Compile Data Set for Download or QSAR

Found 7224 hits for UniProtKB: P01116   

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))	BDBM50501345 (CHEMBL3958857) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H21ClN6O12P2/c15-3-7(22)17-1-2-30-34(26,27)33-35(28,29)31-4-6-9(23)10(24)13(32-6)21-5-18-8-11(21)19-14(16)20-12(8)25/h5-6,9-10,13,23-24H,1-4H2,(H,17,22)(H,26,27)(H,28,29)(H3,16,19,20,25)/t6-,9-,10-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501343 (CHEMBL3922435) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OCCNC(=O)C=C)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H22N6O12P2/c1-2-8(22)17-3-4-30-34(26,27)33-35(28,29)31-5-7-10(23)11(24)14(32-7)21-6-18-9-12(21)19-15(16)20-13(9)25/h2,6-7,10-11,14,23-24H,1,3-5H2,(H,17,22)(H,26,27)(H,28,29)(H3,16,19,20,25)/t7-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501342 (CHEMBL3904433) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OCCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H25ClN6O11P2/c17-4-9(24)19-2-1-3-32-35(28,29)7-36(30,31)33-5-8-11(25)12(26)15(34-8)23-6-20-10-13(23)21-16(18)22-14(10)27/h6,8,11-12,15,25-26H,1-5,7H2,(H,19,24)(H,28,29)(H,30,31)(H3,18,21,22,27)/t8-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	374	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501347 (CHEMBL3935647) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)C(F)(F)P(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H21ClF2N6O11P2/c16-3-7(25)20-1-2-33-36(29,30)15(17,18)37(31,32)34-4-6-9(26)10(27)13(35-6)24-5-21-8-11(24)22-14(19)23-12(8)28/h5-6,9-10,13,26-27H,1-4H2,(H,20,25)(H,29,30)(H,31,32)(H3,19,22,23,28)/t6-,9-,10-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501344 (CHEMBL3932440) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)C(F)(F)P(O)(=O)OCCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H23ClF2N6O11P2/c17-4-8(26)21-2-1-3-34-37(30,31)16(18,19)38(32,33)35-5-7-10(27)11(28)14(36-7)25-6-22-9-12(25)23-15(20)24-13(9)29/h6-7,10-11,14,27-28H,1-5H2,(H,21,26)(H,30,31)(H,32,33)(H3,20,23,24,29)/t7-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	382	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501341 (CHEMBL3897666) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OC2CCN(C2)C(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H25ClN6O11P2/c18-3-10(25)23-2-1-8(4-23)35-37(31,32)7-36(29,30)33-5-9-12(26)13(27)16(34-9)24-6-20-11-14(24)21-17(19)22-15(11)28/h6,8-9,12-13,16,26-27H,1-5,7H2,(H,29,30)(H,31,32)(H3,19,21,22,28)/t8?,9-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501332 (CHEMBL3982443) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CS(=O)(=O)NCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H23ClN7O10PS/c16-3-8(24)18-1-2-20-35(30,31)6-34(28,29)32-4-7-10(25)11(26)14(33-7)23-5-19-9-12(23)21-15(17)22-13(9)27/h5,7,10-11,14,20,25-26H,1-4,6H2,(H,18,24)(H,28,29)(H3,17,21,22,27)/t7-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501335 (CHEMBL3940601) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COC(=O)CP(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H22ClN6O10P/c17-3-8(24)19-1-2-32-34(29,30)5-9(25)31-4-7-11(26)12(27)15(33-7)23-6-20-10-13(23)21-16(18)22-14(10)28/h6-7,11-12,15,26-27H,1-5H2,(H,19,24)(H,29,30)(H3,18,21,22,28)/t7-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50607576 (CHEMBL5218642) Show SMILES C[C@H]1CN(C)CCN1c1cc(cc(n1)-c1noc(n1)[C@@]1(C)CCCc2sc(N)c(C#N)c12)N1CCN(CC1)C(=O)C=C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01120 BindingDB Entry DOI: 10.7270/Q2CC14S5
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501339 (CHEMBL3961855) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H23ClN6O11P2/c16-3-8(23)18-1-2-31-34(27,28)6-35(29,30)32-4-7-10(24)11(25)14(33-7)22-5-19-9-12(22)20-15(17)21-13(9)26/h5,7,10-11,14,24-25H,1-4,6H2,(H,18,23)(H,27,28)(H,29,30)(H3,17,20,21,26)/t7-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501350 (CHEMBL3974440) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OC2CCCN(C2)C(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H27ClN6O11P2/c19-4-11(26)24-3-1-2-9(5-24)36-38(32,33)8-37(30,31)34-6-10-13(27)14(28)17(35-10)25-7-21-12-15(25)22-18(20)23-16(12)29/h7,9-10,13-14,17,27-28H,1-6,8H2,(H,30,31)(H,32,33)(H3,20,22,23,29)/t9?,10-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					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	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of recombinant KRAS G12C mutant (unknown origin) assessed as rate of inactivation by LC-MS analysis				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))	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	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00099 BindingDB Entry DOI: 10.7270/Q25B06J8
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501334 (CHEMBL3953729) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H20ClN7O10S/c16-3-7(24)18-1-2-31-15(28)22-34(29,30)32-4-6-9(25)10(26)13(33-6)23-5-19-8-11(23)20-14(17)21-12(8)27/h5-6,9-10,13,25-26H,1-4H2,(H,18,24)(H,22,28)(H3,17,20,21,27)/t6-,9-,10-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501333 (CHEMBL3968831) Show SMILES CC(C)(CNC(=O)CCl)COP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C18H29ClN6O11P2/c1-18(2,5-21-10(26)3-19)6-35-38(32,33)8-37(30,31)34-4-9-12(27)13(28)16(36-9)25-7-22-11-14(25)23-17(20)24-15(11)29/h7,9,12-13,16,27-28H,3-6,8H2,1-2H3,(H,21,26)(H,30,31)(H,32,33)(H3,20,23,24,29)/t9-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50607575 (CHEMBL5221087) Show SMILES C[C@@]1(CCCc2sc(N)c(C#N)c12)c1nc(no1)-c1cccc(c1)N1CCN(CC1)C(=O)C=C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01120 BindingDB Entry DOI: 10.7270/Q2CC14S5
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501337 (CHEMBL3941415) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)C(F)P(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H22ClFN6O11P2/c16-3-7(24)19-1-2-32-35(28,29)14(17)36(30,31)33-4-6-9(25)10(26)13(34-6)23-5-20-8-11(23)21-15(18)22-12(8)27/h5-6,9-10,13-14,25-26H,1-4H2,(H,19,24)(H,28,29)(H,30,31)(H3,18,21,22,27)/t6-,9-,10-,13-,14?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50607574 (CHEMBL5218841) Show SMILES C[C@@]1(CCCc2sc(N)c(C#N)c12)c1nc(no1)-c1cccc(NC(=O)C=C)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01120 BindingDB Entry DOI: 10.7270/Q2CC14S5
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501338 (CHEMBL3911460) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COC(=O)CS(=O)(=O)NCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H22ClN7O9S/c17-3-8(25)19-1-2-21-34(30,31)5-9(26)32-4-7-11(27)12(28)15(33-7)24-6-20-10-13(24)22-16(18)23-14(10)29/h6-7,11-12,15,21,27-28H,1-5H2,(H,19,25)(H3,18,22,23,29)/t7-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50514402 (CHEMBL4535757 | US11345701, Compound Amg-510) Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(31.19,-31.19,;32.52,-31.96,;32.53,-33.49,;33.85,-31.18,;35.18,-31.95,;36.51,-31.17,;36.5,-29.62,;35.16,-28.87,;35.15,-27.33,;33.84,-29.64,;32.51,-28.88,;32.5,-27.35,;33.85,-26.57,;33.84,-25.02,;32.5,-24.25,;32.5,-22.71,;31.17,-25.02,;31.17,-26.57,;29.84,-27.34,;29.84,-28.87,;31.17,-29.64,;29.83,-30.4,;28.51,-26.56,;28.52,-25.02,;27.2,-24.24,;25.86,-25,;25.85,-26.54,;27.19,-27.33,;27.18,-28.87,;24.53,-24.22,;24.54,-22.68,;23.19,-24.98,;21.85,-24.2,;35.17,-24.24,;36.51,-25.01,;36.51,-26.55,;37.84,-24.24,;37.84,-22.69,;36.49,-21.92,;35.16,-22.71,;33.82,-21.94,)| Show InChI InChI=1S/C30H30F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01120 BindingDB Entry DOI: 10.7270/Q2CC14S5
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501348 (CHEMBL3913450) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CC(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H22ClN6O10P/c17-3-8(24)19-1-2-31-9(25)5-34(29,30)32-4-7-11(26)12(27)15(33-7)23-6-20-10-13(23)21-16(18)22-14(10)28/h6-7,11-12,15,26-27H,1-5H2,(H,19,24)(H,29,30)(H3,18,21,22,28)/t7-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501340 (CHEMBL3936077) Show SMILES COC(=O)\C=C\CCCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C18H27N5O12P2/c1-32-11(24)5-3-2-4-6-33-36(28,29)9-37(30,31)34-7-10-13(25)14(26)17(35-10)23-8-20-12-15(23)21-18(19)22-16(12)27/h3,5,8,10,13-14,17,25-26H,2,4,6-7,9H2,1H3,(H,28,29)(H,30,31)(H3,19,21,22,27)/b5-3+/t10-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50607573 (CHEMBL5219918) Show SMILES C[C@@]1(CCCc2sc(N)c(C#N)c12)c1nc(no1)-c1ccc(NC(=O)C=C)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.41E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01120 BindingDB Entry DOI: 10.7270/Q2CC14S5
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501349 (CHEMBL3981450) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CNc2c(NCCCNC(=O)CCl)c(=O)c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23ClN8O7/c20-4-8(29)22-2-1-3-23-9-10(14(32)13(9)31)24-5-7-12(30)15(33)18(35-7)28-6-25-11-16(28)26-19(21)27-17(11)34/h6-7,12,15,18,23-24,30,33H,1-5H2,(H,22,29)(H3,21,26,27,34)/t7-,12-,15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50459706 (CHEMBL4214264) Show SMILES Oc1cccc(F)c1-c1c(Cl)cc2c(ncnc2c1F)N1CCN(CC1)C(=O)C=C |(15.91,-23.99,;14.37,-23.99,;13.61,-22.65,;12.06,-22.66,;11.29,-23.99,;12.07,-25.31,;11.29,-26.64,;13.61,-25.32,;14.37,-26.64,;15.91,-26.64,;16.68,-25.31,;16.68,-27.97,;15.91,-29.32,;16.67,-30.65,;15.91,-31.97,;14.36,-31.97,;13.6,-30.64,;14.37,-29.31,;13.6,-27.98,;12.05,-27.98,;18.21,-30.64,;18.98,-31.98,;20.51,-31.99,;21.3,-30.65,;20.52,-29.31,;18.98,-29.3,;22.84,-30.66,;23.61,-29.32,;23.6,-32,;25.15,-32,)| Show InChI InChI=1S/C21H17ClF2N4O2/c1-2-16(30)27-6-8-28(9-7-27)21-12-10-13(22)17(19(24)20(12)25-11-26-21)18-14(23)4-3-5-15(18)29/h2-5,10-11,29H,1,6-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00099 BindingDB Entry DOI: 10.7270/Q25B06J8
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501336 (CHEMBL3965944) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)O[C@@H]2CC[C@H](C2)NC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H27ClN6O11P2/c19-4-11(26)22-8-1-2-9(3-8)36-38(32,33)7-37(30,31)34-5-10-13(27)14(28)17(35-10)25-6-21-12-15(25)23-18(20)24-16(12)29/h6,8-10,13-14,17,27-28H,1-5,7H2,(H,22,26)(H,30,31)(H,32,33)(H3,20,23,24,29)/t8-,9-,10-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501346 (CHEMBL3945018) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)O[C@@H]2CC[C@@H](C2)NC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H27ClN6O11P2/c19-4-11(26)22-8-1-2-9(3-8)36-38(32,33)7-37(30,31)34-5-10-13(27)14(28)17(35-10)25-6-21-12-15(25)23-18(20)24-16(12)29/h6,8-10,13-14,17,27-28H,1-5,7H2,(H,22,26)(H,30,31)(H,32,33)(H3,20,23,24,29)/t8-,9+,10+,13+,14+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50459706 (CHEMBL4214264) Show SMILES Oc1cccc(F)c1-c1c(Cl)cc2c(ncnc2c1F)N1CCN(CC1)C(=O)C=C |(15.91,-23.99,;14.37,-23.99,;13.61,-22.65,;12.06,-22.66,;11.29,-23.99,;12.07,-25.31,;11.29,-26.64,;13.61,-25.32,;14.37,-26.64,;15.91,-26.64,;16.68,-25.31,;16.68,-27.97,;15.91,-29.32,;16.67,-30.65,;15.91,-31.97,;14.36,-31.97,;13.6,-30.64,;14.37,-29.31,;13.6,-27.98,;12.05,-27.98,;18.21,-30.64,;18.98,-31.98,;20.51,-31.99,;21.3,-30.65,;20.52,-29.31,;18.98,-29.3,;22.84,-30.66,;23.61,-29.32,;23.6,-32,;25.15,-32,)| Show InChI InChI=1S/C21H17ClF2N4O2/c1-2-16(30)27-6-8-28(9-7-27)21-12-10-13(22)17(19(24)20(12)25-11-26-21)18-14(23)4-3-5-15(18)29/h2-5,10-11,29H,1,6-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	>6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to hexahistidine-tagged recombinant human KRas G12C mutant expressed in Escherichia coli BL21 (DE3) in presence of GDP				ACS Med Chem Lett 9: 861-863 (2018) Article DOI: 10.1021/acsmedchemlett.8b00311 BindingDB Entry DOI: 10.7270/Q22J6FGP
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50514402 (CHEMBL4535757 | US11345701, Compound Amg-510) Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(31.19,-31.19,;32.52,-31.96,;32.53,-33.49,;33.85,-31.18,;35.18,-31.95,;36.51,-31.17,;36.5,-29.62,;35.16,-28.87,;35.15,-27.33,;33.84,-29.64,;32.51,-28.88,;32.5,-27.35,;33.85,-26.57,;33.84,-25.02,;32.5,-24.25,;32.5,-22.71,;31.17,-25.02,;31.17,-26.57,;29.84,-27.34,;29.84,-28.87,;31.17,-29.64,;29.83,-30.4,;28.51,-26.56,;28.52,-25.02,;27.2,-24.24,;25.86,-25,;25.85,-26.54,;27.19,-27.33,;27.18,-28.87,;24.53,-24.22,;24.54,-22.68,;23.19,-24.98,;21.85,-24.2,;35.17,-24.24,;36.51,-25.01,;36.51,-26.55,;37.84,-24.24,;37.84,-22.69,;36.49,-21.92,;35.16,-22.71,;33.82,-21.94,)| Show InChI InChI=1S/C30H30F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00099 BindingDB Entry DOI: 10.7270/Q25B06J8
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50503649 (CHEMBL4476113) Show SMILES CC1(CC1)c1cc(NCC(=O)N2CCN(CC2)C2CN(C2)C(=O)C=C)c(O)cc1Cl Show InChI InChI=1S/C22H29ClN4O3/c1-3-20(29)27-13-15(14-27)25-6-8-26(9-7-25)21(30)12-24-18-10-16(22(2)4-5-22)17(23)11-19(18)28/h3,10-11,15,24,28H,1,4-9,12-14H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KRAS G12C mutant (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01688 BindingDB Entry DOI: 10.7270/Q2TM7G15
					More data for this Ligand-Target Pair				3D Structure (crystal)
GTPase KRas (Homo sapiens (Human))	BDBM50503649 (CHEMBL4476113) Show SMILES CC1(CC1)c1cc(NCC(=O)N2CCN(CC2)C2CN(C2)C(=O)C=C)c(O)cc1Cl Show InChI InChI=1S/C22H29ClN4O3/c1-3-20(29)27-13-15(14-27)25-6-8-26(9-7-25)21(30)12-24-18-10-16(22(2)4-5-22)17(23)11-19(18)28/h3,10-11,15,24,28H,1,4-9,12-14H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibition of KRAS G12C mutant (unknown origin)				Bioorg Med Chem Lett 29: 36-39 (2019) Article DOI: 10.1016/j.bmcl.2018.11.019 BindingDB Entry DOI: 10.7270/Q2028VTF
					More data for this Ligand-Target Pair				3D Structure (crystal)
GTPase KRas (Homo sapiens (Human))	BDBM50503649 (CHEMBL4476113) Show SMILES CC1(CC1)c1cc(NCC(=O)N2CCN(CC2)C2CN(C2)C(=O)C=C)c(O)cc1Cl Show InChI InChI=1S/C22H29ClN4O3/c1-3-20(29)27-13-15(14-27)25-6-8-26(9-7-25)21(30)12-24-18-10-16(22(2)4-5-22)17(23)11-19(18)28/h3,10-11,15,24,28H,1,4-9,12-14H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00099 BindingDB Entry DOI: 10.7270/Q25B06J8
					More data for this Ligand-Target Pair				3D Structure (crystal)
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617349 (US20230279025, Example 465) Show SMILES CCc1cccc2cccc(-c3ncc4c(nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)N3CC4CCC(C3)N4)c12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.00100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617357 (US20230279025, Example 469) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@]45C[C@@H](F)CN4CCCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(C#C)c(F)ccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617363 (US20230279025, Example 482) 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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617323 (US20230279025, Example 452 | US20230279025, Exampl...) Show SMILES C[C@@H]1CC1c1c(Cl)cc(O)cc1-c1ncc2c(nc(OC[C@@]34CCCN3C[C@H](F)C4)nc2c1F)N1CC2CCC(C1)N2 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617355 (US20230279025, Example 468) Show SMILES CCc1cccc2cc(O)cc(-c3ncc4c(nc(OC[C@]56CCCN5C[C@@H](F)C6)nc4c3F)N3CC4CCC(C3)N4)c12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573400 (US11453683, Example 259 | US20230279025, Example 4...) Show SMILES CCc1cccc2cc(O)cc(-c3ncc4c(nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)N3CC4CCC(C3)N4)c12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617351 (US20230279025, Example 466) Show SMILES CCc1cccc2cccc(-c3ncc4c(nc(OC[C@]56C[C@@H](O)CN5C[C@@H](O)C6)nc4c3F)N3CC4CCC(C3)N4)c12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617347 (US20230279025, Example 464) Show SMILES Fc1ccc2cccc(-c3ncc4c(nc(OCC56CCCN5CCC6)nc4c3F)N3CC4CCC(C3)N4)c2c1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.00700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617345 (US20230279025, Example 463) Show SMILES Oc1cc(-c2ncc3c(nc(OCC4CCCN5CCCC45)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0120	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM629510 (US20230339981, Example 198) Show SMILES Fc1ccc2cccc(-c3nc4CCC[C@@H]5[C@@H]6CC[C@H](CN5c5nc(OC[C@@]78CCCN7[C@H](COc7cc(cnn7)C(F)(F)F)CC8)nc(c3F)c45)N6)c2c1C#C |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0200	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 [G12D] (Homo sapiens (Human))	BDBM629513 (US20230339981, Example 201) Show SMILES Fc1ccc2cccc(-c3nc4CCC[C@@H]5[C@@H]6CC[C@H](CN5c5nc(OC[C@@]78CCCN7[C@H](CSc7cc(ncn7)C(F)(F)F)CC8)nc(c3F)c45)N6)c2c1C#C |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0200	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 [G12D] (Homo sapiens (Human))	BDBM617339 (US20230279025, Example 460) Show SMILES Fc1ccc2cccc(-c3ncc4c(nc(OCC56CCCN5CCC6)nc4c3F)N3CC4CCC(C3)N4)c2c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM629518 (US20230339981, Example 206) Show SMILES FC(F)c1cncnc1OC[C@@H]1CC[C@]2(COc3nc4N5C[C@H]6CC[C@H](N6)[C@H]5CCCc5nc(c(F)c(n3)c45)-c3cccc4ccc(F)c(C#C)c34)CCCN12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0400	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 [G12D] (Homo sapiens (Human))	BDBM629509 (US20230339981, Example 197) Show SMILES CCC[C@@H]1NCCN2[C@@H]1CCCc1nc(c(F)c3nc(OC[C@@]45CCCN4[C@H](COc4cnc(cn4)C(F)(F)F)CC5)nc2c13)-c1cccc2ccc(F)c(C#C)c12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0400	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 [G12D] (Homo sapiens (Human))	BDBM629381 (US20230339981, Example 68) Show SMILES C[C@]12CC[C@H](N1)[C@H]1CCc3nc(c(F)c4nc(OCC5(CN6CCC(F)CC6)CC5)nc(N1C2)c34)-c1cc(O)cc2ccc(F)c(C#C)c12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0500	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 [G12D] (Homo sapiens (Human))	BDBM629505 (US20230339981, Example 193) Show SMILES C[C@H]1Cc2cc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@H]14)c23)-c1cc(N)cc2ccc(F)c(C#C)c12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0500	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 [G12D] (Homo sapiens (Human))	BDBM629512 (US20230339981, Example 200) Show SMILES FC(F)c1cnc(OC[C@@H]2CC[C@]3(COc4nc5N6C[C@H]7CC[C@H](N7)[C@H]6CCCc6nc(c(F)c(n4)c56)-c4cccc5ccc(F)c(C#C)c45)CCCN23)cn1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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