Compile Data Set for Download or QSAR

Found 714 hits with Last Name = 'ramharter' and Initial = 'j'   

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 [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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50581660 (CHEMBL1714813) Show SMILES COc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB 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 EGFR (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01949 BindingDB Entry DOI: 10.7270/Q2154MXQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-127] (Homo sapiens (Human))	BDBM431985 (US10576064, Example I-185 | US10576064, Example I-...) Show SMILES CCOc1cccc(CN2[C@H]3CCN(C(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c2ccc(cc2)C(O)=O)c1 |r| Show InChI InChI=1S/C36H30Cl2FN3O5/c1-2-47-24-6-3-5-20(17-24)19-42-29-15-16-41(23-12-9-21(10-13-23)34(44)45)33(43)30(29)31(25-7-4-8-27(38)32(25)39)36(42)26-14-11-22(37)18-28(26)40-35(36)46/h3-14,17-18,29-31H,2,15-16,19H2,1H3,(H,40,46)(H,44,45)/t29-,30+,31-,36+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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 This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...				US Patent US10576064 (2020) BindingDB Entry DOI: 10.7270/Q2NC63KF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-127] (Homo sapiens (Human))	BDBM432016 (US10576064, Example I-237 | US10576064, Example I-...) Show SMILES CCOc1cccc(CN2[C@H]3CN(C(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c2ccc(cc2)C(O)=O)c1 |r| Show InChI InChI=1S/C35H28Cl2FN3O5/c1-2-46-23-6-3-5-19(15-23)17-41-28-18-40(22-12-9-20(10-13-22)33(43)44)32(42)29(28)30(24-7-4-8-26(37)31(24)38)35(41)25-14-11-21(36)16-27(25)39-34(35)45/h3-16,28-30H,2,17-18H2,1H3,(H,39,45)(H,43,44)/t28-,29+,30-,35+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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 This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...				US Patent US10576064 (2020) BindingDB Entry DOI: 10.7270/Q2NC63KF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-127] (Homo sapiens (Human))	BDBM432016 (US10576064, Example I-237 | US10576064, Example I-...) Show SMILES CCOc1cccc(CN2[C@H]3CN(C(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c2ccc(cc2)C(O)=O)c1 |r| Show InChI InChI=1S/C35H28Cl2FN3O5/c1-2-46-23-6-3-5-19(15-23)17-41-28-18-40(22-12-9-20(10-13-22)33(43)44)32(42)29(28)30(24-7-4-8-26(37)31(24)38)35(41)25-14-11-21(36)16-27(25)39-34(35)45/h3-16,28-30H,2,17-18H2,1H3,(H,39,45)(H,43,44)/t28-,29+,30-,35+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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 This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...				US Patent US10576064 (2020) BindingDB Entry DOI: 10.7270/Q2NC63KF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454369 (US10717742, Example Ia-25 | US10882866, Example Ia...) Show SMILES OC(=O)c1ccc2c3C[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1 |r| Show InChI InChI=1S/C30H23Cl2FN4O3/c31-16-7-9-19-22(11-16)34-29(40)30(19)25(18-2-1-3-20(32)26(18)33)27-24(36(30)13-14-4-5-14)12-23-17-8-6-15(28(38)39)10-21(17)35-37(23)27/h1-3,6-11,14,24-25,27H,4-5,12-13H2,(H,34,40)(H,38,39)/t24-,25-,27+,30+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454371 (US10717742, Example Ia-27 | US10882866, Example Ia...) Show SMILES CC(C)CN1[C@H]2Cc3n(nc4cc(ccc34)C(O)=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C30H25Cl2FN4O3/c1-14(2)13-36-24-12-23-17-8-6-15(28(38)39)10-21(17)35-37(23)27(24)25(18-4-3-5-20(32)26(18)33)30(36)19-9-7-16(31)11-22(19)34-29(30)40/h3-11,14,24-25,27H,12-13H2,1-2H3,(H,34,40)(H,38,39)/t24-,25-,27+,30+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454372 (US10717742, Example Ia-29 | US10882866, Example Ia...) Show SMILES CCCN1[C@H]2Cc3n(nc4cc(ccc34)C(O)=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C29H23Cl2FN4O3/c1-2-10-35-23-13-22-16-8-6-14(27(37)38)11-20(16)34-36(22)26(23)24(17-4-3-5-19(31)25(17)32)29(35)18-9-7-15(30)12-21(18)33-28(29)39/h3-9,11-12,23-24,26H,2,10,13H2,1H3,(H,33,39)(H,37,38)/t23-,24-,26+,29+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454373 (US10717742, Example Ia-30 | US10882866, Example Ia...) Show SMILES CCN1[C@H]2Cc3n(nc4cc(ccc34)C(O)=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C28H21Cl2FN4O3/c1-2-34-22-12-21-15-8-6-13(26(36)37)10-19(15)33-35(21)25(22)23(16-4-3-5-18(30)24(16)31)28(34)17-9-7-14(29)11-20(17)32-27(28)38/h3-11,22-23,25H,2,12H2,1H3,(H,32,38)(H,36,37)/t22-,23-,25+,28+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454376 (US10717742, Example Ia-32 | US10882866, Example Ia...) Show SMILES CCOc1cccc(CN2[C@H]3Cc4n(nc5cc(ccc45)C(O)=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1 |r| Show InChI InChI=1S/C35H27Cl2FN4O4/c1-2-46-21-6-3-5-18(13-21)17-41-29-16-28-22-11-9-19(33(43)44)14-26(22)40-42(28)32(29)30(23-7-4-8-25(37)31(23)38)35(41)24-12-10-20(36)15-27(24)39-34(35)45/h3-15,29-30,32H,2,16-17H2,1H3,(H,39,45)(H,43,44)/t29-,30-,32+,35+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454378 (US10717742, Example Ia-34 | US10882866, Example Ia...) Show SMILES Cc1c(ccc2c3C[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc12)C(O)=O |r| Show InChI InChI=1S/C31H25Cl2FN4O3/c1-14-17(29(39)40)8-9-18-23-12-24-28(38(23)36-27(14)18)25(19-3-2-4-21(33)26(19)34)31(37(24)13-15-5-6-15)20-10-7-16(32)11-22(20)35-30(31)41/h2-4,7-11,15,24-25,28H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t24-,25-,28+,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE 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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454379 (US10717742, Example Ia-35 | US10882866, Example Ia...) Show SMILES COc1cc2c3C[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2cc1C(O)=O |r| Show InChI InChI=1S/C31H25Cl2FN4O4/c1-42-25-11-17-21(10-18(25)29(39)40)36-38-23(17)12-24-28(38)26(16-3-2-4-20(33)27(16)34)31(37(24)13-14-5-6-14)19-8-7-15(32)9-22(19)35-30(31)41/h2-4,7-11,14,24,26,28H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t24-,26-,28+,31+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454381 (US10717742, Example Ia-38 | US10882866, Example Ia...) Show SMILES OC(=O)c1ccc2nn3[C@@H]4[C@H](Cc3c2c1)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C30H23Cl2FN4O3/c31-16-7-8-19-22(11-16)34-29(40)30(19)25(17-2-1-3-20(32)26(17)33)27-24(36(30)13-14-4-5-14)12-23-18-10-15(28(38)39)6-9-21(18)35-37(23)27/h1-3,6-11,14,24-25,27H,4-5,12-13H2,(H,34,40)(H,38,39)/t24-,25-,27+,30+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454383 (US10717742, Example Ia-40 | US10882866, Example Ia...) Show SMILES CCOc1cccc(CN2[C@H]3Cc4n(nc5cc(C(O)=O)c(C)cc45)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1 |r| Show InChI InChI=1S/C36H29Cl2FN4O4/c1-3-47-21-7-4-6-19(13-21)17-42-30-16-29-24-12-18(2)23(34(44)45)15-27(24)41-43(29)33(30)31(22-8-5-9-26(38)32(22)39)36(42)25-11-10-20(37)14-28(25)40-35(36)46/h4-15,30-31,33H,3,16-17H2,1-2H3,(H,40,46)(H,44,45)/t30-,31-,33+,36+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454385 (US10717742, Example Ia-43 | US10882866, Example Ia...) Show SMILES OC(=O)c1ccc2c3C[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4nc(Cl)ccc54)n3nc2c1 |r| Show InChI InChI=1S/C29H22Cl2FN5O3/c30-18-3-1-2-16(24(18)32)23-25-21(11-20-15-7-6-14(27(38)39)10-19(15)35-37(20)25)36(12-13-4-5-13)29(23)17-8-9-22(31)33-26(17)34-28(29)40/h1-3,6-10,13,21,23,25H,4-5,11-12H2,(H,38,39)(H,33,34,40)/t21-,23-,25+,29+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454403 (US10717742, Example Ib-106 | US10717742, Example I...) Show SMILES OC(=O)c1ccc2n3CC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)c3nc2c1 |r| Show InChI InChI=1S/C31H25Cl2FN4O3/c32-17-7-8-19-21(13-17)36-30(41)31(19)26(18-2-1-3-20(33)27(18)34)25-24(38(31)14-15-4-5-15)10-11-37-23-9-6-16(29(39)40)12-22(23)35-28(25)37/h1-3,6-9,12-13,15,24-26H,4-5,10-11,14H2,(H,36,41)(H,39,40)/t24-,25+,26-,31+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454422 (US10717742, Example Ib-139 | US10717742, Example I...) Show SMILES CCOc1cccc(CN2[C@H]3CCn4c(nc5cc(ccc45)C(O)=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1 |r| Show InChI InChI=1S/C36H29Cl2FN4O4/c1-2-47-22-6-3-5-19(15-22)18-43-29-13-14-42-28-12-9-20(34(44)45)16-27(28)40-33(42)30(29)31(23-7-4-8-25(38)32(23)39)36(43)24-11-10-21(37)17-26(24)41-35(36)46/h3-12,15-17,29-31H,2,13-14,18H2,1H3,(H,41,46)(H,44,45)/t29-,30+,31-,36+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454431 (US10717742, Example Ib-154 | US10717742, Example I...) Show SMILES OC(=O)c1ccc2nc3[C@@H]4[C@H](CCn3c2c1)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C31H25Cl2FN4O3/c32-17-7-8-19-22(13-17)36-30(41)31(19)26(18-2-1-3-20(33)27(18)34)25-23(38(31)14-15-4-5-15)10-11-37-24-12-16(29(39)40)6-9-21(24)35-28(25)37/h1-3,6-9,12-13,15,23,25-26H,4-5,10-11,14H2,(H,36,41)(H,39,40)/t23-,25+,26-,31+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454434 (US10717742, Example Ib-157 | US10882866, Example I...) Show SMILES COc1cc2n3CC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)c3nc2cc1C(O)=O |r| Show InChI InChI=1S/C32H27Cl2FN4O4/c1-43-25-13-24-22(12-18(25)30(40)41)36-29-26-23(9-10-38(24)29)39(14-15-5-6-15)32(27(26)17-3-2-4-20(34)28(17)35)19-8-7-16(33)11-21(19)37-31(32)42/h2-4,7-8,11-13,15,23,26-27H,5-6,9-10,14H2,1H3,(H,37,42)(H,40,41)/t23-,26+,27-,32+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454440 (US10717742, Example Ib-163 | US10882866, Example I...) Show SMILES OC(=O)c1cc2nc3[C@@H]4[C@H](CCn3c2cc1F)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C31H24Cl2F2N4O3/c32-15-6-7-18-21(10-15)37-30(42)31(18)26(16-2-1-3-19(33)27(16)35)25-23(39(31)13-14-4-5-14)8-9-38-24-12-20(34)17(29(40)41)11-22(24)36-28(25)38/h1-3,6-7,10-12,14,23,25-26H,4-5,8-9,13H2,(H,37,42)(H,40,41)/t23-,25+,26-,31+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454448 (US10717742, Example Ib-175 | US10717742, Example I...) Show SMILES OC(=O)c1ccc2n3C[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)c3nc2c1 |r| Show InChI InChI=1S/C30H23Cl2FN4O3/c31-16-7-8-18-20(11-16)35-29(40)30(18)25(17-2-1-3-19(32)26(17)33)24-23(37(30)12-14-4-5-14)13-36-22-9-6-15(28(38)39)10-21(22)34-27(24)36/h1-3,6-11,14,23-25H,4-5,12-13H2,(H,35,40)(H,38,39)/t23-,24+,25-,30+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454451 (US10717742, Example Ib-178 | US10717742, Example I...) Show SMILES OC(=O)c1ccc2nc3[C@@H]4[C@H](Cn3c2c1)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C30H23Cl2FN4O3/c31-16-7-8-18-21(11-16)35-29(40)30(18)25(17-2-1-3-19(32)26(17)33)24-23(37(30)12-14-4-5-14)13-36-22-10-15(28(38)39)6-9-20(22)34-27(24)36/h1-3,6-11,14,23-25H,4-5,12-13H2,(H,35,40)(H,38,39)/t23-,24+,25-,30+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454454 (US10717742, Example Ib-183 | US10717742, Example I...) Show SMILES COCc1cccc(CN2[C@H]3Cn4c(nc5cc(ccc45)C(O)=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1 |r| Show InChI InChI=1S/C35H27Cl2FN4O4/c1-46-17-19-5-2-4-18(12-19)15-42-28-16-41-27-11-8-20(33(43)44)13-26(27)39-32(41)29(28)30(22-6-3-7-24(37)31(22)38)35(42)23-10-9-21(36)14-25(23)40-34(35)45/h2-14,28-30H,15-17H2,1H3,(H,40,45)(H,43,44)/t28-,29+,30-,35+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454459 (US10717742, Example Ib-189 | US10717742, Example I...) Show SMILES Cc1c(ccc2n3C[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)c3nc12)C(O)=O |r| Show InChI InChI=1S/C31H25Cl2FN4O3/c1-14-17(29(39)40)8-10-22-27(14)36-28-24-23(13-37(22)28)38(12-15-5-6-15)31(25(24)18-3-2-4-20(33)26(18)34)19-9-7-16(32)11-21(19)35-30(31)41/h2-4,7-11,15,23-25H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t23-,24+,25-,31+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454464 (US10717742, Example Ib-197 | US10882866, Example I...) Show SMILES OC(=O)c1cc2nc3[C@@H]4[C@H](Cn3c2cc1OC(F)(F)F)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C31H22Cl2F4N4O4/c32-14-6-7-17-19(8-14)39-29(44)30(17)25(15-2-1-3-18(33)26(15)34)24-22(41(30)11-13-4-5-13)12-40-21-10-23(45-31(35,36)37)16(28(42)43)9-20(21)38-27(24)40/h1-3,6-10,13,22,24-25H,4-5,11-12H2,(H,39,44)(H,42,43)/t22-,24+,25-,30+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454468 (US10717742, Example Ib-204 | US10717742, Example I...) Show SMILES Cc1c(ccc2nc3[C@@H]4[C@H](CCn3c12)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12)C(O)=O |r| Show InChI InChI=1S/C32H27Cl2FN4O3/c1-15-18(30(40)41)8-10-22-28(15)38-12-11-24-25(29(38)36-22)26(19-3-2-4-21(34)27(19)35)32(39(24)14-16-5-6-16)20-9-7-17(33)13-23(20)37-31(32)42/h2-4,7-10,13,16,24-26H,5-6,11-12,14H2,1H3,(H,37,42)(H,40,41)/t24-,25+,26-,32+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454497 (US10717742, Example Ib-234) Show SMILES COc1cc2n3CC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC(C)C)C(=O)Nc4cc(Cl)ccc54)c3nc2cc1C(N)=O |r| Show InChI InChI=1S/C32H30Cl2FN5O3/c1-15(2)14-40-23-9-10-39-24-13-25(43-3)18(29(36)41)12-22(24)37-30(39)26(23)27(17-5-4-6-20(34)28(17)35)32(40)19-8-7-16(33)11-21(19)38-31(32)42/h4-8,11-13,15,23,26-27H,9-10,14H2,1-3H3,(H2,36,41)(H,38,42)/t23-,26+,27-,32+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454504 (US10717742, Example Ib-241 | US10717742, Example I...) Show SMILES CCOc1cccc(CN2[C@H]3Cn4c(nc5cc(ccc45)C(N)=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1 |r| Show InChI InChI=1S/C35H28Cl2FN5O3/c1-2-46-21-6-3-5-18(13-21)16-43-28-17-42-27-12-9-19(32(39)44)14-26(27)40-33(42)29(28)30(22-7-4-8-24(37)31(22)38)35(43)23-11-10-20(36)15-25(23)41-34(35)45/h3-15,28-30H,2,16-17H2,1H3,(H2,39,44)(H,41,45)/t28-,29+,30-,35+/m0/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 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					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] ()	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] ()	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] ()	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] ()	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] ()	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] ()	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] ()	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] ()	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
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454369 (US10717742, Example Ia-25 | US10882866, Example Ia...) Show SMILES OC(=O)c1ccc2c3C[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1 |r| Show InChI InChI=1S/C30H23Cl2FN4O3/c31-16-7-9-19-22(11-16)34-29(40)30(19)25(18-2-1-3-20(32)26(18)33)27-24(36(30)13-14-4-5-14)12-23-17-8-6-15(28(38)39)10-21(17)35-37(23)27/h1-3,6-11,14,24-25,27H,4-5,12-13H2,(H,34,40)(H,38,39)/t24-,25-,27+,30+/m0/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 This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...				US Patent US10882866 (2021) BindingDB Entry DOI: 10.7270/Q2J67M16
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454371 (US10717742, Example Ia-27 | US10882866, Example Ia...) Show SMILES CC(C)CN1[C@H]2Cc3n(nc4cc(ccc34)C(O)=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C30H25Cl2FN4O3/c1-14(2)13-36-24-12-23-17-8-6-15(28(38)39)10-21(17)35-37(23)27(24)25(18-4-3-5-20(32)26(18)33)30(36)19-9-7-16(31)11-22(19)34-29(30)40/h3-11,14,24-25,27H,12-13H2,1-2H3,(H,34,40)(H,38,39)/t24-,25-,27+,30+/m0/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 This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...				US Patent US10882866 (2021) BindingDB Entry DOI: 10.7270/Q2J67M16
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454372 (US10717742, Example Ia-29 | US10882866, Example Ia...) Show SMILES CCCN1[C@H]2Cc3n(nc4cc(ccc34)C(O)=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C29H23Cl2FN4O3/c1-2-10-35-23-13-22-16-8-6-14(27(37)38)11-20(16)34-36(22)26(23)24(17-4-3-5-19(31)25(17)32)29(35)18-9-7-15(30)12-21(18)33-28(29)39/h3-9,11-12,23-24,26H,2,10,13H2,1H3,(H,33,39)(H,37,38)/t23-,24-,26+,29+/m0/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 This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...				US Patent US10882866 (2021) BindingDB Entry DOI: 10.7270/Q2J67M16
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454373 (US10717742, Example Ia-30 | US10882866, Example Ia...) Show SMILES CCN1[C@H]2Cc3n(nc4cc(ccc34)C(O)=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C28H21Cl2FN4O3/c1-2-34-22-12-21-15-8-6-13(26(36)37)10-19(15)33-35(21)25(22)23(16-4-3-5-18(30)24(16)31)28(34)17-9-7-14(29)11-20(17)32-27(28)38/h3-11,22-23,25H,2,12H2,1H3,(H,32,38)(H,36,37)/t22-,23-,25+,28+/m0/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 This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...				US Patent US10882866 (2021) BindingDB Entry DOI: 10.7270/Q2J67M16
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454376 (US10717742, Example Ia-32 | US10882866, Example Ia...) Show SMILES CCOc1cccc(CN2[C@H]3Cc4n(nc5cc(ccc45)C(O)=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1 |r| Show InChI InChI=1S/C35H27Cl2FN4O4/c1-2-46-21-6-3-5-18(13-21)17-41-29-16-28-22-11-9-19(33(43)44)14-26(22)40-42(28)32(29)30(23-7-4-8-25(37)31(23)38)35(41)24-12-10-20(36)15-27(24)39-34(35)45/h3-15,29-30,32H,2,16-17H2,1H3,(H,39,45)(H,43,44)/t29-,30-,32+,35+/m0/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 This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...				US Patent US10882866 (2021) BindingDB Entry DOI: 10.7270/Q2J67M16
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454378 (US10717742, Example Ia-34 | US10882866, Example Ia...) Show SMILES Cc1c(ccc2c3C[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc12)C(O)=O |r| Show InChI InChI=1S/C31H25Cl2FN4O3/c1-14-17(29(39)40)8-9-18-23-12-24-28(38(23)36-27(14)18)25(19-3-2-4-21(33)26(19)34)31(37(24)13-15-5-6-15)20-10-7-16(32)11-22(20)35-30(31)41/h2-4,7-11,15,24-25,28H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t24-,25-,28+,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE 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 This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...				US Patent US10882866 (2021) BindingDB Entry DOI: 10.7270/Q2J67M16
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454379 (US10717742, Example Ia-35 | US10882866, Example Ia...) Show SMILES COc1cc2c3C[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2cc1C(O)=O |r| Show InChI InChI=1S/C31H25Cl2FN4O4/c1-42-25-11-17-21(10-18(25)29(39)40)36-38-23(17)12-24-28(38)26(16-3-2-4-20(33)27(16)34)31(37(24)13-14-5-6-14)19-8-7-15(32)9-22(19)35-30(31)41/h2-4,7-11,14,24,26,28H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t24-,26-,28+,31+/m0/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 This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...				US Patent US10882866 (2021) BindingDB Entry DOI: 10.7270/Q2J67M16
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454381 (US10717742, Example Ia-38 | US10882866, Example Ia...) Show SMILES OC(=O)c1ccc2nn3[C@@H]4[C@H](Cc3c2c1)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C30H23Cl2FN4O3/c31-16-7-8-19-22(11-16)34-29(40)30(19)25(17-2-1-3-20(32)26(17)33)27-24(36(30)13-14-4-5-14)12-23-18-10-15(28(38)39)6-9-21(18)35-37(23)27/h1-3,6-11,14,24-25,27H,4-5,12-13H2,(H,34,40)(H,38,39)/t24-,25-,27+,30+/m0/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 This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...				US Patent US10882866 (2021) BindingDB Entry DOI: 10.7270/Q2J67M16
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454383 (US10717742, Example Ia-40 | US10882866, Example Ia...) Show SMILES CCOc1cccc(CN2[C@H]3Cc4n(nc5cc(C(O)=O)c(C)cc45)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1 |r| Show InChI InChI=1S/C36H29Cl2FN4O4/c1-3-47-21-7-4-6-19(13-21)17-42-30-16-29-24-12-18(2)23(34(44)45)15-27(24)41-43(29)33(30)31(22-8-5-9-26(38)32(22)39)36(42)25-11-10-20(37)14-28(25)40-35(36)46/h4-15,30-31,33H,3,16-17H2,1-2H3,(H,40,46)(H,44,45)/t30-,31-,33+,36+/m0/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 This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...				US Patent US10882866 (2021) BindingDB Entry DOI: 10.7270/Q2J67M16
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454385 (US10717742, Example Ia-43 | US10882866, Example Ia...) Show SMILES OC(=O)c1ccc2c3C[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4nc(Cl)ccc54)n3nc2c1 |r| Show InChI InChI=1S/C29H22Cl2FN5O3/c30-18-3-1-2-16(24(18)32)23-25-21(11-20-15-7-6-14(27(38)39)10-19(15)35-37(20)25)36(12-13-4-5-13)29(23)17-8-9-22(31)33-26(17)34-28(29)40/h1-3,6-10,13,21,23,25H,4-5,11-12H2,(H,38,39)(H,33,34,40)/t21-,23-,25+,29+/m0/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 This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...				US Patent US10882866 (2021) BindingDB Entry DOI: 10.7270/Q2J67M16
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454403 (US10717742, Example Ib-106 | US10717742, Example I...) Show SMILES OC(=O)c1ccc2n3CC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)c3nc2c1 |r| Show InChI InChI=1S/C31H25Cl2FN4O3/c32-17-7-8-19-21(13-17)36-30(41)31(19)26(18-2-1-3-20(33)27(18)34)25-24(38(31)14-15-4-5-15)10-11-37-23-9-6-16(29(39)40)12-22(23)35-28(25)37/h1-3,6-9,12-13,15,24-26H,4-5,10-11,14H2,(H,36,41)(H,39,40)/t24-,25+,26-,31+/m0/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 This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...				US Patent US10882866 (2021) BindingDB Entry DOI: 10.7270/Q2J67M16
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454422 (US10717742, Example Ib-139 | US10717742, Example I...) Show SMILES CCOc1cccc(CN2[C@H]3CCn4c(nc5cc(ccc45)C(O)=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1 |r| Show InChI InChI=1S/C36H29Cl2FN4O4/c1-2-47-22-6-3-5-19(15-22)18-43-29-13-14-42-28-12-9-20(34(44)45)16-27(28)40-33(42)30(29)31(23-7-4-8-25(38)32(23)39)36(43)24-11-10-21(37)17-26(24)41-35(36)46/h3-12,15-17,29-31H,2,13-14,18H2,1H3,(H,41,46)(H,44,45)/t29-,30+,31-,36+/m0/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 This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...				US Patent US10882866 (2021) BindingDB Entry DOI: 10.7270/Q2J67M16
					More data for this Ligand-Target Pair

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