Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Heat shock-related 70 kDa protein 2' and Ligand = 'BDBM50531166'   

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
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50531166 (CHEMBL4545529) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)S(F)(=O)=O)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C24H22ClFN6O7S/c25-14-5-1-12(2-6-14)9-28-24-31-17-20(27)29-11-30-21(17)32(24)22-19(34)18(33)16(39-22)10-38-23(35)13-3-7-15(8-4-13)40(26,36)37/h1-8,11,16,18-19,22,33-34H,9-10H2,(H,28,31)(H2,27,29,30)/t16-,18-,19-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Covalent inhibition of HSP72-NBD (unknown origin) after 2 hrs nucleotide-derived FP probe displacement based by fluorescence polarization assay				J Med Chem 62: 11383-11398 (2019) Article DOI: 10.1021/acs.jmedchem.9b01709 BindingDB Entry DOI: 10.7270/Q22R3W5Z
					More data for this Ligand-Target Pair
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50531166 (CHEMBL4545529) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)S(F)(=O)=O)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C24H22ClFN6O7S/c25-14-5-1-12(2-6-14)9-28-24-31-17-20(27)29-11-30-21(17)32(24)22-19(34)18(33)16(39-22)10-38-23(35)13-3-7-15(8-4-13)40(26,36)37/h1-8,11,16,18-19,22,33-34H,9-10H2,(H,28,31)(H2,27,29,30)/t16-,18-,19-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Covalent inhibition of HSP72-NBD (unknown origin) after 2 hrs nucleotide-derived FP probe displacement based by fluorescence polarization assay				J Med Chem 62: 11383-11398 (2019) Article DOI: 10.1021/acs.jmedchem.9b01709 BindingDB Entry DOI: 10.7270/Q22R3W5Z
					More data for this Ligand-Target Pair
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50531166 (CHEMBL4545529) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)S(F)(=O)=O)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C24H22ClFN6O7S/c25-14-5-1-12(2-6-14)9-28-24-31-17-20(27)29-11-30-21(17)32(24)22-19(34)18(33)16(39-22)10-38-23(35)13-3-7-15(8-4-13)40(26,36)37/h1-8,11,16,18-19,22,33-34H,9-10H2,(H,28,31)(H2,27,29,30)/t16-,18-,19-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Covalent inhibition of HSP72-NBD (unknown origin) after 1 hr nucleotide-derived FP probe displacement based by fluorescence polarization assay				J Med Chem 62: 11383-11398 (2019) Article DOI: 10.1021/acs.jmedchem.9b01709 BindingDB Entry DOI: 10.7270/Q22R3W5Z
					More data for this Ligand-Target Pair
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50531166 (CHEMBL4545529) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)S(F)(=O)=O)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C24H22ClFN6O7S/c25-14-5-1-12(2-6-14)9-28-24-31-17-20(27)29-11-30-21(17)32(24)22-19(34)18(33)16(39-22)10-38-23(35)13-3-7-15(8-4-13)40(26,36)37/h1-8,11,16,18-19,22,33-34H,9-10H2,(H,28,31)(H2,27,29,30)/t16-,18-,19-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Covalent inhibition of HSP72-NBD (unknown origin) after 1 hr nucleotide-derived FP probe displacement based by fluorescence polarization assay				J Med Chem 62: 11383-11398 (2019) Article DOI: 10.1021/acs.jmedchem.9b01709 BindingDB Entry DOI: 10.7270/Q22R3W5Z
					More data for this Ligand-Target Pair
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50531166 (CHEMBL4545529) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)S(F)(=O)=O)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C24H22ClFN6O7S/c25-14-5-1-12(2-6-14)9-28-24-31-17-20(27)29-11-30-21(17)32(24)22-19(34)18(33)16(39-22)10-38-23(35)13-3-7-15(8-4-13)40(26,36)37/h1-8,11,16,18-19,22,33-34H,9-10H2,(H,28,31)(H2,27,29,30)/t16-,18-,19-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Covalent inhibition of HSP72-NBD (unknown origin) after 0.083 hrs nucleotide-derived FP probe displacement based by fluorescence polarization assay				J Med Chem 62: 11383-11398 (2019) Article DOI: 10.1021/acs.jmedchem.9b01709 BindingDB Entry DOI: 10.7270/Q22R3W5Z
					More data for this Ligand-Target Pair
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50531166 (CHEMBL4545529) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)S(F)(=O)=O)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C24H22ClFN6O7S/c25-14-5-1-12(2-6-14)9-28-24-31-17-20(27)29-11-30-21(17)32(24)22-19(34)18(33)16(39-22)10-38-23(35)13-3-7-15(8-4-13)40(26,36)37/h1-8,11,16,18-19,22,33-34H,9-10H2,(H,28,31)(H2,27,29,30)/t16-,18-,19-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Covalent inhibition of HSP72-NBD (unknown origin) after 0.083 hrs nucleotide-derived FP probe displacement based by fluorescence polarization assay				J Med Chem 62: 11383-11398 (2019) Article DOI: 10.1021/acs.jmedchem.9b01709 BindingDB Entry DOI: 10.7270/Q22R3W5Z
					More data for this Ligand-Target Pair
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50531166 (CHEMBL4545529) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)S(F)(=O)=O)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C24H22ClFN6O7S/c25-14-5-1-12(2-6-14)9-28-24-31-17-20(27)29-11-30-21(17)32(24)22-19(34)18(33)16(39-22)10-38-23(35)13-3-7-15(8-4-13)40(26,36)37/h1-8,11,16,18-19,22,33-34H,9-10H2,(H,28,31)(H2,27,29,30)/t16-,18-,19-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Covalent inhibition of HSP72-NBD (unknown origin) assessed as initial inhibition constant nucleotide-derived FP probe displacement based by fluoresce...				J Med Chem 62: 11383-11398 (2019) Article DOI: 10.1021/acs.jmedchem.9b01709 BindingDB Entry DOI: 10.7270/Q22R3W5Z
					More data for this Ligand-Target Pair
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50531166 (CHEMBL4545529) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)S(F)(=O)=O)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C24H22ClFN6O7S/c25-14-5-1-12(2-6-14)9-28-24-31-17-20(27)29-11-30-21(17)32(24)22-19(34)18(33)16(39-22)10-38-23(35)13-3-7-15(8-4-13)40(26,36)37/h1-8,11,16,18-19,22,33-34H,9-10H2,(H,28,31)(H2,27,29,30)/t16-,18-,19-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Covalent inhibition of HSP72-NBD (unknown origin) assessed as initial inhibition constant nucleotide-derived FP probe displacement based by fluoresce...				J Med Chem 62: 11383-11398 (2019) Article DOI: 10.1021/acs.jmedchem.9b01709 BindingDB Entry DOI: 10.7270/Q22R3W5Z
					More data for this Ligand-Target Pair