Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50003129   

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
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50467282 (CHEMBL4290086) Show SMILES COc1ccccc1-c1nc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C |r| Show InChI InChI=1S/C29H27Cl2N3O2/c1-16(2)33-27-25(32-28(33)22-8-6-7-9-24(22)36-5)29(35)34(23-15-20(31)11-10-17(23)3)26(27)21-13-12-19(30)14-18(21)4/h6-16,26H,1-5H3/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0740	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Cy5-labeled p53 derived TFSDLWKLL peptide binding to C-terminal biotin-labelled human MDM2 (2 to 188 residues) by TR-FRET assay				Bioorg Med Chem Lett 28: 3404-3408 (2018) Article DOI: 10.1016/j.bmcl.2018.08.027 BindingDB Entry DOI: 10.7270/Q2C82D0H
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM129796 (US8815926, 75) Show SMILES COc1ncc(-c2nc3C(=O)N([C@H](c3n2C(C)C)c2ccc(Cl)cc2C)c2cc(Cl)ccc2C)c(OC)n1 |r| Show InChI InChI=1S/C28H27Cl2N5O3/c1-14(2)34-24-22(32-25(34)20-13-31-28(38-6)33-26(20)37-5)27(36)35(21-12-18(30)8-7-15(21)3)23(24)19-10-9-17(29)11-16(19)4/h7-14,23H,1-6H3/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Cy5-labeled p53 derived TFSDLWKLL peptide binding to C-terminal biotin-labelled human MDM2 (2 to 188 residues) by TR-FRET assay				Bioorg Med Chem Lett 28: 3404-3408 (2018) Article DOI: 10.1016/j.bmcl.2018.08.027 BindingDB Entry DOI: 10.7270/Q2C82D0H
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM143546 (US8969341, 141) Show SMILES COc1ccccc1-n1nc2C(=O)N([C@H](c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C |r| Show InChI InChI=1S/C29H27Cl2N3O2/c1-16(2)27-25-26(32-34(27)22-8-6-7-9-24(22)36-5)29(35)33(23-15-20(31)11-10-17(23)3)28(25)21-13-12-19(30)14-18(21)4/h6-16,28H,1-5H3/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Cy5-labeled p53 derived TFSDLWKLL peptide binding to C-terminal biotin-labelled human MDM2 (2 to 188 residues) by TR-FRET assay				Bioorg Med Chem Lett 28: 3404-3408 (2018) Article DOI: 10.1016/j.bmcl.2018.08.027 BindingDB Entry DOI: 10.7270/Q2C82D0H
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM129722 (US8815926, 1) Show SMILES COc1ccc(F)cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C Show InChI InChI=1S/C29H26Cl2FN3O2/c1-15(2)34-27-25(33-28(34)22-14-20(32)9-11-24(22)37-5)29(36)35(23-13-19(31)7-6-16(23)3)26(27)21-10-8-18(30)12-17(21)4/h6-15,26H,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Cy5-labeled p53 derived TFSDLWKLL peptide binding to C-terminal biotin-labelled human MDM2 (2 to 188 residues) by TR-FRET assay				Bioorg Med Chem Lett 28: 3404-3408 (2018) Article DOI: 10.1016/j.bmcl.2018.08.027 BindingDB Entry DOI: 10.7270/Q2C82D0H
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM129728 (US8815926, 7) Show SMILES COc1ncc(-c2nc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2C)c2cc(Cl)ccc2C)c(OC)n1 Show InChI InChI=1S/C28H27Cl2N5O3/c1-14(2)34-24-22(32-25(34)20-13-31-28(38-6)33-26(20)37-5)27(36)35(21-12-18(30)8-7-15(21)3)23(24)19-10-9-17(29)11-16(19)4/h7-14,23H,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Cy5-labeled p53 derived TFSDLWKLL peptide binding to C-terminal biotin-labelled human MDM2 (2 to 188 residues) by TR-FRET assay				Bioorg Med Chem Lett 28: 3404-3408 (2018) Article DOI: 10.1016/j.bmcl.2018.08.027 BindingDB Entry DOI: 10.7270/Q2C82D0H
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM129723 (US8815926, 2) Show SMILES COc1cccc(F)c1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C |(4.68,5.6,;3.91,4.26,;4.68,2.93,;6.22,2.93,;6.99,1.6,;6.22,.26,;4.68,.26,;3.91,-1.07,;3.91,1.6,;2.37,1.6,;1.46,2.84,;,2.37,;-1.46,2.84,;-2.23,4.18,;-2.37,1.6,;-1.46,.35,;,.83,;1.46,.35,;1.86,-1.14,;.77,-2.22,;3.35,-1.53,;-1.86,-1.14,;-.77,-2.22,;-1.17,-3.71,;-2.66,-4.11,;-3.06,-5.6,;-3.75,-3.02,;-3.35,-1.53,;-4.44,-.45,;-3.91,1.6,;-4.68,.26,;-6.22,.26,;-6.99,-1.07,;-6.99,1.6,;-6.22,2.93,;-4.68,2.93,;-3.91,4.26,)| Show InChI InChI=1S/C29H26Cl2FN3O2/c1-15(2)34-27-25(33-28(34)24-21(32)7-6-8-23(24)37-5)29(36)35(22-14-19(31)10-9-16(22)3)26(27)20-12-11-18(30)13-17(20)4/h6-15,26H,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Cy5-labeled p53 derived TFSDLWKLL peptide binding to C-terminal biotin-labelled human MDM2 (2 to 188 residues) by TR-FRET assay				Bioorg Med Chem Lett 28: 3404-3408 (2018) Article DOI: 10.1016/j.bmcl.2018.08.027 BindingDB Entry DOI: 10.7270/Q2C82D0H
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM129750 (US8815926, 29) Show SMILES COc1ccc(-c2nc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2C)c2cc(Cl)ccc2C)c(OC)n1 Show InChI InChI=1S/C29H28Cl2N4O3/c1-15(2)34-26-24(33-27(34)21-11-12-23(37-5)32-28(21)38-6)29(36)35(22-14-19(31)8-7-16(22)3)25(26)20-10-9-18(30)13-17(20)4/h7-15,25H,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Cy5-labeled p53 derived TFSDLWKLL peptide binding to C-terminal biotin-labelled human MDM2 (2 to 188 residues) by TR-FRET assay				Bioorg Med Chem Lett 28: 3404-3408 (2018) Article DOI: 10.1016/j.bmcl.2018.08.027 BindingDB Entry DOI: 10.7270/Q2C82D0H
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM129751 (US8815926, 30) Show SMILES COc1ncncc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C Show InChI InChI=1S/C27H25Cl2N5O2/c1-14(2)33-24-22(32-25(33)20-12-30-13-31-26(20)36-5)27(35)34(21-11-18(29)7-6-15(21)3)23(24)19-9-8-17(28)10-16(19)4/h6-14,23H,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Cy5-labeled p53 derived TFSDLWKLL peptide binding to C-terminal biotin-labelled human MDM2 (2 to 188 residues) by TR-FRET assay				Bioorg Med Chem Lett 28: 3404-3408 (2018) Article DOI: 10.1016/j.bmcl.2018.08.027 BindingDB Entry DOI: 10.7270/Q2C82D0H
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50467283 (CHEMBL4293896) Show SMILES COc1ccncc1-c1nc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C |r| Show InChI InChI=1S/C28H26Cl2N4O2/c1-15(2)33-26-24(32-27(33)21-14-31-11-10-23(21)36-5)28(35)34(22-13-19(30)7-6-16(22)3)25(26)20-9-8-18(29)12-17(20)4/h6-15,25H,1-5H3/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Cy5-labeled p53 derived TFSDLWKLL peptide binding to C-terminal biotin-labelled human MDM2 (2 to 188 residues) by TR-FRET assay				Bioorg Med Chem Lett 28: 3404-3408 (2018) Article DOI: 10.1016/j.bmcl.2018.08.027 BindingDB Entry DOI: 10.7270/Q2C82D0H
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50229787 ((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...) Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Cy5-labeled p53 derived TFSDLWKLL peptide binding to C-terminal biotin-labelled human MDM2 (2 to 188 residues) by TR-FRET assay				Bioorg Med Chem Lett 28: 3404-3408 (2018) Article DOI: 10.1016/j.bmcl.2018.08.027 BindingDB Entry DOI: 10.7270/Q2C82D0H
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM129797 (US8815926, 76) Show SMILES COc1ncc(-c2nc3C(=O)N([C@@H](c3n2C(C)C)c2ccc(Cl)cc2C)c2cc(Cl)ccc2C)c(OC)n1 |r| Show InChI InChI=1S/C28H27Cl2N5O3/c1-14(2)34-24-22(32-25(34)20-13-31-28(38-6)33-26(20)37-5)27(36)35(21-12-18(30)8-7-15(21)3)23(24)19-10-9-17(29)11-16(19)4/h7-14,23H,1-6H3/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Cy5-labeled p53 derived TFSDLWKLL peptide binding to C-terminal biotin-labelled human MDM2 (2 to 188 residues) by TR-FRET assay				Bioorg Med Chem Lett 28: 3404-3408 (2018) Article DOI: 10.1016/j.bmcl.2018.08.027 BindingDB Entry DOI: 10.7270/Q2C82D0H
					More data for this Ligand-Target Pair