Found 12 hits of ec50 data for polymerid = 50006227 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)) | BDBM50586341
(CHEMBL5077647)Show SMILES C[C@@H]1Cc2c(C[C@H]1c1c(F)c(N)cc(C)c1C(F)(F)F)nc(OC[C@@H]1CCCN1C)nc2N1CCN(C[C@@H]1C)C(=O)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 | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of KRAS G12C mutant in human HCC1171 cells assessed as effect on cell alkylation measured after 18 hrs by western blot analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00152 BindingDB Entry DOI: 10.7270/Q23R0XR5 |
More data for this Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50586342
(CHEMBL5092687)Show SMILES C[C@@H]1Cc2c(C[C@H]1c1nc(N)cc(C)c1C(F)(F)F)nc(OC[C@@H]1CCCN1C)nc2N1CCN(C[C@@H]1C)C(=O)C=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 | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of KRAS G12C mutant in human HCC1171 cells assessed as effect on cell alkylation measured after 18 hrs by western blot analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00152 BindingDB Entry DOI: 10.7270/Q23R0XR5 |
More data for this Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50586343
(CHEMBL5074707)Show SMILES C[C@@H]1Cc2c(C[C@H]1c1cc(O)cc3ccccc13)nc(OC[C@@H]1CCCN1C)nc2N1CCN(C[C@@H]1C)C(=O)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 | n/a | n/a | <6.10 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of KRAS G12C mutant in human HCC1171 cells assessed as effect on cell alkylation measured after 18 hrs by western blot analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00152 BindingDB Entry DOI: 10.7270/Q23R0XR5 |
More data for this Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50586344
(CHEMBL5073894)Show SMILES C[C@@H]1Cc2c(C[C@H]1c1c(F)c(N)ccc1C(F)(F)F)nc(OC[C@@H]1CCCN1C)nc2N1CCN(C[C@@H]1C)C(=O)C=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 | n/a | n/a | 6.60 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of KRAS G12C mutant in human HCC1171 cells assessed as effect on cell alkylation measured after 18 hrs by western blot analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00152 BindingDB Entry DOI: 10.7270/Q23R0XR5 |
More data for this Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50539763
(Adagrasib | Mrtx-849 | Mrtx849)Show SMILES CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C(F)=C)c1cccc2cccc(Cl)c12 Show InChI InChI=1S/C32H35ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,23-24H,1,5,8,11-12,14-20H2,2H3/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 | n/a | n/a | 10 | 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 KRas
(Homo sapiens (Human)) | BDBM50586345
(CHEMBL5090056)Show SMILES C[C@@H]1Cc2c(C[C@H]1c1cc(O)cc3ccccc13)nc(OC[C@@H]1C[C@H](F)CN1C)nc2N1CCN(C[C@@H]1C)C(=O)C=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 | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of KRAS G12C mutant in human HCC1171 cells assessed as effect on cell alkylation measured after 18 hrs by western blot analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00152 BindingDB Entry DOI: 10.7270/Q23R0XR5 |
More data for this Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50549221
(CHEMBL4293433) | 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 | n/a | n/a | 320 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of KRas G12C mutant in human NCI-H1792 cells assessed as antiproliferative activity incubated for 3 days by CellTiter-Glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01312 BindingDB Entry DOI: 10.7270/Q2T1578S |
More data for this Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50139187
(4-(2-cyclohexylethyl)-23-oxo-8-oxa-1,15,17,21-tetr...)Show SMILES O=C1CN2CCN1Cc1cc(Oc3cc(Cn4cncc4C2)ccc3C#N)ccc1CCC1CCCCC1 Show InChI InChI=1S/C31H35N5O2/c32-16-26-9-7-24-14-30(26)38-29-11-10-25(8-6-23-4-2-1-3-5-23)27(15-29)19-35-13-12-34(21-31(35)37)20-28-17-33-22-36(28)18-24/h7,9-11,14-15,17,22-23H,1-6,8,12-13,18-21H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a |
Universite£ de Sherbrooke
Curated by ChEMBL
| Assay Description Inhibition of Ki-Ras |
J Med Chem 54: 1961-2004 (2011)
Article DOI: 10.1021/jm1012374 BindingDB Entry DOI: 10.7270/Q28C9XDV |
More data for this Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50586346
(CHEMBL5079099)Show SMILES C[C@H]1CN(CCN1c1nc(OCc2cn(C)cn2)nc2C[C@H](CCc12)c1cc(O)cc2ccccc12)C(=O)C=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 | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of KRAS G12C mutant in human HCC1171 cells assessed as effect on cell alkylation measured after 18 hrs by western blot analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00152 BindingDB Entry DOI: 10.7270/Q23R0XR5 |
More data for this Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50101929
(3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...)Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13 Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Universite£ de Sherbrooke
Curated by ChEMBL
| Assay Description Inhibition of Ki-Ras |
J Med Chem 54: 1961-2004 (2011)
Article DOI: 10.1021/jm1012374 BindingDB Entry DOI: 10.7270/Q28C9XDV |
More data for this Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50436053
(CHEMBL2396992)Show InChI InChI=1S/C11H12Cl2N2/c1-6-8(2-3-14)11-9(13)4-7(12)5-10(11)15-6/h4-5,15H,2-3,14H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of KRas activation in HEK 293T-REx Flp-In cells harboring Venus-RBD-CRD/mCherry-CAAX assessed as reduction in Venus-RBD-CRD recruitment to... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01312 BindingDB Entry DOI: 10.7270/Q2T1578S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
GTPase KRas
(Homo sapiens (Human)) | BDBM50549220
(CHEMBL4795772)Show SMILES CCCC(CCC)COC(=O)[C@@H](C)NP(=O)(OCCNC(=O)CCl)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2C1N=C(N)NC2=O |r,c:39,t:44| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 2.66E+4 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of KRas G12C mutant in human H358 cells assessed as antiproliferative activity incubated for 3 days by CellTiter-Glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01312 BindingDB Entry DOI: 10.7270/Q2T1578S |
More data for this Ligand-Target Pair | |