Found 4 hits for monomerid = 50579992 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)) | 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 [G12C]
(Homo sapiens (Human)) | BDBM50579992
(CHEMBL5080264 | US11702409, Example 69b)Show SMILES COCCn1cc2cc(ccc2n1)-c1nn(C2CC3(C2)CN(C3)C(=O)C=C)c(C)c1-c1c(Cl)c(C)cc2[nH]nc(N)c12 |(88.07,-36.3,;87.02,-35.17,;87.48,-33.7,;86.43,-32.57,;84.93,-32.91,;83.77,-31.89,;82.45,-32.68,;80.99,-32.22,;79.85,-33.25,;80.17,-34.76,;81.64,-35.23,;82.79,-34.19,;84.32,-34.33,;78.39,-32.78,;77.91,-31.32,;76.37,-31.32,;75.47,-30.08,;75.7,-28.56,;74.18,-28.32,;73.95,-29.84,;74.58,-26.83,;73.08,-26.43,;72.69,-27.92,;72.31,-25.1,;73.08,-23.76,;70.77,-25.1,;70,-23.77,;75.9,-32.79,;74.43,-33.27,;77.14,-33.69,;77.16,-35.23,;75.83,-36,;74.5,-35.23,;75.83,-37.54,;74.5,-38.31,;77.16,-38.32,;78.5,-37.54,;79.96,-38.01,;80.87,-36.76,;79.96,-35.52,;79.56,-34.03,;78.5,-35.99,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20V8HXK |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12C]
(Homo sapiens (Human)) | BDBM50579992
(CHEMBL5080264 | US11702409, Example 69b)Show SMILES COCCn1cc2cc(ccc2n1)-c1nn(C2CC3(C2)CN(C3)C(=O)C=C)c(C)c1-c1c(Cl)c(C)cc2[nH]nc(N)c12 |(88.07,-36.3,;87.02,-35.17,;87.48,-33.7,;86.43,-32.57,;84.93,-32.91,;83.77,-31.89,;82.45,-32.68,;80.99,-32.22,;79.85,-33.25,;80.17,-34.76,;81.64,-35.23,;82.79,-34.19,;84.32,-34.33,;78.39,-32.78,;77.91,-31.32,;76.37,-31.32,;75.47,-30.08,;75.7,-28.56,;74.18,-28.32,;73.95,-29.84,;74.58,-26.83,;73.08,-26.43,;72.69,-27.92,;72.31,-25.1,;73.08,-23.76,;70.77,-25.1,;70,-23.77,;75.9,-32.79,;74.43,-33.27,;77.14,-33.69,;77.16,-35.23,;75.83,-36,;74.5,-35.23,;75.83,-37.54,;74.5,-38.31,;77.16,-38.32,;78.5,-37.54,;79.96,-38.01,;80.87,-36.76,;79.96,-35.52,;79.56,-34.03,;78.5,-35.99,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20V8HXK |
More data for this
Ligand-Target Pair | |
GTPase KRas
(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 | |
Search and Browse
