Compile Data Set for Download or QSAR

Found 20 hits of kd for UniProtKB: P38646   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539108 (CHEMBL4649247) Show SMILES CN1c2ccc(NC(=O)Nc3ccc(cc3)[N+]([O-])=O)cc2C(C)(C)C(=O)C1(C)C Show InChI InChI=1S/C21H24N4O4/c1-20(2)16-12-14(8-11-17(16)24(5)21(3,4)18(20)26)23-19(27)22-13-6-9-15(10-7-13)25(28)29/h6-12H,1-5H3,(H2,22,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
					More data for this Ligand-Target Pair
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539121 (CHEMBL4646130) Show SMILES CN1c2ccc(NC(=S)Nc3ccc(cc3)[N+]([O-])=O)cc2C(C)(C)CC1(C)C Show InChI InChI=1S/C21H26N4O2S/c1-20(2)13-21(3,4)24(5)18-11-8-15(12-17(18)20)23-19(28)22-14-6-9-16(10-7-14)25(26)27/h6-12H,13H2,1-5H3,(H2,22,23,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
					More data for this Ligand-Target Pair
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539102 (CHEMBL7075) Show SMILES CC1(C)CC(C)(C)c2cc(N\C(S)=N\c3ccc(cc3)[N+]([O-])=O)ccc2S1 Show InChI InChI=1S/C20H23N3O2S2/c1-19(2)12-20(3,4)27-17-10-7-14(11-16(17)19)22-18(26)21-13-5-8-15(9-6-13)23(24)25/h5-11H,12H2,1-4H3,(H2,21,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
					More data for this Ligand-Target Pair
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539117 (CHEMBL4648396) Show SMILES CN1c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2C(C)(C)C(O)C1(C)C Show InChI InChI=1S/C22H26F3N3O2/c1-20(2)16-12-15(10-11-17(16)28(5)21(3,4)18(20)29)27-19(30)26-14-8-6-13(7-9-14)22(23,24)25/h6-12,18,29H,1-5H3,(H2,26,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
					More data for this Ligand-Target Pair
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539107 (CHEMBL4639280) Show SMILES [I-].CC1(C)CC[N+](C)(C)c2ccc(NC(=O)Nc3ccc(cc3)[N+]([O-])=O)cc12 Show InChI InChI=1S/C20H24N4O3/c1-20(2)11-12-24(3,4)18-10-7-15(13-17(18)20)22-19(25)21-14-5-8-16(9-6-14)23(26)27/h5-10,13H,11-12H2,1-4H3,(H-,21,22,25)/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
					More data for this Ligand-Target Pair
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539114 (CHEMBL4634892) Show SMILES CN1c2ccc(NC(=O)Nc3ccc(N)cc3)cc2C(C)(C)C(=O)C1(C)C Show InChI InChI=1S/C21H26N4O2/c1-20(2)16-12-15(10-11-17(16)25(5)21(3,4)18(20)26)24-19(27)23-14-8-6-13(22)7-9-14/h6-12H,22H2,1-5H3,(H2,23,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
					More data for this Ligand-Target Pair
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539109 (CHEMBL4634383) Show SMILES CN1c2ccc(NC(=S)Nc3ccc(cc3)[N+]([O-])=O)cc2C(C)(C)C(=O)C1(C)C Show InChI InChI=1S/C21H24N4O3S/c1-20(2)16-12-14(8-11-17(16)24(5)21(3,4)18(20)26)23-19(29)22-13-6-9-15(10-7-13)25(27)28/h6-12H,1-5H3,(H2,22,23,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
					More data for this Ligand-Target Pair
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539103 (CHEMBL4636754) Show SMILES CC1(C)CCNc2ccc(NC(=O)Nc3ccc(cc3)[N+]([O-])=O)cc12 Show InChI InChI=1S/C18H20N4O3/c1-18(2)9-10-19-16-8-5-13(11-15(16)18)21-17(23)20-12-3-6-14(7-4-12)22(24)25/h3-8,11,19H,9-10H2,1-2H3,(H2,20,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
					More data for this Ligand-Target Pair
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539119 (CHEMBL4635630) Show SMILES CN1c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2C(C)(C)C(O)C1(C)C Show InChI InChI=1S/C22H26F3N3O3/c1-20(2)16-12-14(8-11-17(16)28(5)21(3,4)18(20)29)27-19(30)26-13-6-9-15(10-7-13)31-22(23,24)25/h6-12,18,29H,1-5H3,(H2,26,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
					More data for this Ligand-Target Pair
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539110 (CHEMBL4634635) Show SMILES CN1c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2C(C)(C)C(=O)C1(C)C Show InChI InChI=1S/C22H24F3N3O2/c1-20(2)16-12-15(10-11-17(16)28(5)21(3,4)18(20)29)27-19(30)26-14-8-6-13(7-9-14)22(23,24)25/h6-12H,1-5H3,(H2,26,27,30)	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	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
					More data for this Ligand-Target Pair
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539104 (CHEMBL4641260) Show SMILES CC1(C)CCNc2ccc(NC(=S)Nc3ccc(cc3)[N+]([O-])=O)cc12 Show InChI InChI=1S/C18H20N4O2S/c1-18(2)9-10-19-16-8-5-13(11-15(16)18)21-17(25)20-12-3-6-14(7-4-12)22(23)24/h3-8,11,19H,9-10H2,1-2H3,(H2,20,21,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
					More data for this Ligand-Target Pair
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539111 (CHEMBL4646109) Show SMILES CN1c2ccc(NC(=S)Nc3ccc(cc3)C(F)(F)F)cc2C(C)(C)C(=O)C1(C)C Show InChI InChI=1S/C22H24F3N3OS/c1-20(2)16-12-15(10-11-17(16)28(5)21(3,4)18(20)29)27-19(30)26-14-8-6-13(7-9-14)22(23,24)25/h6-12H,1-5H3,(H2,26,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
					More data for this Ligand-Target Pair
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539115 (CHEMBL4635080) Show SMILES CN1c2ccc(NC(=O)Nc3ccc(cc3)[N+]([O-])=O)cc2C(C)(C)C(O)C1(C)C Show InChI InChI=1S/C21H26N4O4/c1-20(2)16-12-14(8-11-17(16)24(5)21(3,4)18(20)26)23-19(27)22-13-6-9-15(10-7-13)25(28)29/h6-12,18,26H,1-5H3,(H2,22,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
					More data for this Ligand-Target Pair
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539112 (CHEMBL4647600) Show SMILES CN1c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2C(C)(C)C(=O)C1(C)C Show InChI InChI=1S/C22H24F3N3O3/c1-20(2)16-12-14(8-11-17(16)28(5)21(3,4)18(20)29)27-19(30)26-13-6-9-15(10-7-13)31-22(23,24)25/h6-12H,1-5H3,(H2,26,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
					More data for this Ligand-Target Pair
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539116 (CHEMBL4648147) Show SMILES CN1c2ccc(NC(=S)Nc3ccc(cc3)[N+]([O-])=O)cc2C(C)(C)C(O)C1(C)C Show InChI InChI=1S/C21H26N4O3S/c1-20(2)16-12-14(8-11-17(16)24(5)21(3,4)18(20)26)23-19(29)22-13-6-9-15(10-7-13)25(27)28/h6-12,18,26H,1-5H3,(H2,22,23,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
					More data for this Ligand-Target Pair
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539118 (CHEMBL4643228) Show SMILES CN1c2ccc(NC(=S)Nc3ccc(cc3)C(F)(F)F)cc2C(C)(C)C(O)C1(C)C Show InChI InChI=1S/C22H26F3N3OS/c1-20(2)16-12-15(10-11-17(16)28(5)21(3,4)18(20)29)27-19(30)26-14-8-6-13(7-9-14)22(23,24)25/h6-12,18,29H,1-5H3,(H2,26,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
					More data for this Ligand-Target Pair
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539113 (CHEMBL4649123) Show SMILES CN1c2ccc(NC(=S)Nc3ccc(OC(F)(F)F)cc3)cc2C(C)(C)C(=O)C1(C)C Show InChI InChI=1S/C22H24F3N3O2S/c1-20(2)16-12-14(8-11-17(16)28(5)21(3,4)18(20)29)27-19(31)26-13-6-9-15(10-7-13)30-22(23,24)25/h6-12H,1-5H3,(H2,26,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
					More data for this Ligand-Target Pair
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539120 (CHEMBL4642813) Show SMILES CN1c2ccc(NC(=S)Nc3ccc(OC(F)(F)F)cc3)cc2C(C)(C)C(O)C1(C)C Show InChI InChI=1S/C22H26F3N3O2S/c1-20(2)16-12-14(8-11-17(16)28(5)21(3,4)18(20)29)27-19(31)26-13-6-9-15(10-7-13)30-22(23,24)25/h6-12,18,29H,1-5H3,(H2,26,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
					More data for this Ligand-Target Pair
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539105 (CHEMBL4636437) Show SMILES CC1(C)CCNc2ccc(NC(=S)Nc3ccc(cc3)C(F)(F)F)cc12 Show InChI InChI=1S/C19H20F3N3S/c1-18(2)9-10-23-16-8-7-14(11-15(16)18)25-17(26)24-13-5-3-12(4-6-13)19(20,21)22/h3-8,11,23H,9-10H2,1-2H3,(H2,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
					More data for this Ligand-Target Pair
Stress-70 protein, mitochondrial (Homo sapiens)	BDBM50539106 (CHEMBL4643799) Show SMILES CC1(C)CCNc2ccc(NC(=S)Nc3ccc(OC(F)(F)F)cc3)cc12 Show InChI InChI=1S/C19H20F3N3OS/c1-18(2)9-10-23-16-8-5-13(11-15(16)18)25-17(27)24-12-3-6-14(7-4-12)26-19(20,21)22/h3-8,11,23H,9-10H2,1-2H3,(H2,24,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to mortalin substrate binding domain (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115244 BindingDB Entry DOI: 10.7270/Q2WD443B
					More data for this Ligand-Target Pair