Compile Data Set for Download or QSAR

Found 897 hits with Last Name = 'weinstabl' and Initial = 'h'   

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))	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))	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))	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))	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))	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
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 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 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 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))	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 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))	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 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))	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 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))	BDBM477202 (US10882866, Example Ib-234) Show SMILES COc1cc2n3CC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)c3nc2cc1C(N)=O |r| Show InChI InChI=1S/C32H28Cl2FN5O3/c1-43-25-13-24-22(12-18(25)29(36)41)37-30-26-23(9-10-39(24)30)40(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)38-31(32)42/h2-4,7-8,11-13,15,23,26-27H,5-6,9-10,14H2,1H3,(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 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))	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 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))	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
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
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 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))	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 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))	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 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 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 [23-127] (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
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519121 (CHEMBL4436264 | US11304929, Example 03-005) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)c(Cl)c(C)cc2n1C)c1ccc(cc1)S(=O)(=O)CC(O)=O |r| Show InChI InChI=1S/C21H20Cl2N2O5S/c1-11-8-16-15(20(23)19(11)22)9-17(25(16)3)21(28)24-12(2)13-4-6-14(7-5-13)31(29,30)10-18(26)27/h4-9,12H,10H2,1-3H3,(H,24,28)(H,26,27)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					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

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