Compile Data Set for Download or QSAR

Found 237 hits of ic50 for UniProtKB: P01116   

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 [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472582 (US10829487, Example I-61) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCC(CC1)C2)c1cccc(c1F)C(F)(F)CO |r| Show InChI InChI=1S/C25H27F3N4O2/c1-14(17-4-3-5-19(22(17)26)25(27,28)13-33)29-23-18-12-32(24-8-6-16(11-24)7-9-24)21(34)10-20(18)30-15(2)31-23/h3-5,10,12,14,16,33H,6-9,11,13H2,1-2H3,(H,29,30,31)/t14-,16?,24?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472647 (US10829487, Example I-130) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCC(CC1)CC2)c1cccc(c1F)C(F)(F)CO |r| Show InChI InChI=1S/C26H29F3N4O2/c1-15(18-4-3-5-20(23(18)27)26(28,29)14-34)30-24-19-13-33(22(35)12-21(19)31-16(2)32-24)25-9-6-17(7-10-25)8-11-25/h3-5,12-13,15,17,34H,6-11,14H2,1-2H3,(H,30,31,32)/t15-,17?,25?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472670 (US10829487, Example I-177) Show SMILES C[C@@H](Nc1ncnc2c(C)c(=O)n(cc12)C12CCC(CC1)C2)c1cccc2c1CCC2(F)F |r| Show InChI InChI=1S/C26H28F2N4O/c1-15-22-20(13-32(24(15)33)25-9-6-17(12-25)7-10-25)23(30-14-29-22)31-16(2)18-4-3-5-21-19(18)8-11-26(21,27)28/h3-5,13-14,16-17H,6-12H2,1-2H3,(H,29,30,31)/t16-,17?,25?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472539 (US10829487, Example I-19) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCC(CC1)C2)c1cccc(C(F)F)c1F |r| Show InChI InChI=1S/C24H25F3N4O/c1-13(16-4-3-5-17(21(16)25)22(26)27)28-23-18-12-31(24-8-6-15(11-24)7-9-24)20(32)10-19(18)29-14(2)30-23/h3-5,10,12-13,15,22H,6-9,11H2,1-2H3,(H,28,29,30)/t13-,15?,24?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472653 (US10829487, Example I-160) Show SMILES C[C@@H](Nc1nc(C)nc2c(C)c(=O)n(cc12)C12CCN(CC1)C2)c1cccc2c1CCC2(F)F |r| Show InChI InChI=1S/C26H29F2N5O/c1-15-22-20(13-33(24(15)34)25-9-11-32(14-25)12-10-25)23(31-17(3)30-22)29-16(2)18-5-4-6-21-19(18)7-8-26(21,27)28/h4-6,13,16H,7-12,14H2,1-3H3,(H,29,30,31)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472651 (US10829487, Example I-158) Show SMILES C[C@@H](Nc1nc(C)nc2c(C)c(=O)n(cc12)C12CCN(CC1)CC2)c1cccc(C(F)F)c1C |r| Show InChI InChI=1S/C26H31F2N5O/c1-15-19(6-5-7-20(15)23(27)28)17(3)29-24-21-14-33(26-8-11-32(12-9-26)13-10-26)25(34)16(2)22(21)30-18(4)31-24/h5-7,14,17,23H,8-13H2,1-4H3,(H,29,30,31)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472645 (US10829487, Example I-128) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCN(CC1)CC2)c1cccc(c1F)C(F)(F)F |r| Show InChI InChI=1S/C24H25F4N5O/c1-14(16-4-3-5-18(21(16)25)24(26,27)28)29-22-17-13-33(20(34)12-19(17)30-15(2)31-22)23-6-9-32(10-7-23)11-8-23/h3-5,12-14H,6-11H2,1-2H3,(H,29,30,31)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472642 (US10829487, Example I-125) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCN(CC1)CC2)c1cccc(C(F)F)c1C |r| Show InChI InChI=1S/C25H29F2N5O/c1-15-18(5-4-6-19(15)23(26)27)16(2)28-24-20-14-32(22(33)13-21(20)29-17(3)30-24)25-7-10-31(11-8-25)12-9-25/h4-6,13-14,16,23H,7-12H2,1-3H3,(H,28,29,30)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472641 (US10829487, Example I-124) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCC(CC1)(CC2)C(=O)N(C)C)c1cccc(C(F)F)c1C |r| Show InChI InChI=1S/C29H35F2N5O2/c1-17-20(7-6-8-21(17)25(30)31)18(2)32-26-22-16-36(24(37)15-23(22)33-19(3)34-26)29-12-9-28(10-13-29,11-14-29)27(38)35(4)5/h6-8,15-16,18,25H,9-14H2,1-5H3,(H,32,33,34)/t18-,28?,29?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472606 (US10829487, Example I-89) Show SMILES C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C1(CC1)C(F)F)c1cccc(c1F)C(F)(F)C(C)(C)O |r| Show InChI InChI=1S/C24H24F6N4O2/c1-11(13-6-5-7-15(16(13)25)24(29,30)22(3,4)36)31-19-14-10-34(23(8-9-23)21(27)28)20(35)17(26)18(14)32-12(2)33-19/h5-7,10-11,21,36H,8-9H2,1-4H3,(H,31,32,33)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472605 (US10829487, Example I-88) Show SMILES C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C1(C)CC1)c1cccc(c1F)C(F)(F)C(C)(C)O |r| Show InChI InChI=1S/C24H26F4N4O2/c1-12(14-7-6-8-16(17(14)25)24(27,28)22(3,4)34)29-20-15-11-32(23(5)9-10-23)21(33)18(26)19(15)30-13(2)31-20/h6-8,11-12,34H,9-10H2,1-5H3,(H,29,30,31)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472581 (US10829487, Example I-60) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCN(CC1)C2)c1cccc2c1CCC2(F)F |r| Show InChI InChI=1S/C25H27F2N5O/c1-15(17-4-3-5-20-18(17)6-7-25(20,26)27)28-23-19-13-32(24-8-10-31(14-24)11-9-24)22(33)12-21(19)29-16(2)30-23/h3-5,12-13,15H,6-11,14H2,1-2H3,(H,28,29,30)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472579 (US10829487, Example I-58) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)C(F)F)c1cccc2c1CCC2(F)F |r| Show InChI InChI=1S/C23H22F4N4O/c1-12(14-4-3-5-17-15(14)6-7-23(17,26)27)28-20-16-11-31(22(8-9-22)21(24)25)19(32)10-18(16)29-13(2)30-20/h3-5,10-12,21H,6-9H2,1-2H3,(H,28,29,30)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472578 (US10829487, Example I-57) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CC1)c1cccc2c1CCC2(F)F |r| Show InChI InChI=1S/C23H24F2N4O/c1-13(15-5-4-6-18-16(15)7-8-23(18,24)25)26-21-17-12-29(22(3)9-10-22)20(30)11-19(17)27-14(2)28-21/h4-6,11-13H,7-10H2,1-3H3,(H,26,27,28)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472540 (US10829487, Example I-20) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CC1)c1cccc(C(F)F)c1C |r| Show InChI InChI=1S/C22H24F2N4O/c1-12-15(6-5-7-16(12)20(23)24)13(2)25-21-17-11-28(22(4)8-9-22)19(29)10-18(17)26-14(3)27-21/h5-7,10-11,13,20H,8-9H2,1-4H3,(H,25,26,27)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472592 (US10829487, Example I-73) Show SMILES C[C@@H](Nc1ncnc2cc(=O)n(cc12)C12CCC(F)(CC1)CC2)c1cccc(C(F)F)c1F |r| Show InChI InChI=1S/C24H24F4N4O/c1-14(15-3-2-4-16(20(15)25)21(26)27)31-22-17-12-32(19(33)11-18(17)29-13-30-22)24-8-5-23(28,6-9-24)7-10-24/h2-4,11-14,21H,5-10H2,1H3,(H,29,30,31)/t14-,23?,24?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472610 (US10829487, Example I-93) Show SMILES C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C1(CC1)C(F)F)c1cccc(c1)C(F)(F)C1CCCO1 |r| Show InChI InChI=1S/C25H25F5N4O2/c1-13(15-5-3-6-16(11-15)25(29,30)18-7-4-10-36-18)31-21-17-12-34(24(8-9-24)23(27)28)22(35)19(26)20(17)32-14(2)33-21/h3,5-6,11-13,18,23H,4,7-10H2,1-2H3,(H,31,32,33)/t13-,18?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472541 (US10829487, Example I-21) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)C(F)F)c1cccc(C(F)F)c1C |r| Show InChI InChI=1S/C22H22F4N4O/c1-11-14(5-4-6-15(11)19(23)24)12(2)27-20-16-10-30(22(7-8-22)21(25)26)18(31)9-17(16)28-13(3)29-20/h4-6,9-10,12,19,21H,7-8H2,1-3H3,(H,27,28,29)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472639 (US10829487, Example I-122) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCC(O)(CC1)CC2)c1cccc(C(F)F)c1F |r| Show InChI InChI=1S/C25H27F3N4O2/c1-14(16-4-3-5-17(21(16)26)22(27)28)29-23-18-13-32(20(33)12-19(18)30-15(2)31-23)24-6-9-25(34,10-7-24)11-8-24/h3-5,12-14,22,34H,6-11H2,1-2H3,(H,29,30,31)/t14-,24?,25?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472640 (US10829487, Example I-123) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CCOC1)c1cccc(C(F)F)c1C |r| Show InChI InChI=1S/C23H26F2N4O2/c1-13-16(6-5-7-17(13)21(24)25)14(2)26-22-18-11-29(23(4)8-9-31-12-23)20(30)10-19(18)27-15(3)28-22/h5-7,10-11,14,21H,8-9,12H2,1-4H3,(H,26,27,28)/t14-,23?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472580 (US10829487, Example I-59) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CC(C1)C2)c1cccc2c1CCC2(F)F |r| Show InChI InChI=1S/C24H24F2N4O/c1-13(16-4-3-5-19-17(16)6-7-24(19,25)26)27-22-18-12-30(23-9-15(10-23)11-23)21(31)8-20(18)28-14(2)29-22/h3-5,8,12-13,15H,6-7,9-11H2,1-2H3,(H,27,28,29)/t13-,15?,23?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472652 (US10829487, Example I-159) Show SMILES C[C@@H](Nc1nc(C)nc2c(C)c(=O)n(cc12)C12CCN(CC1)CC2)c1cccc(c1C)C(F)(F)F |r| Show InChI InChI=1S/C26H30F3N5O/c1-15-19(6-5-7-21(15)26(27,28)29)17(3)30-23-20-14-34(25-8-11-33(12-9-25)13-10-25)24(35)16(2)22(20)31-18(4)32-23/h5-7,14,17H,8-13H2,1-4H3,(H,30,31,32)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472625 (US10829487, Example I-108) Show SMILES C[C@@H](Nc1ncnc2cc(=O)n(cc12)C12CCC(CC1)C2)c1cccc2c1CCC2(F)F |r| Show InChI InChI=1S/C25H26F2N4O/c1-15(17-3-2-4-20-18(17)7-10-25(20,26)27)30-23-19-13-31(22(32)11-21(19)28-14-29-23)24-8-5-16(12-24)6-9-24/h2-4,11,13-16H,5-10,12H2,1H3,(H,28,29,30)/t15-,16?,24?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472633 (US10829487, Example I-116) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCN(CC1)CC2)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C24H26F3N5O/c1-15(17-4-3-5-18(12-17)24(25,26)27)28-22-19-14-32(21(33)13-20(19)29-16(2)30-22)23-6-9-31(10-7-23)11-8-23/h3-5,12-15H,6-11H2,1-2H3,(H,28,29,30)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472522 (US10829487, Example I-2) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CF)CC1)c1cccc(C(F)F)c1F |r| Show InChI InChI=1S/C21H20F4N4O/c1-11(13-4-3-5-14(18(13)23)19(24)25)26-20-15-9-29(21(10-22)6-7-21)17(30)8-16(15)27-12(2)28-20/h3-5,8-9,11,19H,6-7,10H2,1-2H3,(H,26,27,28)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472574 (US10829487, Example I-53) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CF)CC1)c1cccc(c1F)C(C)(F)F |r| Show InChI InChI=1S/C22H22F4N4O/c1-12(14-5-4-6-16(19(14)24)21(3,25)26)27-20-15-10-30(22(11-23)7-8-22)18(31)9-17(15)28-13(2)29-20/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,27,28,29)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472573 (US10829487, Example I-52) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CC1)c1cccc(c1F)C(C)(F)F |r| Show InChI InChI=1S/C22H23F3N4O/c1-12(14-6-5-7-16(19(14)23)22(4,24)25)26-20-15-11-29(21(3)8-9-21)18(30)10-17(15)27-13(2)28-20/h5-7,10-12H,8-9H2,1-4H3,(H,26,27,28)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472559 (US10829487, Example I-38) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CF)CC1)c1cccc(c1C)C(F)(F)F |r| Show InChI InChI=1S/C22H22F4N4O/c1-12-15(5-4-6-17(12)22(24,25)26)13(2)27-20-16-10-30(21(11-23)7-8-21)19(31)9-18(16)28-14(3)29-20/h4-6,9-10,13H,7-8,11H2,1-3H3,(H,27,28,29)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472543 (US10829487, Example I-23) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CCC1)c1cccc(C(F)F)c1C |r| Show InChI InChI=1S/C23H26F2N4O/c1-13-16(7-5-8-17(13)21(24)25)14(2)26-22-18-12-29(23(4)9-6-10-23)20(30)11-19(18)27-15(3)28-22/h5,7-8,11-12,14,21H,6,9-10H2,1-4H3,(H,26,27,28)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472623 (US10829487, Example I-106) Show SMILES C[C@@H](Nc1ncnc2cc(=O)n(cc12)C12CC(C1)C2)c1cccc2c1CCC2(F)F |r| Show InChI InChI=1S/C23H22F2N4O/c1-13(15-3-2-4-18-16(15)5-6-23(18,24)25)28-21-17-11-29(22-8-14(9-22)10-22)20(30)7-19(17)26-12-27-21/h2-4,7,11-14H,5-6,8-10H2,1H3,(H,26,27,28)/t13-,14?,22?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472621 (US10829487, Example I-104) Show SMILES C[C@@H](Nc1ncnc2cc(=O)n(cc12)C1(C)CC1)c1cccc2c1CCC2(F)F |r| Show InChI InChI=1S/C22H22F2N4O/c1-13(14-4-3-5-17-15(14)6-7-22(17,23)24)27-20-16-11-28(21(2)8-9-21)19(29)10-18(16)25-12-26-20/h3-5,10-13H,6-9H2,1-2H3,(H,25,26,27)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472619 (US10829487, Example I-102) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)C(F)F)c1cccc2c1OCC2(F)F |r| Show InChI InChI=1S/C22H20F4N4O2/c1-11(13-4-3-5-15-18(13)32-10-22(15,25)26)27-19-14-9-30(21(6-7-21)20(23)24)17(31)8-16(14)28-12(2)29-19/h3-5,8-9,11,20H,6-7,10H2,1-2H3,(H,27,28,29)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472618 (US10829487, Example I-101) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CC1)c1cccc2c1OCC2(F)F |r| Show InChI InChI=1S/C22H22F2N4O2/c1-12(14-5-4-6-16-19(14)30-11-22(16,23)24)25-20-15-10-28(21(3)7-8-21)18(29)9-17(15)26-13(2)27-20/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,25,26,27)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472609 (US10829487, Example I-92) Show SMILES C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C1(C)CC1)c1cccc(c1)C(F)(F)C1CCCO1 |r| Show InChI InChI=1S/C25H27F3N4O2/c1-14(16-6-4-7-17(12-16)25(27,28)19-8-5-11-34-19)29-22-18-13-32(24(3)9-10-24)23(33)20(26)21(18)30-15(2)31-22/h4,6-7,12-14,19H,5,8-11H2,1-3H3,(H,29,30,31)/t14-,19?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472608 (US10829487, Example I-91) Show SMILES C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C12CC(F)(C1)C2)c1cccc(c1F)C(F)(F)C(C)(C)O |r| Show InChI InChI=1S/C25H25F5N4O2/c1-12(14-6-5-7-16(17(14)26)25(29,30)22(3,4)36)31-20-15-8-34(24-9-23(28,10-24)11-24)21(35)18(27)19(15)32-13(2)33-20/h5-8,12,36H,9-11H2,1-4H3,(H,31,32,33)/t12-,23?,24?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472607 (US10829487, Example I-90) Show SMILES C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C12CC(C1)C2)c1cccc(c1F)C(F)(F)C(C)(C)O |r| Show InChI InChI=1S/C25H26F4N4O2/c1-12(15-6-5-7-17(18(15)26)25(28,29)23(3,4)35)30-21-16-11-33(24-8-14(9-24)10-24)22(34)19(27)20(16)31-13(2)32-21/h5-7,11-12,14,35H,8-10H2,1-4H3,(H,30,31,32)/t12-,14?,24?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472604 (US10829487, Example I-87) Show SMILES C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C1(CF)CC1)c1cccc(c1F)C(C)(F)F |r| Show InChI InChI=1S/C22H21F5N4O/c1-11(13-5-4-6-15(16(13)24)21(3,26)27)28-19-14-9-31(22(10-23)7-8-22)20(32)17(25)18(14)29-12(2)30-19/h4-6,9,11H,7-8,10H2,1-3H3,(H,28,29,30)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472649 (US10829487, Example I-156) Show SMILES C[C@@H](Nc1nc(C)nc2c(C)c(=O)n(cc12)C12CCC(O)(CC1)CC2)c1cccc(C(F)F)c1F |r| Show InChI InChI=1S/C26H29F3N4O2/c1-14-21-19(13-33(24(14)34)25-7-10-26(35,11-8-25)12-9-25)23(32-16(3)31-21)30-15(2)17-5-4-6-18(20(17)27)22(28)29/h4-6,13,15,22,35H,7-12H2,1-3H3,(H,30,31,32)/t15-,25?,26?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472521 (US10829487, Example I-1) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CC1)c1cccc(C(F)F)c1F |r| Show InChI InChI=1S/C21H21F3N4O/c1-11(13-5-4-6-14(18(13)22)19(23)24)25-20-15-10-28(21(3)7-8-21)17(29)9-16(15)26-12(2)27-20/h4-6,9-11,19H,7-8H2,1-3H3,(H,25,26,27)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472523 (US10829487, Example I-3) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)C(F)F)c1cccc(C(F)F)c1F |r| Show InChI InChI=1S/C21H19F5N4O/c1-10(12-4-3-5-13(17(12)22)18(23)24)27-19-14-9-30(21(6-7-21)20(25)26)16(31)8-15(14)28-11(2)29-19/h3-5,8-10,18,20H,6-7H2,1-2H3,(H,27,28,29)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472531 (US10829487, Example I-11) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CCC1)c1cccc(C(F)F)c1F |r| Show InChI InChI=1S/C22H23F3N4O/c1-12(14-6-4-7-15(19(14)23)20(24)25)26-21-16-11-29(22(3)8-5-9-22)18(30)10-17(16)27-13(2)28-21/h4,6-7,10-12,20H,5,8-9H2,1-3H3,(H,26,27,28)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472537 (US10829487, Example I-17) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CC(C1)(C2)N1CCOCC1)c1cccc(C(F)F)c1F |r| Show InChI InChI=1S/C26H28F3N5O2/c1-15(17-4-3-5-18(22(17)27)23(28)29)30-24-19-11-34(21(35)10-20(19)31-16(2)32-24)26-12-25(13-26,14-26)33-6-8-36-9-7-33/h3-5,10-11,15,23H,6-9,12-14H2,1-2H3,(H,30,31,32)/t15-,25?,26?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472538 (US10829487, Example I-18) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1CCOCC1)c1cccc(C(F)F)c1F |r| Show InChI InChI=1S/C22H23F3N4O2/c1-12(15-4-3-5-16(20(15)23)21(24)25)26-22-17-11-29(14-6-8-31-9-7-14)19(30)10-18(17)27-13(2)28-22/h3-5,10-12,14,21H,6-9H2,1-2H3,(H,26,27,28)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472558 (US10829487, Example I-37) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CC1)c1cccc(c1C)C(F)(F)F |r| Show InChI InChI=1S/C22H23F3N4O/c1-12-15(6-5-7-17(12)22(23,24)25)13(2)26-20-16-11-29(21(4)8-9-21)19(30)10-18(16)27-14(3)28-20/h5-7,10-11,13H,8-9H2,1-4H3,(H,26,27,28)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472564 (US10829487, Example I-43) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)[C@H]1C[C@H](O)C1)c1cccc(c1C)C(F)(F)F |r,wU:15.16,wD:1.0,17.19,(-4.28,-1.15,;-2.94,-.38,;-1.61,-1.15,;-1.61,-2.69,;-2.94,-3.47,;-2.94,-5,;-4.28,-5.78,;-1.61,-5.78,;-.28,-5,;1.06,-5.78,;2.39,-5,;3.72,-5.78,;2.39,-3.47,;1.06,-2.69,;-.28,-3.47,;3.72,-2.69,;4.12,-1.21,;5.61,-1.61,;6.94,-.84,;5.21,-3.09,;-2.94,1.15,;-1.61,1.93,;-1.61,3.47,;-2.94,4.23,;-4.28,3.47,;-4.28,1.93,;-5.61,1.16,;-5.61,4.23,;-5.61,5.78,;-6.94,3.47,;-6.94,5,)| Show InChI InChI=1S/C22H23F3N4O2/c1-11-16(5-4-6-18(11)22(23,24)25)12(2)26-21-17-10-29(14-7-15(30)8-14)20(31)9-19(17)27-13(3)28-21/h4-6,9-10,12,14-15,30H,7-8H2,1-3H3,(H,26,27,28)/t12-,14-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472575 (US10829487, Example I-54) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)C(F)F)c1cccc(c1F)C(C)(F)F |r| Show InChI InChI=1S/C22H21F5N4O/c1-11(13-5-4-6-15(18(13)23)21(3,26)27)28-19-14-10-31(22(7-8-22)20(24)25)17(32)9-16(14)29-12(2)30-19/h4-6,9-11,20H,7-8H2,1-3H3,(H,28,29,30)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472599 (US10829487, Example I-82) Show SMILES C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C1(CC1)C(F)F)c1cccc(C(F)F)c1F |r| Show InChI InChI=1S/C21H18F6N4O/c1-9(11-4-3-5-12(14(11)22)17(24)25)28-18-13-8-31(21(6-7-21)20(26)27)19(32)15(23)16(13)29-10(2)30-18/h3-5,8-9,17,20H,6-7H2,1-2H3,(H,28,29,30)/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472611 (US10829487, Example I-94) Show SMILES C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C1(C)CC1)c1cccc(c1F)C(F)(F)[C@@H]1CCCO1 |r| Show InChI InChI=1S/C25H26F4N4O2/c1-13(15-6-4-7-17(19(15)26)25(28,29)18-8-5-11-35-18)30-22-16-12-33(24(3)9-10-24)23(34)20(27)21(16)31-14(2)32-22/h4,6-7,12-13,18H,5,8-11H2,1-3H3,(H,30,31,32)/t13-,18+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472612 (US10829487, Example I-95) Show SMILES C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C1(CC1)C(F)F)c1cccc(c1F)C(F)(F)[C@@H]1CCCO1 |r| Show InChI InChI=1S/C25H24F6N4O2/c1-12(14-5-3-6-16(18(14)26)25(30,31)17-7-4-10-37-17)32-21-15-11-35(24(8-9-24)23(28)29)22(36)19(27)20(15)33-13(2)34-21/h3,5-6,11-12,17,23H,4,7-10H2,1-2H3,(H,32,33,34)/t12-,17+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049] ()	BDBM472620 (US10829487, Example I-103) Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)C(F)F)c1cccc2c(F)coc12 |r| Show InChI InChI=1S/C22H19F3N4O2/c1-11(13-4-3-5-14-16(23)10-31-19(13)14)26-20-15-9-29(22(6-7-22)21(24)25)18(30)8-17(15)27-12(2)28-20/h3-5,8-11,21H,6-7H2,1-2H3,(H,26,27,28)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...				US Patent US10829487 (2020) BindingDB Entry DOI: 10.7270/Q2D50R22
					More data for this Ligand-Target Pair

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