Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'tomala' and Initial = 'md'   

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
Ubiquitin carboxyl-terminal hydrolase 2 (Homo sapiens (Human))	BDBM50458422 (CHEMBL4216958) Show SMILES NC(=O)c1c(NC(=O)COCc2cc(on2)-c2cccs2)sc2CCCCc12 Show InChI InChI=1S/C19H19N3O4S2/c20-18(24)17-12-4-1-2-5-14(12)28-19(17)21-16(23)10-25-9-11-8-13(26-22-11)15-6-3-7-27-15/h3,6-8H,1-2,4-5,9-10H2,(H2,20,24)(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Inhibition of human USP2a (258 to 605 residues) expressed in Escherichia coli BL21(DE3) using Ub-AMC as substrate incubated for 30 mins measured at 3...				Eur J Med Chem 150: 261-267 (2018) Article DOI: 10.1016/j.ejmech.2018.03.009 BindingDB Entry DOI: 10.7270/Q28G8P98
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2 (Homo sapiens (Human))	BDBM50458415 (CHEMBL567508 | EN300-02284) Show SMILES NC(=O)c1c(N)sc2CCCCc12 Show InChI InChI=1S/C9H12N2OS/c10-8(12)7-5-3-1-2-4-6(5)13-9(7)11/h1-4,11H2,(H2,10,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Inhibition of human USP2a (258 to 605 residues) expressed in Escherichia coli BL21(DE3) using Ub-AMC as substrate incubated for 30 mins measured at 3...				Eur J Med Chem 150: 261-267 (2018) Article DOI: 10.1016/j.ejmech.2018.03.009 BindingDB Entry DOI: 10.7270/Q28G8P98
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2 (Homo sapiens (Human))	BDBM50458419 (CHEMBL4203286) Show SMILES CC(Oc1ccc(cc1)C#N)C(=O)OCc1cc(on1)-c1cccs1 Show InChI InChI=1S/C18H14N2O4S/c1-12(23-15-6-4-13(10-19)5-7-15)18(21)22-11-14-9-16(24-20-14)17-3-2-8-25-17/h2-9,12H,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Inhibition of human USP2a (258 to 605 residues) expressed in Escherichia coli BL21(DE3) using Ub-AMC as substrate incubated for 30 mins measured at 3...				Eur J Med Chem 150: 261-267 (2018) Article DOI: 10.1016/j.ejmech.2018.03.009 BindingDB Entry DOI: 10.7270/Q28G8P98
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2 (Homo sapiens (Human))	BDBM50458417 (CHEMBL4203489) Show SMILES CCCn1nc(C(=O)OCc2cc(on2)-c2cccs2)c2ccccc2c1=O Show InChI InChI=1S/C20H17N3O4S/c1-2-9-23-19(24)15-7-4-3-6-14(15)18(21-23)20(25)26-12-13-11-16(27-22-13)17-8-5-10-28-17/h3-8,10-11H,2,9,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Inhibition of human USP2a (258 to 605 residues) expressed in Escherichia coli BL21(DE3) using Ub-AMC as substrate incubated for 30 mins measured at 3...				Eur J Med Chem 150: 261-267 (2018) Article DOI: 10.1016/j.ejmech.2018.03.009 BindingDB Entry DOI: 10.7270/Q28G8P98
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2 (Homo sapiens (Human))	BDBM50458416 (CHEMBL1230155) Show SMILES OCc1cc(on1)-c1cccs1 Show InChI InChI=1S/C8H7NO2S/c10-5-6-4-7(11-9-6)8-2-1-3-12-8/h1-4,10H,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Inhibition of human USP2a (258 to 605 residues) expressed in Escherichia coli BL21(DE3) using Ub-AMC as substrate incubated for 30 mins measured at 3...				Eur J Med Chem 150: 261-267 (2018) Article DOI: 10.1016/j.ejmech.2018.03.009 BindingDB Entry DOI: 10.7270/Q28G8P98
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2 (Homo sapiens (Human))	BDBM50458421 (CHEMBL1650269) Show SMILES Nc1cc(n[nH]1)-c1ccccc1 Show InChI InChI=1S/C9H9N3/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Inhibition of human USP2a (258 to 605 residues) expressed in Escherichia coli BL21(DE3) using Ub-AMC as substrate incubated for 30 mins measured at 3...				Eur J Med Chem 150: 261-267 (2018) Article DOI: 10.1016/j.ejmech.2018.03.009 BindingDB Entry DOI: 10.7270/Q28G8P98
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2 (Homo sapiens (Human))	BDBM50458420 (CHEMBL4207620) Show SMILES Cc1cc(cc(C)c1O)C#N Show InChI InChI=1S/C9H9NO/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,11H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Inhibition of human USP2a (258 to 605 residues) expressed in Escherichia coli BL21(DE3) using Ub-AMC as substrate incubated for 30 mins measured at 3...				Eur J Med Chem 150: 261-267 (2018) Article DOI: 10.1016/j.ejmech.2018.03.009 BindingDB Entry DOI: 10.7270/Q28G8P98
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2 (Homo sapiens (Human))	BDBM50458418 (CHEMBL4207578) Show SMILES Cl.NCc1ccc(cc1)-c1csnn1 Show InChI InChI=1S/C9H9N3S/c10-5-7-1-3-8(4-2-7)9-6-13-12-11-9/h1-4,6H,5,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Inhibition of human USP2a (258 to 605 residues) expressed in Escherichia coli BL21(DE3) using Ub-AMC as substrate incubated for 30 mins measured at 3...				Eur J Med Chem 150: 261-267 (2018) Article DOI: 10.1016/j.ejmech.2018.03.009 BindingDB Entry DOI: 10.7270/Q28G8P98
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118] (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	8.60E+4	n/a	n/a	n/a	7.4	15
Jagiellonian University					Assay Description Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...				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] (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	1.80E+4	n/a	n/a	n/a	7.4	15
Jagiellonian University					Assay Description Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...				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] (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	6.00E+4	n/a	n/a	n/a	7.4	15
Jagiellonian University					Assay Description Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...				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] (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	6.80E+4	n/a	n/a	n/a	7.4	15
Jagiellonian University					Assay Description Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...				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))	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))	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
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))	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
Ubiquitin carboxyl-terminal hydrolase 2 (Homo sapiens (Human))	BDBM50458416 (CHEMBL1230155) Show SMILES OCc1cc(on1)-c1cccs1 Show InChI InChI=1S/C8H7NO2S/c10-5-6-4-7(11-9-6)8-2-1-3-12-8/h1-4,10H,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	9.00E+5	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Binding affinity to 15N-Gly/Cys/Ser/Trp-labeled human USP2a expressed in Escherichia coli BL21(DE3) assessed as change in chemical shift by NMR metho...				Eur J Med Chem 150: 261-267 (2018) Article DOI: 10.1016/j.ejmech.2018.03.009 BindingDB Entry DOI: 10.7270/Q28G8P98
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [1-118] (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	<1.00E+3	n/a	n/a	n/a	7.4	15
Jagiellonian University					Assay Description Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...				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] (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	4.00E+4	n/a	n/a	n/a	7.4	15
Jagiellonian University					Assay Description Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...				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] (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	1.64E+5	n/a	n/a	n/a	7.4	15
Jagiellonian University					Assay Description Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...				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] (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	2.46E+5	n/a	n/a	n/a	7.4	15
Jagiellonian University					Assay Description Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...				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] (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	3.65E+5	n/a	n/a	n/a	7.4	15
Jagiellonian University					Assay Description Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...				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] (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	1.92E+5	n/a	n/a	n/a	7.4	15
Jagiellonian University					Assay Description Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...				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] (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	5.10E+4	n/a	n/a	n/a	7.4	15
Jagiellonian University					Assay Description Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...				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] (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	<1.00E+3	n/a	n/a	n/a	7.4	15
Jagiellonian University					Assay Description Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...				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] (Homo sapiens (Human))	BDBM207977 (N-methyl-4,5-di(4-chlorobenzyl)-3-(6-chloro-1H-ind...) Show SMILES CN1C(=O)C(=C(Cc2ccc(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	5.60E+4	n/a	n/a	n/a	7.4	15
Jagiellonian University					Assay Description Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...				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