Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2 [1-118,T47W]'   

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 [1-118,T47W] (Homo sapiens (Human))	BDBM207976 (N-Methyl-3,5-di(4-chlorobenzyl)-4-(6-chloro-1H-ind...) Show SMILES CN1C(=O)C(Cc2ccc(Cl)cc2)=C(c2c[nH]c3cc(Cl)ccc23)C1(O)Cc1ccc(Cl)cc1 |t:13| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	7.4	25
Jagiellonian University					Assay Description MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...				ACS Chem Biol 11: 3310-3318 (2016) Article DOI: 10.1021/acschembio.6b00596 BindingDB Entry DOI: 10.7270/Q2K35SH2
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W] (Homo sapiens (Human))	BDBM207978 (N-Methyl-5-(4-chlorobenzyl)-4-(6-chloro-1H-indol-3...) Show SMILES CN1C(=O)C(=C(c2c[nH]c3cc(Cl)ccc23)C1(O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 |t:4| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.87E+4	n/a	n/a	n/a	7.4	25
Jagiellonian University					Assay Description MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...				ACS Chem Biol 11: 3310-3318 (2016) Article DOI: 10.1021/acschembio.6b00596 BindingDB Entry DOI: 10.7270/Q2K35SH2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W] (Homo sapiens (Human))	BDBM207979 (N-methyl-5-(4-chlorobenzyl)-3-(6-chloro-1H-indol-3...) Show SMILES CN1C(=O)C(=C(c2ccc(Cl)cc2)C1(O)Cc1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12 |t:4| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.77E+4	n/a	n/a	n/a	7.4	25
Jagiellonian University					Assay Description MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...				ACS Chem Biol 11: 3310-3318 (2016) Article DOI: 10.1021/acschembio.6b00596 BindingDB Entry DOI: 10.7270/Q2K35SH2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W] (Homo sapiens (Human))	BDBM207980 (N-Methyl-5-(4-chlorobenzyl)-4-(6-chloro-1-methyl-1...) Show SMILES CN1C(=O)C(=C(c2cn(C)c3cc(Cl)ccc23)C1(O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C27H21Cl3N2O2/c1-31-15-22(21-12-11-20(30)13-23(21)31)25-24(17-5-9-19(29)10-6-17)26(33)32(2)27(25,34)14-16-3-7-18(28)8-4-16/h3-13,15,34H,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.05E+4	n/a	n/a	n/a	7.4	25
Jagiellonian University					Assay Description MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...				ACS Chem Biol 11: 3310-3318 (2016) Article DOI: 10.1021/acschembio.6b00596 BindingDB Entry DOI: 10.7270/Q2K35SH2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W] (Homo sapiens (Human))	BDBM207981 (N-methyl-5-(4-chlorobenzyl)-3-(6-chloro-1-methyl-1...) Show SMILES CN1C(=O)C(=C(c2ccc(Cl)cc2)C1(O)Cc1ccc(Cl)cc1)c1cn(C)c2cc(Cl)ccc12 |t:4| Show InChI InChI=1S/C27H21Cl3N2O2/c1-31-15-22(21-12-11-20(30)13-23(21)31)24-25(17-5-9-19(29)10-6-17)27(34,32(2)26(24)33)14-16-3-7-18(28)8-4-16/h3-13,15,34H,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.04E+4	n/a	n/a	n/a	7.4	25
Jagiellonian University					Assay Description MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...				ACS Chem Biol 11: 3310-3318 (2016) Article DOI: 10.1021/acschembio.6b00596 BindingDB Entry DOI: 10.7270/Q2K35SH2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W] (Homo sapiens (Human))	BDBM207982 (N-(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)- 3-(...) Show SMILES OC1N(Cc2ccc(Cl)cc2)C(=O)C(=C1c1c[nH]c2cc(Cl)ccc12)c1ccc(Cl)cc1 |c:14| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.44E+4	n/a	n/a	n/a	7.4	25
Jagiellonian University					Assay Description MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...				ACS Chem Biol 11: 3310-3318 (2016) Article DOI: 10.1021/acschembio.6b00596 BindingDB Entry DOI: 10.7270/Q2K35SH2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W] (Homo sapiens (Human))	BDBM207988 (5-(4-Chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-3-(4...) Show SMILES OC1(Cc2ccc(Cl)cc2)OC(=O)C(=C1c1c[nH]c2cc(Cl)ccc12)c1ccc(Cl)cc1 |c:14| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	7.4	25
Jagiellonian University					Assay Description MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...				ACS Chem Biol 11: 3310-3318 (2016) Article DOI: 10.1021/acschembio.6b00596 BindingDB Entry DOI: 10.7270/Q2K35SH2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W] (Homo sapiens (Human))	BDBM207984 (3,5-Di(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-...) Show SMILES OC1(Cc2ccc(Cl)cc2)OC(=O)C(Cc2ccc(Cl)cc2)=C1c1c[nH]c2cc(Cl)ccc12 |c:23| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	7.4	25
Jagiellonian University					Assay Description MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...				ACS Chem Biol 11: 3310-3318 (2016) Article DOI: 10.1021/acschembio.6b00596 BindingDB Entry DOI: 10.7270/Q2K35SH2
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W] (Homo sapiens (Human))	BDBM207985 (4,5-di(4-chlorobenzyl)-3-(6-chloro-1H-indol-3-yl)-...) Show SMILES OC1(Cc2ccc(Cl)cc2)OC(=O)C(=C1Cc1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12 |c:14| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	7.4	25
Jagiellonian University					Assay Description MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...				ACS Chem Biol 11: 3310-3318 (2016) Article DOI: 10.1021/acschembio.6b00596 BindingDB Entry DOI: 10.7270/Q2K35SH2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W] (Homo sapiens (Human))	BDBM207987 (4-(4-chlorobenzyl)-3-(6-chloro-1H-indol-3-yl)-5-(4...) Show SMILES OC1(Cc2ccc(F)cc2)OC(=O)C(=C1Cc1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12 |c:14| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.60E+4	n/a	n/a	n/a	7.4	25
Jagiellonian University					Assay Description MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...				ACS Chem Biol 11: 3310-3318 (2016) Article DOI: 10.1021/acschembio.6b00596 BindingDB Entry DOI: 10.7270/Q2K35SH2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W] (Homo sapiens (Human))	BDBM207989 (5-(4-chlorobenzyl)-3-(6-chloro-1H-indol-3-yl)-4-(4...) Show SMILES OC1(Cc2ccc(Cl)cc2)OC(=O)C(=C1c1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12 |c:14| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	7.4	25
Jagiellonian University					Assay Description MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...				ACS Chem Biol 11: 3310-3318 (2016) Article DOI: 10.1021/acschembio.6b00596 BindingDB Entry DOI: 10.7270/Q2K35SH2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W] (Homo sapiens (Human))	BDBM207986 (3-(4-Chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-(4...) Show SMILES OC1(Cc2ccc(F)cc2)OC(=O)C(Cc2ccc(Cl)cc2)=C1c1c[nH]c2cc(Cl)ccc12 |c:23| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.87E+4	n/a	n/a	n/a	7.4	25
Jagiellonian University					Assay Description MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...				ACS Chem Biol 11: 3310-3318 (2016) Article DOI: 10.1021/acschembio.6b00596 BindingDB Entry DOI: 10.7270/Q2K35SH2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118,T47W] (Homo sapiens (Human))	BDBM207983 (N-(4-Chlorobenzyl)-3-(6-chloro-1H-indol-3-yl)-4-(4...) Show SMILES OC1N(Cc2ccc(Cl)cc2)C(=O)C(=C1c1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc12 |c:14| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	7.4	25
Jagiellonian University					Assay Description MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...				ACS Chem Biol 11: 3310-3318 (2016) Article DOI: 10.1021/acschembio.6b00596 BindingDB Entry DOI: 10.7270/Q2K35SH2
					More data for this Ligand-Target Pair