15,;55.32,-14.23,;56.66,-16.54,;57.99,-17.31,;57.99,-18.85,;59.33,-16.54,;60.66,-17.31,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.95 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of GDP-loaded His-tagged KRAS G12C mutant (2 to 182 residues) (unknown origin) assessed as inhibition of SOS1-catalyzed nucleotide exchang... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00496
BindingDB Entry DOI: 10.7270/Q2ZW1QSN |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50585402
(CHEMBL5081048)Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1nc(OC[C@@]34CCCN3C[C@H](F)C4)nc3c(F)c(ncc13)-c1cc(O)cc3ccc(F)c(C#C)c13)N2 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of KRAS G12D mutant in human AGS cells assessed as reduction in ERK phosphorylation measured after 3 hrs by In-Cell Western assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01688
BindingDB Entry DOI: 10.7270/Q2TM7G15 |
More data for this
Ligand-Target Pair | |
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