Compile Data Set for Download or QSAR

Found 1623 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 Show InChI	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| Show InChI	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| Show InChI	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 Show InChI	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| Show InChI	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| Show InChI	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| Show InChI	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 Show InChI	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| Show InChI	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| Show InChI	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 Show InChI	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| Show InChI	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| Show InChI	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| Show InChI	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| Show InChI	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| Show InChI	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| Show InChI	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| Show InChI	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 Show InChI	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 Show InChI	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| Show InChI	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 Show InChI	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 Show InChI	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| Show InChI	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| Show InChI	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| Show InChI	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| Show InChI	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))	CHEMBL5290757 Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	>1	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))	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))	CHEMBL5289987 Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	1	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))	CHEMBL5276699 Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	1	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))	CHEMBL5267786 Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	1	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))	CHEMBL5269272 Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	1	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))	CHEMBL5273122 Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	1	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))	CHEMBL5290459 Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	1	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))	CHEMBL5265862 Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	1	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))	CHEMBL5286301 Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	1	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))	CHEMBL5267786 Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	1	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))	CHEMBL5273122 Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	1	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))	CHEMBL5265862 Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	1	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))	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| Show InChI	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| Show InChI	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))	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| Show InChI	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| Show InChI	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))	CHEMBL5273771 Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	>1	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))	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| Show InChI	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| Show InChI	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| Show InChI	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| Show InChI	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

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