Compile Data Set for Download or QSAR

Found 4 hits of ic50 for UniProtKB: P54652   

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
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50518213 (CHEMBL4473449) Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(O)=O |r| Show InChI InChI=1S/C38H65N13O11/c1-21(31(55)47-22(2)37(61)62)46-33(57)26(9-4-6-16-40)49-34(58)27(10-7-17-44-38(42)43)50-36(60)29(20-52)51-35(59)28(18-23-11-13-24(53)14-12-23)48-30(54)19-45-32(56)25(41)8-3-5-15-39/h11-14,21-22,25-29,52-53H,3-10,15-20,39-41H2,1-2H3,(H,45,56)(H,46,57)(H,47,55)(H,48,54)(H,49,58)(H,50,60)(H,51,59)(H,61,62)(H4,42,43,44)/t21-,22-,25-,26-,27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of New South Wales Curated by ChEMBL					Assay Description Inhibition of (2S,8S,11S,14S)-2-(4-aminobutyl)-14-(3-guanidinopropyl)-8-(4-hydroxybenzyl)-11-(hydroxymethyl)-4,7,10,13,16,32-hexaoxo-36-((3aS,4S,6aR)...				J Med Chem 62: 742-761 (2019) Article DOI: 10.1021/acs.jmedchem.8b01436 BindingDB Entry DOI: 10.7270/Q2W95DJT
					More data for this Ligand-Target Pair
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50518215 (CHEMBL4449629) Show SMILES C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(O)=O |r| Show InChI InChI=1S/C35H60N12O10/c1-20(34(56)57)43-30(52)24(8-3-5-15-37)45-31(53)25(9-6-16-41-35(39)40)46-33(55)27(19-48)47-32(54)26(17-21-10-12-22(49)13-11-21)44-28(50)18-42-29(51)23(38)7-2-4-14-36/h10-13,20,23-27,48-49H,2-9,14-19,36-38H2,1H3,(H,42,51)(H,43,52)(H,44,50)(H,45,53)(H,46,55)(H,47,54)(H,56,57)(H4,39,40,41)/t20-,23-,24-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of New South Wales Curated by ChEMBL					Assay Description Inhibition of (2S,8S,11S,14S)-2-(4-aminobutyl)-14-(3-guanidinopropyl)-8-(4-hydroxybenzyl)-11-(hydroxymethyl)-4,7,10,13,16,32-hexaoxo-36-((3aS,4S,6aR)...				J Med Chem 62: 742-761 (2019) Article DOI: 10.1021/acs.jmedchem.8b01436 BindingDB Entry DOI: 10.7270/Q2W95DJT
					More data for this Ligand-Target Pair
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50518214 (CHEMBL4448551) Show SMILES NCCCC[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C26H43N9O8/c27-10-2-1-4-17(28)22(39)32-13-21(38)33-19(12-15-6-8-16(37)9-7-15)23(40)35-20(14-36)24(41)34-18(25(42)43)5-3-11-31-26(29)30/h6-9,17-20,36-37H,1-5,10-14,27-28H2,(H,32,39)(H,33,38)(H,34,41)(H,35,40)(H,42,43)(H4,29,30,31)/t17-,18-,19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of New South Wales Curated by ChEMBL					Assay Description Inhibition of (2S,8S,11S,14S)-2-(4-aminobutyl)-14-(3-guanidinopropyl)-8-(4-hydroxybenzyl)-11-(hydroxymethyl)-4,7,10,13,16,32-hexaoxo-36-((3aS,4S,6aR)...				J Med Chem 62: 742-761 (2019) Article DOI: 10.1021/acs.jmedchem.8b01436 BindingDB Entry DOI: 10.7270/Q2W95DJT
					More data for this Ligand-Target Pair
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50518216 (CHEMBL4449072) Show SMILES NCCCC[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C32H55N11O9/c33-13-3-1-6-21(35)27(47)39-17-26(46)40-24(16-19-9-11-20(45)12-10-19)29(49)43-25(18-44)30(50)41-22(8-5-15-38-32(36)37)28(48)42-23(31(51)52)7-2-4-14-34/h9-12,21-25,44-45H,1-8,13-18,33-35H2,(H,39,47)(H,40,46)(H,41,50)(H,42,48)(H,43,49)(H,51,52)(H4,36,37,38)/t21-,22-,23-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.48E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of New South Wales Curated by ChEMBL					Assay Description Inhibition of (2S,8S,11S,14S)-2-(4-aminobutyl)-14-(3-guanidinopropyl)-8-(4-hydroxybenzyl)-11-(hydroxymethyl)-4,7,10,13,16,32-hexaoxo-36-((3aS,4S,6aR)...				J Med Chem 62: 742-761 (2019) Article DOI: 10.1021/acs.jmedchem.8b01436 BindingDB Entry DOI: 10.7270/Q2W95DJT
					More data for this Ligand-Target Pair