Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50014776 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 KRas
(Homo sapiens (Human)) | BDBM50579992
(CHEMBL5080264 | US11702409, Example 69b)Show SMILES COCCn1cc2cc(ccc2n1)-c1nn(C2CC3(C2)CN(C3)C(=O)C=C)c(C)c1-c1c(Cl)c(C)cc2[nH]nc(N)c12 |(88.07,-36.3,;87.02,-35.17,;87.48,-33.7,;86.43,-32.57,;84.93,-32.91,;83.77,-31.89,;82.45,-32.68,;80.99,-32.22,;79.85,-33.25,;80.17,-34.76,;81.64,-35.23,;82.79,-34.19,;84.32,-34.33,;78.39,-32.78,;77.91,-31.32,;76.37,-31.32,;75.47,-30.08,;75.7,-28.56,;74.18,-28.32,;73.95,-29.84,;74.58,-26.83,;73.08,-26.43,;72.69,-27.92,;72.31,-25.1,;73.08,-23.76,;70.77,-25.1,;70,-23.77,;75.9,-32.79,;74.43,-33.27,;77.14,-33.69,;77.16,-35.23,;75.83,-36,;74.5,-35.23,;75.83,-37.54,;74.5,-38.31,;77.16,-38.32,;78.5,-37.54,;79.96,-38.01,;80.87,-36.76,;79.96,-35.52,;79.56,-34.03,;78.5,-35.99,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00643
BindingDB Entry DOI: 10.7270/Q2X3529S |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579992
(CHEMBL5080264 | US11702409, Example 69b)Show SMILES COCCn1cc2cc(ccc2n1)-c1nn(C2CC3(C2)CN(C3)C(=O)C=C)c(C)c1-c1c(Cl)c(C)cc2[nH]nc(N)c12 |(88.07,-36.3,;87.02,-35.17,;87.48,-33.7,;86.43,-32.57,;84.93,-32.91,;83.77,-31.89,;82.45,-32.68,;80.99,-32.22,;79.85,-33.25,;80.17,-34.76,;81.64,-35.23,;82.79,-34.19,;84.32,-34.33,;78.39,-32.78,;77.91,-31.32,;76.37,-31.32,;75.47,-30.08,;75.7,-28.56,;74.18,-28.32,;73.95,-29.84,;74.58,-26.83,;73.08,-26.43,;72.69,-27.92,;72.31,-25.1,;73.08,-23.76,;70.77,-25.1,;70,-23.77,;75.9,-32.79,;74.43,-33.27,;77.14,-33.69,;77.16,-35.23,;75.83,-36,;74.5,-35.23,;75.83,-37.54,;74.5,-38.31,;77.16,-38.32,;78.5,-37.54,;79.96,-38.01,;80.87,-36.76,;79.96,-35.52,;79.56,-34.03,;78.5,-35.99,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00643
BindingDB Entry DOI: 10.7270/Q2X3529S |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579989
(CHEMBL5080777)Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc(CC(C)(C)O)cc1)-c1c(Cl)c(C)cc2[nH]ncc12 |(8.18,-31.59,;9.64,-31.11,;10.89,-32.01,;12.14,-31.1,;11.65,-29.64,;10.11,-29.64,;9.21,-28.4,;9.45,-26.87,;7.93,-26.63,;7.69,-28.16,;8.32,-25.14,;6.83,-24.74,;6.43,-26.24,;6.06,-23.41,;6.82,-22.08,;4.52,-23.42,;3.74,-22.08,;13.6,-31.57,;14.73,-30.54,;16.2,-31,;16.53,-32.51,;18,-32.98,;18.33,-34.49,;19.79,-34.95,;17.19,-35.52,;18.72,-35.97,;15.39,-33.55,;13.92,-33.08,;10.91,-33.55,;9.58,-34.32,;8.25,-33.55,;9.58,-35.87,;8.24,-36.63,;10.91,-36.64,;12.24,-35.86,;13.71,-36.33,;14.62,-35.09,;13.71,-33.84,;12.24,-34.31,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00643
BindingDB Entry DOI: 10.7270/Q2X3529S |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579989
(CHEMBL5080777)Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc(CC(C)(C)O)cc1)-c1c(Cl)c(C)cc2[nH]ncc12 |(8.18,-31.59,;9.64,-31.11,;10.89,-32.01,;12.14,-31.1,;11.65,-29.64,;10.11,-29.64,;9.21,-28.4,;9.45,-26.87,;7.93,-26.63,;7.69,-28.16,;8.32,-25.14,;6.83,-24.74,;6.43,-26.24,;6.06,-23.41,;6.82,-22.08,;4.52,-23.42,;3.74,-22.08,;13.6,-31.57,;14.73,-30.54,;16.2,-31,;16.53,-32.51,;18,-32.98,;18.33,-34.49,;19.79,-34.95,;17.19,-35.52,;18.72,-35.97,;15.39,-33.55,;13.92,-33.08,;10.91,-33.55,;9.58,-34.32,;8.25,-33.55,;9.58,-35.87,;8.24,-36.63,;10.91,-36.64,;12.24,-35.86,;13.71,-36.33,;14.62,-35.09,;13.71,-33.84,;12.24,-34.31,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00643
BindingDB Entry DOI: 10.7270/Q2X3529S |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579987
(CHEMBL5083497 | US11702409, Example 18b)Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2n(CCN3CC[C@H](F)C3)ncc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |r,wD:27.30,(54.94,-11.31,;56.4,-10.83,;57.65,-11.73,;58.9,-10.82,;58.42,-9.35,;56.88,-9.36,;55.97,-8.11,;56.21,-6.59,;54.69,-6.35,;54.45,-7.88,;55.08,-4.86,;53.59,-4.46,;53.19,-5.96,;52.82,-3.13,;53.58,-1.79,;51.28,-3.13,;50.5,-1.8,;60.36,-11.29,;60.68,-12.79,;62.14,-13.26,;63.28,-12.22,;64.82,-12.36,;65.6,-13.68,;64.85,-15.02,;65.63,-16.35,;67.17,-16.48,;67.51,-17.99,;66.19,-18.77,;66.04,-20.31,;65.03,-17.76,;65.42,-10.95,;64.27,-9.93,;62.95,-10.72,;61.48,-10.26,;57.67,-13.27,;56.34,-14.04,;55.01,-13.27,;56.34,-15.58,;55,-16.35,;57.67,-16.35,;59,-15.57,;60.47,-16.05,;61.38,-14.8,;60.47,-13.55,;59,-14.03,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00643
BindingDB Entry DOI: 10.7270/Q2X3529S |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579993
(CHEMBL5085560)Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2N(CCc2c1)C(=O)CN1CC[C@H](F)C1)-c1c(Cl)c(C)cc2[nH]ncc12 |r,wU:32.37,(9.67,-51.19,;11.14,-50.71,;12.39,-51.62,;13.63,-50.71,;13.15,-49.24,;11.61,-49.25,;10.71,-48,;10.94,-46.48,;9.42,-46.24,;9.18,-47.77,;9.82,-44.75,;8.32,-44.35,;7.93,-45.84,;7.55,-43.02,;8.32,-41.68,;6.01,-43.02,;5.24,-41.69,;15.09,-51.17,;15.41,-52.68,;16.88,-53.16,;18.03,-52.11,;19.57,-52.25,;20.18,-50.83,;19.02,-49.82,;17.69,-50.61,;16.23,-50.14,;20.36,-53.58,;21.9,-53.55,;19.6,-54.92,;20.39,-56.24,;19.79,-57.66,;20.95,-58.67,;22.27,-57.89,;23.69,-58.49,;21.93,-56.38,;12.4,-53.16,;11.07,-53.93,;9.74,-53.16,;11.07,-55.47,;9.74,-56.24,;12.4,-56.24,;13.74,-55.46,;15.2,-55.94,;16.11,-54.69,;15.2,-53.44,;13.74,-53.92,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00643
BindingDB Entry DOI: 10.7270/Q2X3529S |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579993
(CHEMBL5085560)Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2N(CCc2c1)C(=O)CN1CC[C@H](F)C1)-c1c(Cl)c(C)cc2[nH]ncc12 |r,wU:32.37,(9.67,-51.19,;11.14,-50.71,;12.39,-51.62,;13.63,-50.71,;13.15,-49.24,;11.61,-49.25,;10.71,-48,;10.94,-46.48,;9.42,-46.24,;9.18,-47.77,;9.82,-44.75,;8.32,-44.35,;7.93,-45.84,;7.55,-43.02,;8.32,-41.68,;6.01,-43.02,;5.24,-41.69,;15.09,-51.17,;15.41,-52.68,;16.88,-53.16,;18.03,-52.11,;19.57,-52.25,;20.18,-50.83,;19.02,-49.82,;17.69,-50.61,;16.23,-50.14,;20.36,-53.58,;21.9,-53.55,;19.6,-54.92,;20.39,-56.24,;19.79,-57.66,;20.95,-58.67,;22.27,-57.89,;23.69,-58.49,;21.93,-56.38,;12.4,-53.16,;11.07,-53.93,;9.74,-53.16,;11.07,-55.47,;9.74,-56.24,;12.4,-56.24,;13.74,-55.46,;15.2,-55.94,;16.11,-54.69,;15.2,-53.44,;13.74,-53.92,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00643
BindingDB Entry DOI: 10.7270/Q2X3529S |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579985
(JDQ-443 | JDQ443 | Jdq 443 | Jdq-443 | Nvp-jdq-443...)Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2n(C)ncc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |(8.62,-12.01,;10.09,-11.52,;11.34,-12.43,;12.58,-11.52,;12.1,-10.05,;10.56,-10.06,;9.66,-8.81,;9.89,-7.29,;8.37,-7.05,;8.13,-8.58,;8.77,-5.56,;7.27,-5.16,;6.88,-6.65,;6.5,-3.83,;7.27,-2.49,;4.96,-3.83,;4.19,-2.5,;14.04,-11.99,;15.18,-10.95,;16.64,-11.42,;16.97,-12.93,;18.31,-13.69,;19.71,-13.06,;18,-15.2,;16.47,-15.37,;15.84,-13.97,;14.37,-13.49,;11.35,-13.97,;10.02,-14.74,;8.69,-13.97,;10.02,-16.28,;8.69,-17.05,;11.35,-17.05,;12.69,-16.27,;14.15,-16.75,;15.06,-15.5,;14.15,-14.25,;12.69,-14.73,)| | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00643
BindingDB Entry DOI: 10.7270/Q2X3529S |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579985
(JDQ-443 | JDQ443 | Jdq 443 | Jdq-443 | Nvp-jdq-443...)Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2n(C)ncc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |(8.62,-12.01,;10.09,-11.52,;11.34,-12.43,;12.58,-11.52,;12.1,-10.05,;10.56,-10.06,;9.66,-8.81,;9.89,-7.29,;8.37,-7.05,;8.13,-8.58,;8.77,-5.56,;7.27,-5.16,;6.88,-6.65,;6.5,-3.83,;7.27,-2.49,;4.96,-3.83,;4.19,-2.5,;14.04,-11.99,;15.18,-10.95,;16.64,-11.42,;16.97,-12.93,;18.31,-13.69,;19.71,-13.06,;18,-15.2,;16.47,-15.37,;15.84,-13.97,;14.37,-13.49,;11.35,-13.97,;10.02,-14.74,;8.69,-13.97,;10.02,-16.28,;8.69,-17.05,;11.35,-17.05,;12.69,-16.27,;14.15,-16.75,;15.06,-15.5,;14.15,-14.25,;12.69,-14.73,)| | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00643
BindingDB Entry DOI: 10.7270/Q2X3529S |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579990
(CHEMBL5081366 | US11702409, Example 52b)Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc(OCCO)cc1)-c1c(Cl)c(C)cc2[nH]ncc12 |(30.48,-32.18,;31.94,-31.7,;33.19,-32.6,;34.43,-31.69,;33.95,-30.23,;32.41,-30.23,;31.51,-28.99,;31.75,-27.46,;30.22,-27.22,;29.99,-28.75,;30.62,-25.73,;29.13,-25.34,;28.73,-26.83,;28.35,-24,;29.12,-22.67,;26.81,-24.01,;26.04,-22.67,;35.9,-32.16,;37.03,-31.13,;38.49,-31.59,;38.83,-33.1,;40.29,-33.57,;41.43,-32.53,;42.9,-33,;44.04,-31.96,;37.69,-34.14,;36.22,-33.67,;33.2,-34.14,;31.88,-34.91,;30.54,-34.14,;31.87,-36.46,;30.54,-37.22,;33.21,-37.23,;34.54,-36.45,;36.01,-36.92,;36.91,-35.68,;36.01,-34.43,;34.54,-34.9,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00643
BindingDB Entry DOI: 10.7270/Q2X3529S |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579990
(CHEMBL5081366 | US11702409, Example 52b)Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc(OCCO)cc1)-c1c(Cl)c(C)cc2[nH]ncc12 |(30.48,-32.18,;31.94,-31.7,;33.19,-32.6,;34.43,-31.69,;33.95,-30.23,;32.41,-30.23,;31.51,-28.99,;31.75,-27.46,;30.22,-27.22,;29.99,-28.75,;30.62,-25.73,;29.13,-25.34,;28.73,-26.83,;28.35,-24,;29.12,-22.67,;26.81,-24.01,;26.04,-22.67,;35.9,-32.16,;37.03,-31.13,;38.49,-31.59,;38.83,-33.1,;40.29,-33.57,;41.43,-32.53,;42.9,-33,;44.04,-31.96,;37.69,-34.14,;36.22,-33.67,;33.2,-34.14,;31.88,-34.91,;30.54,-34.14,;31.87,-36.46,;30.54,-37.22,;33.21,-37.23,;34.54,-36.45,;36.01,-36.92,;36.91,-35.68,;36.01,-34.43,;34.54,-34.9,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00643
BindingDB Entry DOI: 10.7270/Q2X3529S |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579988
(CHEMBL5075960 | US11702409, Example 35b)Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc(cc1)N1CCC1=O)-c1c(Cl)c(C)cc2[nH]ncc12 |(75.29,-12.15,;76.75,-11.66,;78,-12.57,;79.24,-11.66,;78.76,-10.19,;77.22,-10.2,;76.32,-8.95,;76.56,-7.43,;75.03,-7.19,;74.8,-8.72,;75.43,-5.7,;73.94,-5.3,;73.54,-6.8,;73.16,-3.97,;73.93,-2.63,;71.62,-3.97,;70.85,-2.64,;80.71,-12.13,;81.84,-11.09,;83.3,-11.56,;83.64,-13.07,;82.5,-14.11,;81.03,-13.63,;85.1,-13.54,;85.8,-14.91,;87.17,-14.2,;86.46,-12.83,;86.93,-11.36,;78.01,-14.11,;76.69,-14.88,;75.35,-14.11,;76.68,-16.42,;75.35,-17.19,;78.02,-17.19,;79.35,-16.41,;80.82,-16.89,;81.72,-15.64,;80.82,-14.39,;79.35,-14.87,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00643
BindingDB Entry DOI: 10.7270/Q2X3529S |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579988
(CHEMBL5075960 | US11702409, Example 35b)Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc(cc1)N1CCC1=O)-c1c(Cl)c(C)cc2[nH]ncc12 |(75.29,-12.15,;76.75,-11.66,;78,-12.57,;79.24,-11.66,;78.76,-10.19,;77.22,-10.2,;76.32,-8.95,;76.56,-7.43,;75.03,-7.19,;74.8,-8.72,;75.43,-5.7,;73.94,-5.3,;73.54,-6.8,;73.16,-3.97,;73.93,-2.63,;71.62,-3.97,;70.85,-2.64,;80.71,-12.13,;81.84,-11.09,;83.3,-11.56,;83.64,-13.07,;82.5,-14.11,;81.03,-13.63,;85.1,-13.54,;85.8,-14.91,;87.17,-14.2,;86.46,-12.83,;86.93,-11.36,;78.01,-14.11,;76.69,-14.88,;75.35,-14.11,;76.68,-16.42,;75.35,-17.19,;78.02,-17.19,;79.35,-16.41,;80.82,-16.89,;81.72,-15.64,;80.82,-14.39,;79.35,-14.87,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00643
BindingDB Entry DOI: 10.7270/Q2X3529S |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579991
(CHEMBL5078639 | US11702409, Example 56b)Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2CC(CO)Oc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |(54.63,-31.99,;56.1,-31.51,;57.34,-32.41,;58.59,-31.5,;58.11,-30.04,;56.57,-30.04,;55.67,-28.8,;55.9,-27.27,;54.38,-27.04,;54.14,-28.56,;54.78,-25.54,;53.28,-25.15,;52.89,-26.64,;52.51,-23.81,;53.28,-22.48,;50.97,-23.82,;50.2,-22.49,;60.05,-31.97,;61.18,-30.94,;62.65,-31.4,;62.98,-32.91,;64.32,-33.68,;64,-35.19,;65.04,-36.33,;64.56,-37.79,;62.47,-35.35,;61.84,-33.95,;60.37,-33.47,;57.36,-33.95,;56.03,-34.72,;54.7,-33.95,;56.03,-36.26,;54.7,-37.03,;57.36,-37.03,;58.7,-36.25,;60.16,-36.73,;61.07,-35.48,;60.16,-34.23,;58.69,-34.71,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00643
BindingDB Entry DOI: 10.7270/Q2X3529S |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579986
(CHEMBL5076213 | US11702409, Example 2b)Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc(cc1)-n1cncn1)-c1c(Cl)c(C)cc2[nH]ncc12 |(32.12,-12.32,;33.58,-11.84,;34.83,-12.74,;36.07,-11.84,;35.59,-10.37,;34.05,-10.38,;33.15,-9.13,;33.39,-7.61,;31.87,-7.37,;31.63,-8.89,;32.26,-5.88,;30.77,-5.48,;30.37,-6.97,;30,-4.15,;30.76,-2.81,;28.46,-4.15,;27.68,-2.82,;37.54,-12.3,;37.86,-13.81,;39.33,-14.29,;40.47,-13.25,;40.14,-11.74,;38.67,-11.27,;41.94,-13.71,;42.42,-15.17,;43.96,-15.16,;44.43,-13.69,;43.18,-12.79,;34.85,-14.29,;33.52,-15.06,;32.18,-14.29,;33.52,-16.6,;32.18,-17.37,;34.85,-17.37,;36.18,-16.59,;37.65,-17.07,;38.56,-15.82,;37.65,-14.57,;36.18,-15.05,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00643
BindingDB Entry DOI: 10.7270/Q2X3529S |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579987
(CHEMBL5083497 | US11702409, Example 18b)Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2n(CCN3CC[C@H](F)C3)ncc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |r,wD:27.30,(54.94,-11.31,;56.4,-10.83,;57.65,-11.73,;58.9,-10.82,;58.42,-9.35,;56.88,-9.36,;55.97,-8.11,;56.21,-6.59,;54.69,-6.35,;54.45,-7.88,;55.08,-4.86,;53.59,-4.46,;53.19,-5.96,;52.82,-3.13,;53.58,-1.79,;51.28,-3.13,;50.5,-1.8,;60.36,-11.29,;60.68,-12.79,;62.14,-13.26,;63.28,-12.22,;64.82,-12.36,;65.6,-13.68,;64.85,-15.02,;65.63,-16.35,;67.17,-16.48,;67.51,-17.99,;66.19,-18.77,;66.04,-20.31,;65.03,-17.76,;65.42,-10.95,;64.27,-9.93,;62.95,-10.72,;61.48,-10.26,;57.67,-13.27,;56.34,-14.04,;55.01,-13.27,;56.34,-15.58,;55,-16.35,;57.67,-16.35,;59,-15.57,;60.47,-16.05,;61.38,-14.8,;60.47,-13.55,;59,-14.03,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00643
BindingDB Entry DOI: 10.7270/Q2X3529S |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579986
(CHEMBL5076213 | US11702409, Example 2b)Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc(cc1)-n1cncn1)-c1c(Cl)c(C)cc2[nH]ncc12 |(32.12,-12.32,;33.58,-11.84,;34.83,-12.74,;36.07,-11.84,;35.59,-10.37,;34.05,-10.38,;33.15,-9.13,;33.39,-7.61,;31.87,-7.37,;31.63,-8.89,;32.26,-5.88,;30.77,-5.48,;30.37,-6.97,;30,-4.15,;30.76,-2.81,;28.46,-4.15,;27.68,-2.82,;37.54,-12.3,;37.86,-13.81,;39.33,-14.29,;40.47,-13.25,;40.14,-11.74,;38.67,-11.27,;41.94,-13.71,;42.42,-15.17,;43.96,-15.16,;44.43,-13.69,;43.18,-12.79,;34.85,-14.29,;33.52,-15.06,;32.18,-14.29,;33.52,-16.6,;32.18,-17.37,;34.85,-17.37,;36.18,-16.59,;37.65,-17.07,;38.56,-15.82,;37.65,-14.57,;36.18,-15.05,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00643
BindingDB Entry DOI: 10.7270/Q2X3529S |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579991
(CHEMBL5078639 | US11702409, Example 56b)Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2CC(CO)Oc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |(54.63,-31.99,;56.1,-31.51,;57.34,-32.41,;58.59,-31.5,;58.11,-30.04,;56.57,-30.04,;55.67,-28.8,;55.9,-27.27,;54.38,-27.04,;54.14,-28.56,;54.78,-25.54,;53.28,-25.15,;52.89,-26.64,;52.51,-23.81,;53.28,-22.48,;50.97,-23.82,;50.2,-22.49,;60.05,-31.97,;61.18,-30.94,;62.65,-31.4,;62.98,-32.91,;64.32,-33.68,;64,-35.19,;65.04,-36.33,;64.56,-37.79,;62.47,-35.35,;61.84,-33.95,;60.37,-33.47,;57.36,-33.95,;56.03,-34.72,;54.7,-33.95,;56.03,-36.26,;54.7,-37.03,;57.36,-37.03,;58.7,-36.25,;60.16,-36.73,;61.07,-35.48,;60.16,-34.23,;58.69,-34.71,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00643
BindingDB Entry DOI: 10.7270/Q2X3529S |
More data for this
Ligand-Target Pair | |
Search and Browse
