Compile Data Set for Download or QSAR

Found 284 hits Enz. Inhib. hit(s) with Target = 'Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188]'   

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
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236338 (US9365576, 91) Show SMILES COc1ccc(CC(O)=O)cc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C |r| Show InChI InChI=1S/C31H28Cl2N2O4/c1-17(2)34-26(23-13-19(14-28(36)37)6-12-27(23)39-4)16-24-30(34)29(20-7-10-21(32)11-8-20)35(31(24)38)25-15-22(33)9-5-18(25)3/h5-13,15-17,29H,14H2,1-4H3,(H,36,37)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0610	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236270 (US9365576, 23) Show SMILES COc1ncc(-c2cc3C(=O)N([C@H](c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)ccc2C)c(OC)n1 |r| Show InChI InChI=1S/C28H26Cl2N4O3/c1-15(2)33-23(21-14-31-28(37-5)32-26(21)36-4)13-20-25(33)24(17-7-10-18(29)11-8-17)34(27(20)35)22-12-19(30)9-6-16(22)3/h6-15,24H,1-5H3/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0650	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236261 (US9365576, 14) Show SMILES COc1ncc(-c2cc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)ccc2C)c(OC)n1 Show InChI InChI=1S/C28H26Cl2N4O3/c1-15(2)33-23(21-14-31-28(37-5)32-26(21)36-4)13-20-25(33)24(17-7-10-18(29)11-8-17)34(27(20)35)22-12-19(30)9-6-16(22)3/h6-15,24H,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0680	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236476 (US9365576, 232) Show SMILES COc1nc(ncc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(cc1)C#N)c1cc(Cl)c(=O)n(C)c1)N(C)C |r| Show InChI InChI=1S/C29H28ClN7O3/c1-16(2)36-23(21-14-32-29(34(3)4)33-26(21)40-6)12-20-25(36)24(18-9-7-17(13-31)8-10-18)37(27(20)38)19-11-22(30)28(39)35(5)15-19/h7-12,14-16,24H,1-6H3/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0690	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236471 (US9365576, 227) Show SMILES COc1nc(ncc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)c(F)c1)c1cc(Cl)c[nH]c1=O)N(C)C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0710	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236267 (US9365576, 20) Show SMILES COc1ccc(cc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(=O)N(C)C |r| Show InChI InChI=1S/C32H31Cl2N3O3/c1-18(2)36-27(24-15-21(31(38)35(4)5)10-14-28(24)40-6)17-25-30(36)29(20-8-12-22(33)13-9-20)37(32(25)39)26-16-23(34)11-7-19(26)3/h7-18,29H,1-6H3/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0750	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236473 (US9365576, 229) Show SMILES COC[C@@H](C)n1c(cc2C(=O)N([C@H](c12)c1ccc(Cl)cc1)c1ccc(F)c(Cl)c1)-c1cnc(N)nc1OC |r| Show InChI InChI=1S/C27H24Cl2FN5O3/c1-14(13-37-2)34-22(19-12-32-27(31)33-25(19)38-3)11-18-24(34)23(15-4-6-16(28)7-5-15)35(26(18)36)17-8-9-21(30)20(29)10-17/h4-12,14,23H,13H2,1-3H3,(H2,31,32,33)/t14-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0780	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236435 (US9365576, 188) Show SMILES COc1nc(ncc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1)c1c[nH]c(=O)c(Cl)c1)N(C)C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0790	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236336 (US9365576, 89) Show SMILES COc1ccc(cc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(O)=O |r| Show InChI InChI=1S/C30H26Cl2N2O4/c1-16(2)33-25(22-13-19(30(36)37)8-12-26(22)38-4)15-23-28(33)27(18-6-10-20(31)11-7-18)34(29(23)35)24-14-21(32)9-5-17(24)3/h5-16,27H,1-4H3,(H,36,37)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236368 (US9365576, 121 | US9365576, 218) Show SMILES COc1ncc(-c2cc3C(=O)N([C@H](c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)c(=O)n(C)c2)c(OC)n1 |r| Show InChI InChI=1S/C27H25Cl2N5O4/c1-14(2)33-21(19-12-30-27(38-5)31-24(19)37-4)11-18-23(33)22(15-6-8-16(28)9-7-15)34(25(18)35)17-10-20(29)26(36)32(3)13-17/h6-14,22H,1-5H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0870	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236279 (US9365576, 32) Show SMILES CNC(=O)c1ccc(OC)c(c1)-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C |r| Show InChI InChI=1S/C32H31Cl2N3O3/c1-17(2)36-27(24-14-20(31(38)35-5)8-12-28(24)40-6)16-25-30(36)29(23-11-10-21(33)13-19(23)4)37(32(25)39)26-15-22(34)9-7-18(26)3/h7-17,29H,1-6H3,(H,35,38)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0940	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236265 (US9365576, 18) Show SMILES CNC(=O)c1ccc(OC)c(c1)-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C |r| Show InChI InChI=1S/C31H29Cl2N3O3/c1-17(2)35-26(23-14-20(30(37)34-4)9-13-27(23)39-5)16-24-29(35)28(19-7-11-21(32)12-8-19)36(31(24)38)25-15-22(33)10-6-18(25)3/h6-17,28H,1-5H3,(H,34,37)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0950	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236308 (US9365576, 61) Show SMILES COc1ccc(cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(N)=O Show InChI InChI=1S/C30H27Cl2N3O3/c1-16(2)34-25(22-13-19(29(33)36)8-12-26(22)38-4)15-23-28(34)27(18-6-10-20(31)11-7-18)35(30(23)37)24-14-21(32)9-5-17(24)3/h5-16,27H,1-4H3,(H2,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.104	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236275 (US9365576, 28) Show SMILES COc1ccc(cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(=O)N1CCOCC1 Show InChI InChI=1S/C34H33Cl2N3O4/c1-20(2)38-29(26-17-23(8-12-30(26)42-4)33(40)37-13-15-43-16-14-37)19-27-32(38)31(22-6-10-24(35)11-7-22)39(34(27)41)28-18-25(36)9-5-21(28)3/h5-12,17-20,31H,13-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.106	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236368 (US9365576, 121 | US9365576, 218) Show SMILES COc1ncc(-c2cc3C(=O)N([C@H](c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)c(=O)n(C)c2)c(OC)n1 |r| Show InChI InChI=1S/C27H25Cl2N5O4/c1-14(2)33-21(19-12-30-27(38-5)31-24(19)37-4)11-18-23(33)22(15-6-8-16(28)9-7-15)34(25(18)35)17-10-20(29)26(36)32(3)13-17/h6-14,22H,1-5H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.106	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236370 (US9365576, 123) Show SMILES COc1nc(ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c[nH]c1=O)N(C)C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.106	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236481 (US9365576, 237) Show SMILES COc1ncc(-c2cc3C(=O)N([C@H](c3n2C(C)C)c2ccc(C#N)c(F)c2)c2cc(Cl)c(=O)n(C)c2)c(OC)n1 |r| Show InChI InChI=1S/C28H24ClFN6O4/c1-14(2)35-22(19-12-32-28(40-5)33-25(19)39-4)10-18-24(35)23(15-6-7-16(11-31)21(30)8-15)36(26(18)37)17-9-20(29)27(38)34(3)13-17/h6-10,12-14,23H,1-5H3/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.107	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236433 (US9365576, 186) Show SMILES COc1ncc(-c2cc3C(=O)N([C@H](c3n2C(C)C)c2ccc(cc2)C#N)c2cc(Cl)c(=O)n(C)c2)c(OC)n1 |r| Show InChI InChI=1S/C28H25ClN6O4/c1-15(2)34-22(20-13-31-28(39-5)32-25(20)38-4)11-19-24(34)23(17-8-6-16(12-30)7-9-17)35(26(19)36)18-10-21(29)27(37)33(3)14-18/h6-11,13-15,23H,1-5H3/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.108	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236396 (US9365576, 149) Show SMILES COc1cn(C)c(=O)cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C Show InChI InChI=1S/C29H27Cl2N3O3/c1-16(2)33-24(21-14-26(35)32(4)15-25(21)37-5)13-22-28(33)27(18-7-10-19(30)11-8-18)34(29(22)36)23-12-20(31)9-6-17(23)3/h6-16,27H,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236258 (US9365576, 11) Show SMILES COc1ccc(CO)cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C Show InChI InChI=1S/C30H28Cl2N2O3/c1-17(2)33-26(23-13-19(16-35)6-12-27(23)37-4)15-24-29(33)28(20-7-10-21(31)11-8-20)34(30(24)36)25-14-22(32)9-5-18(25)3/h5-15,17,28,35H,16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.113	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236283 (US9365576, 36) Show SMILES COc1ccc(cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(=O)NCCS(C)(=O)=O Show InChI InChI=1S/C33H33Cl2N3O5S/c1-19(2)37-28(25-16-22(9-13-29(25)43-4)32(39)36-14-15-44(5,41)42)18-26-31(37)30(21-7-11-23(34)12-8-21)38(33(26)40)27-17-24(35)10-6-20(27)3/h6-13,16-19,30H,14-15H2,1-5H3,(H,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.115	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236327 (US9365576, 80) Show SMILES COc1ccc(CC(N)=O)cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C Show InChI InChI=1S/C31H29Cl2N3O3/c1-17(2)35-26(23-13-19(14-28(34)37)6-12-27(23)39-4)16-24-30(35)29(20-7-10-21(32)11-8-20)36(31(24)38)25-15-22(33)9-5-18(25)3/h5-13,15-17,29H,14H2,1-4H3,(H2,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.115	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236257 (US9365576, 10) Show SMILES CNC(=O)c1ccc(OC)c(c1)-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C Show InChI InChI=1S/C31H29Cl2N3O3/c1-17(2)35-26(23-14-20(30(37)34-4)9-13-27(23)39-5)16-24-29(35)28(19-7-11-21(32)12-8-19)36(31(24)38)25-15-22(33)10-6-18(25)3/h6-17,28H,1-5H3,(H,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.116	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236450 (US9365576, 203) Show SMILES COc1nc(ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)c(F)c1)c1cc(Cl)c[nH]c1=O)N(C)C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.119	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236254 (US9365576, 7) Show SMILES CNC(=O)c1ccc(OC)c(c1)-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F |r| Show InChI InChI=1S/C31H28Cl2FN3O3/c1-16(2)36-25(21-14-18(30(38)35-4)9-12-26(21)40-5)15-22-29(36)28(20-11-10-19(32)13-17(20)3)37(31(22)39)24-8-6-7-23(33)27(24)34/h6-16,28H,1-5H3,(H,35,38)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.119	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236411 (US9365576, 164) Show SMILES COc1nc(ncc1-c1c(C#N)c2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1)N(C)C |(4.29,5.6,;3.52,4.26,;4.29,2.93,;5.83,2.93,;6.6,1.6,;5.83,.26,;4.29,.26,;3.52,1.6,;1.98,1.6,;1.08,2.84,;1.85,4.18,;2.62,5.51,;-.38,2.37,;-1.85,2.84,;-2.62,4.18,;-2.75,1.6,;-1.85,.35,;-.38,.83,;1.08,.35,;1.48,-1.14,;2.97,-1.53,;.39,-2.22,;-2.25,-1.14,;-3.74,-1.53,;-4.13,-3.02,;-3.05,-4.11,;-3.44,-5.6,;-1.56,-3.71,;-1.16,-2.22,;-4.29,1.6,;-5.06,2.93,;-6.6,2.93,;-7.37,4.26,;-7.37,1.6,;-8.91,1.6,;-6.6,.26,;-7.37,-1.07,;-5.06,.26,;8.14,1.6,;8.91,.26,;8.91,2.93,)| Show InChI InChI=1S/C29H27Cl2N7O3/c1-15(2)37-24(20-13-33-29(35(3)4)34-26(20)41-6)19(12-32)22-25(37)23(16-7-9-17(30)10-8-16)38(28(22)40)18-11-21(31)27(39)36(5)14-18/h7-11,13-15,23H,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.121	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236403 (US9365576, 156) Show SMILES COc1ncc(-c2cc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)c(=O)n(C)c2F)c(OC)n1 Show InChI InChI=1S/C27H24Cl2FN5O4/c1-13(2)34-19(17-12-31-27(39-5)32-24(17)38-4)10-16-22(34)21(14-6-8-15(28)9-7-14)35(25(16)36)20-11-18(29)26(37)33(3)23(20)30/h6-13,21H,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.122	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236284 (US9365576, 37) Show SMILES COc1ccc(cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(=O)NOCCO Show InChI InChI=1S/C32H31Cl2N3O5/c1-18(2)36-27(24-15-21(8-12-28(24)41-4)31(39)35-42-14-13-38)17-25-30(36)29(20-6-10-22(33)11-7-20)37(32(25)40)26-16-23(34)9-5-19(26)3/h5-12,15-18,29,38H,13-14H2,1-4H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.125	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236439 (US9365576, 192) Show SMILES COc1ncc(-c2cc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)c(F)c2)c2cc(Cl)c(=O)n(C)c2)c(OC)n1 Show InChI InChI=1S/C27H24Cl2FN5O4/c1-13(2)34-21(17-11-31-27(39-5)32-24(17)38-4)10-16-23(34)22(14-6-7-18(28)20(30)8-14)35(25(16)36)15-9-19(29)26(37)33(3)12-15/h6-13,22H,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.128	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236383 (US9365576, 136) Show SMILES COc1nc(ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(cc1)C#N)c1c[nH]c(=O)c(Cl)c1)N(C)C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.131	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236470 (US9365576, 226) Show SMILES COc1nc(ncc1-c1c(C(O)=O)c2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1)N(C)C |(4.29,5.54,;3.52,4.21,;4.29,2.87,;5.83,2.87,;6.6,1.54,;5.83,.2,;4.29,.2,;3.52,1.54,;1.98,1.54,;1.08,2.78,;1.08,4.32,;1.85,5.66,;-.46,4.32,;-.39,2.31,;-1.85,2.78,;-2.62,4.12,;-2.75,1.54,;-1.85,.29,;-.39,.77,;1.08,.29,;1.48,-1.2,;.39,-2.28,;2.97,-1.59,;-2.25,-1.2,;-3.74,-1.59,;-4.13,-3.08,;-3.05,-4.17,;-3.44,-5.66,;-1.56,-3.77,;-1.16,-2.28,;-4.29,1.54,;-5.06,.2,;-6.6,.2,;-7.37,-1.13,;-7.37,1.54,;-8.91,1.54,;-6.6,2.87,;-7.37,4.21,;-5.06,2.87,;8.14,1.54,;8.91,2.87,;8.91,.2,)| Show InChI InChI=1S/C29H28Cl2N6O5/c1-14(2)36-23(18-12-32-29(34(3)4)33-25(18)42-6)21(28(40)41)20-24(36)22(15-7-9-16(30)10-8-15)37(27(20)39)17-11-19(31)26(38)35(5)13-17/h7-14,22H,1-6H3,(H,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.132	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236262 (US9365576, 15) Show SMILES COc1ccc(cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(=O)N(C)C Show InChI InChI=1S/C32H31Cl2N3O3/c1-18(2)36-27(24-15-21(31(38)35(4)5)10-14-28(24)40-6)17-25-30(36)29(20-8-12-22(33)13-9-20)37(32(25)39)26-16-23(34)11-7-19(26)3/h7-18,29H,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.133	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236464 (US9365576, 220) Show SMILES CCOC(=O)c1c2C(=O)N(C(c2n(C(C)C)c1-c1cnc(OC)nc1OC)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1 |(3.26,6.8,;2.17,5.71,;2.57,4.22,;1.48,3.13,;.39,4.22,;1.08,1.64,;-.38,1.17,;-1.85,1.64,;-2.62,2.98,;-2.75,.4,;-1.85,-.85,;-.38,-.37,;1.08,-.85,;1.48,-2.33,;.39,-3.42,;2.97,-2.73,;1.98,.4,;3.52,.4,;4.29,-.94,;5.83,-.94,;6.6,.4,;8.14,.4,;8.91,-.94,;5.83,1.73,;4.29,1.73,;3.52,3.07,;4.29,4.4,;-2.25,-2.33,;-3.74,-2.73,;-4.13,-4.22,;-3.05,-5.31,;-3.44,-6.8,;-1.56,-4.91,;-1.16,-3.42,;-4.29,.4,;-5.06,1.73,;-6.6,1.73,;-7.37,3.07,;-7.37,.4,;-8.91,.4,;-6.6,-.94,;-7.37,-2.27,;-5.06,-.94,)| Show InChI InChI=1S/C30H29Cl2N5O6/c1-7-43-29(40)22-21-25(36(15(2)3)24(22)19-13-33-30(42-6)34-26(19)41-5)23(16-8-10-17(31)11-9-16)37(28(21)39)18-12-20(32)27(38)35(4)14-18/h8-15,23H,7H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.134	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236299 (US9365576, 52) Show SMILES COc1nc(ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1)N(C)C Show InChI InChI=1S/C28H28Cl2N6O3/c1-15(2)35-22(20-13-31-28(33(3)4)32-25(20)39-6)12-19-24(35)23(16-7-9-17(29)10-8-16)36(26(19)37)18-11-21(30)27(38)34(5)14-18/h7-15,23H,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.137	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236296 (US9365576, 49) Show SMILES CNC(=O)c1ccc(OC)c(c1)-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1 Show InChI InChI=1S/C30H28Cl2N4O4/c1-16(2)35-24(21-12-18(28(37)33-3)8-11-25(21)40-5)14-22-27(35)26(17-6-9-19(31)10-7-17)36(29(22)38)20-13-23(32)30(39)34(4)15-20/h6-16,26H,1-5H3,(H,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.137	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236440 (US9365576, 193) Show SMILES COc1nc(ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)c(F)c1)c1cc(Cl)c(=O)n(C)c1)N(C)C Show InChI InChI=1S/C28H27Cl2FN6O3/c1-14(2)36-22(18-12-32-28(34(3)4)33-25(18)40-6)11-17-24(36)23(15-7-8-19(29)21(31)9-15)37(26(17)38)16-10-20(30)27(39)35(5)13-16/h7-14,23H,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.139	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236465 (US9365576, 221) Show SMILES COc1ncc(-c2c(C(O)=O)c3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)c(=O)n(C)c2)c(OC)n1 |(8.91,.26,;8.14,1.6,;6.6,1.6,;5.83,.26,;4.29,.26,;3.52,1.6,;1.98,1.6,;1.08,2.84,;1.48,4.33,;2.57,5.42,;.39,5.42,;-.38,2.37,;-1.85,2.84,;-2.62,4.18,;-2.75,1.6,;-1.85,.35,;-.38,.83,;1.08,.35,;1.48,-1.14,;.39,-2.22,;2.97,-1.53,;-2.25,-1.14,;-3.74,-1.53,;-4.13,-3.02,;-3.05,-4.11,;-3.44,-5.6,;-1.56,-3.71,;-1.16,-2.22,;-4.29,1.6,;-5.06,2.93,;-6.6,2.93,;-7.37,4.26,;-7.37,1.6,;-8.91,1.6,;-6.6,.26,;-7.37,-1.07,;-5.06,.26,;4.29,2.93,;3.52,4.26,;4.29,5.6,;5.83,2.93,)| Show InChI InChI=1S/C28H25Cl2N5O6/c1-13(2)34-22(17-11-31-28(41-5)32-24(17)40-4)20(27(38)39)19-23(34)21(14-6-8-15(29)9-7-14)35(26(19)37)16-10-18(30)25(36)33(3)12-16/h6-13,21H,1-5H3,(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236407 (US9365576, 160) Show SMILES COc1ncc(-c2cc3C(=O)N([C@H](c3n2C(C)C)c2ccc(Cl)cc2C)c2cc(Cl)c(=O)n(C)c2)c(OC)n1 |r| Show InChI InChI=1S/C28H27Cl2N5O4/c1-14(2)34-22(20-12-31-28(39-6)32-25(20)38-5)11-19-24(34)23(18-8-7-16(29)9-15(18)3)35(26(19)36)17-10-21(30)27(37)33(4)13-17/h7-14,23H,1-6H3/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.144	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236328 (US9365576, 81) Show SMILES CNC(=O)Cc1ccc(OC)c(c1)-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C Show InChI InChI=1S/C32H31Cl2N3O3/c1-18(2)36-27(24-14-20(15-29(38)35-4)7-13-28(24)40-5)17-25-31(36)30(21-8-11-22(33)12-9-21)37(32(25)39)26-16-23(34)10-6-19(26)3/h6-14,16-18,30H,15H2,1-5H3,(H,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.148	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236294 (US9365576, 47) Show SMILES COc1ccc(cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C33H32Cl2N4O5/c1-19(2)38-27(24-15-21(7-10-28(24)43-4)31(40)37-11-13-44-14-12-37)17-25-30(38)29(20-5-8-22(34)9-6-20)39(32(25)41)23-16-26(35)33(42)36(3)18-23/h5-10,15-19,29H,11-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236329 (US9365576, 82) Show SMILES COc1ccc(CC(=O)N(C)C)cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C Show InChI InChI=1S/C33H33Cl2N3O3/c1-19(2)37-28(25-15-21(8-14-29(25)41-6)16-30(39)36(4)5)18-26-32(37)31(22-9-12-23(34)13-10-22)38(33(26)40)27-17-24(35)11-7-20(27)3/h7-15,17-19,31H,16H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.152	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236307 (US9365576, 60) Show SMILES COc1ccc(CC(O)=O)cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C Show InChI InChI=1S/C31H28Cl2N2O4/c1-17(2)34-26(23-13-19(14-28(36)37)6-12-27(23)39-4)16-24-30(34)29(20-7-10-21(32)11-8-20)35(31(24)38)25-15-22(33)9-5-18(25)3/h5-13,15-17,29H,14H2,1-4H3,(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.155	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236456 (US9365576, 209) Show SMILES COc1nc(ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1c(F)c(C)nn1C)N(C)C Show InChI InChI=1S/C27H29ClFN7O2/c1-14(2)35-20(19-13-30-27(33(4)5)31-24(19)38-7)12-18-23(35)22(16-8-10-17(28)11-9-16)36(26(18)37)25-21(29)15(3)32-34(25)6/h8-14,22H,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.158	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236320 (US9365576, 73) Show SMILES COc1nc(ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)cn(C)c1=O)N(C)C Show InChI InChI=1S/C28H28Cl2N6O3/c1-15(2)35-21(20-13-31-28(33(3)4)32-25(20)39-6)12-19-24(35)23(16-7-9-17(29)10-8-16)36(26(19)37)22-11-18(30)14-34(5)27(22)38/h7-15,23H,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.161	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236406 (US9365576, 159) Show SMILES COc1nc(ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)C1CN(C)C(=O)N(C)C1)N(C)C Show InChI InChI=1S/C28H34ClN7O3/c1-16(2)35-22(21-13-30-27(32(3)4)31-25(21)39-7)12-20-24(35)23(17-8-10-18(29)11-9-17)36(26(20)37)19-14-33(5)28(38)34(6)15-19/h8-13,16,19,23H,14-15H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.161	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236414 (US9365576, 167) Show SMILES COc1nc(ncc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(cc1)C#N)c1cc(Cl)c[nH]c1=O)N(C)C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.161	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236306 (US9365576, 59) Show SMILES COc1ccccc1-c1c(C#N)c2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C |(4.68,5.49,;3.91,4.15,;4.68,2.82,;6.22,2.82,;6.99,1.49,;6.22,.15,;4.68,.15,;3.91,1.49,;2.37,1.49,;1.46,2.73,;1.86,4.22,;2.26,5.71,;,2.26,;-1.46,2.73,;-2.23,4.07,;-2.37,1.49,;-1.46,.24,;,.72,;1.46,.24,;1.86,-1.25,;.77,-2.33,;3.35,-1.64,;-1.86,-1.25,;-3.35,-1.64,;-3.75,-3.13,;-2.66,-4.22,;-3.06,-5.71,;-1.17,-3.82,;-.77,-2.33,;-3.91,1.49,;-4.68,.15,;-6.22,.15,;-6.99,-1.18,;-6.99,1.49,;-6.22,2.82,;-4.68,2.82,;-3.91,4.15,)| Show InChI InChI=1S/C30H25Cl2N3O2/c1-17(2)34-28(22-7-5-6-8-25(22)37-4)23(16-33)26-29(34)27(19-10-13-20(31)14-11-19)35(30(26)36)24-15-21(32)12-9-18(24)3/h5-15,17,27H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.163	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236394 (US9365576, 147) Show SMILES COc1nc(ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)c(=O)n(C)c1)N(C)C Show InChI InChI=1S/C29H30Cl2N6O3/c1-15(2)36-23(21-13-32-29(34(4)5)33-26(21)40-7)12-20-25(36)24(19-9-8-17(30)10-16(19)3)37(27(20)38)18-11-22(31)28(39)35(6)14-18/h8-15,24H,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.164	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236399 (US9365576, 152) Show SMILES CNc1ncc(-c2cc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2)c2c[nH]c(=O)c(Cl)c2)c(OC)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.166	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236291 (US9365576, 44) Show SMILES COc1ncc(-c2cc3C(=O)N(C(c3n2C(C)C)c2ccc(cc2)C#N)c2cc(Cl)ccc2C)c(OC)n1 Show InChI InChI=1S/C29H26ClN5O3/c1-16(2)34-24(22-15-32-29(38-5)33-27(22)37-4)13-21-26(34)25(19-9-7-18(14-31)8-10-19)35(28(21)36)23-12-20(30)11-6-17(23)3/h6-13,15-16,25H,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.167	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair

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