Found 2 hits for monomerid = 50514383 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)) | BDBM50514383
(CHEMBL4554946)Show SMILES CCc1cccc(CC)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(54.65,-47.19,;54.64,-45.66,;55.97,-44.88,;57.31,-45.65,;58.64,-44.87,;58.62,-43.32,;57.29,-42.57,;57.28,-41.03,;58.6,-40.25,;55.97,-43.34,;54.63,-42.58,;54.63,-41.04,;55.97,-40.27,;55.96,-38.71,;54.62,-37.95,;54.62,-36.41,;53.29,-38.72,;53.29,-40.27,;51.97,-41.03,;51.96,-42.57,;53.29,-43.34,;53.29,-44.88,;50.64,-40.26,;50.65,-38.71,;49.33,-37.94,;47.98,-38.7,;47.97,-40.24,;49.31,-41.03,;49.3,-42.57,;46.65,-37.92,;46.66,-36.38,;45.31,-38.68,;43.97,-37.9,;57.29,-37.94,;58.63,-38.71,;59.96,-39.47,;59.97,-37.94,;59.96,-36.39,;58.61,-35.62,;57.28,-36.41,;55.94,-35.64,)| Show InChI InChI=1S/C31H31ClFN5O3/c1-5-19-10-8-11-20(6-2)28(19)38-30-21(16-22(32)27(34-30)26-23(33)12-9-13-24(26)39)29(35-31(38)41)37-15-14-36(17-18(37)4)25(40)7-3/h7-13,16,18,39H,3,5-6,14-15,17H2,1-2,4H3/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of KRAS in human MIAPaca2 cells assessed as decrease in EGF-stimulated ERK1/2 phosphorylation preincubated for 2 hrs followed by EGF stimu... |
J Med Chem 63: 52-65 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01180 |
More data for this Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50514383
(CHEMBL4554946)Show SMILES CCc1cccc(CC)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(54.65,-47.19,;54.64,-45.66,;55.97,-44.88,;57.31,-45.65,;58.64,-44.87,;58.62,-43.32,;57.29,-42.57,;57.28,-41.03,;58.6,-40.25,;55.97,-43.34,;54.63,-42.58,;54.63,-41.04,;55.97,-40.27,;55.96,-38.71,;54.62,-37.95,;54.62,-36.41,;53.29,-38.72,;53.29,-40.27,;51.97,-41.03,;51.96,-42.57,;53.29,-43.34,;53.29,-44.88,;50.64,-40.26,;50.65,-38.71,;49.33,-37.94,;47.98,-38.7,;47.97,-40.24,;49.31,-41.03,;49.3,-42.57,;46.65,-37.92,;46.66,-36.38,;45.31,-38.68,;43.97,-37.9,;57.29,-37.94,;58.63,-38.71,;59.96,-39.47,;59.97,-37.94,;59.96,-36.39,;58.61,-35.62,;57.28,-36.41,;55.94,-35.64,)| Show InChI InChI=1S/C31H31ClFN5O3/c1-5-19-10-8-11-20(6-2)28(19)38-30-21(16-22(32)27(34-30)26-23(33)12-9-13-24(26)39)29(35-31(38)41)37-15-14-36(17-18(37)4)25(40)7-3/h7-13,16,18,39H,3,5-6,14-15,17H2,1-2,4H3/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of GDP bound recombinant human His-tagged KRAS G12C/C118A mutant (1 to 169 residues) assessed as reduction in SOS1-mediated GDP/GTP nucleo... |
J Med Chem 63: 52-65 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01180 |
More data for this Ligand-Target Pair | |