Compile Data Set for Download or QSAR

Found 54 hits of ki 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)	BDBM50531168 (CHEMBL4525506) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C25H24ClN7O4/c26-17-7-5-15(6-8-17)10-29-25-32-19-22(28)30-13-31-23(19)33(25)24-21(35)20(34)18(37-24)12-36-11-16-3-1-14(9-27)2-4-16/h1-8,13,18,20-21,24,34-35H,10-12H2,(H,29,32)(H2,28,30,31)/t18-,20-,21-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<200	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) 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)	BDBM50531165 (CHEMBL4519613) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)S(F)(=O)=O)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12 |r| Show InChI InChI=1S/C27H24FN7O7S/c28-43(39,40)17-6-4-15(5-7-17)26(38)41-12-19-21(36)22(37)25(42-19)35-24-20(23(29)32-13-33-24)34-27(35)31-11-14-3-8-18-16(10-14)2-1-9-30-18/h1-10,13,19,21-22,25,36-37H,11-12H2,(H,31,34)(H2,29,32,33)/t19-,21-,22-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<200	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)	BDBM32378 (adenosine-derived inhibitor (Grp78), 13 | adenosin...) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 |r| Show InChI InChI=1S/C25H23Cl2N7O4/c26-16-6-5-15(7-17(16)27)9-30-25-33-19-22(29)31-12-32-23(19)34(25)24-21(36)20(35)18(38-24)11-37-10-14-3-1-13(8-28)2-4-14/h1-7,12,18,20-21,24,35-36H,9-11H2,(H,30,33)(H2,29,31,32)/t18-,20-,21-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	>200	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) 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				3D Structure (crystal)
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50531168 (CHEMBL4525506) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C25H24ClN7O4/c26-17-7-5-15(6-8-17)10-29-25-32-19-22(28)30-13-31-23(19)33(25)24-21(35)20(34)18(37-24)12-36-11-16-3-1-14(9-27)2-4-16/h1-8,13,18,20-21,24,34-35H,10-12H2,(H,29,32)(H2,28,30,31)/t18-,20-,21-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<200	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) 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)	BDBM32378 (adenosine-derived inhibitor (Grp78), 13 | adenosin...) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 |r| Show InChI InChI=1S/C25H23Cl2N7O4/c26-16-6-5-15(7-17(16)27)9-30-25-33-19-22(29)31-12-32-23(19)34(25)24-21(36)20(35)18(38-24)11-37-10-14-3-1-13(8-28)2-4-14/h1-7,12,18,20-21,24,35-36H,9-11H2,(H,30,33)(H2,29,31,32)/t18-,20-,21-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	<200	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) 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				3D Structure (crystal)
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM32378 (adenosine-derived inhibitor (Grp78), 13 | adenosin...) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 |r| Show InChI InChI=1S/C25H23Cl2N7O4/c26-16-6-5-15(7-17(16)27)9-30-25-33-19-22(29)31-12-32-23(19)34(25)24-21(36)20(35)18(38-24)11-37-10-14-3-1-13(8-28)2-4-14/h1-7,12,18,20-21,24,35-36H,9-11H2,(H,30,33)(H2,29,31,32)/t18-,20-,21-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	<200	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) 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				3D Structure (crystal)
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM32378 (adenosine-derived inhibitor (Grp78), 13 | adenosin...) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 |r| Show InChI InChI=1S/C25H23Cl2N7O4/c26-16-6-5-15(7-17(16)27)9-30-25-33-19-22(29)31-12-32-23(19)34(25)24-21(36)20(35)18(38-24)11-37-10-14-3-1-13(8-28)2-4-14/h1-7,12,18,20-21,24,35-36H,9-11H2,(H,30,33)(H2,29,31,32)/t18-,20-,21-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	>200	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) 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				3D Structure (crystal)
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50531165 (CHEMBL4519613) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)S(F)(=O)=O)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12 |r| Show InChI InChI=1S/C27H24FN7O7S/c28-43(39,40)17-6-4-15(5-7-17)26(38)41-12-19-21(36)22(37)25(42-19)35-24-20(23(29)32-13-33-24)34-27(35)31-11-14-3-8-18-16(10-14)2-1-9-30-18/h1-10,13,19,21-22,25,36-37H,11-12H2,(H,31,34)(H2,29,32,33)/t19-,21-,22-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<200	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)	BDBM50531165 (CHEMBL4519613) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)S(F)(=O)=O)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12 |r| Show InChI InChI=1S/C27H24FN7O7S/c28-43(39,40)17-6-4-15(5-7-17)26(38)41-12-19-21(36)22(37)25(42-19)35-24-20(23(29)32-13-33-24)34-27(35)31-11-14-3-8-18-16(10-14)2-1-9-30-18/h1-10,13,19,21-22,25,36-37H,11-12H2,(H,31,34)(H2,29,32,33)/t19-,21-,22-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	220	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 0.33 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)	BDBM50531165 (CHEMBL4519613) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)S(F)(=O)=O)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12 |r| Show InChI InChI=1S/C27H24FN7O7S/c28-43(39,40)17-6-4-15(5-7-17)26(38)41-12-19-21(36)22(37)25(42-19)35-24-20(23(29)32-13-33-24)34-27(35)31-11-14-3-8-18-16(10-14)2-1-9-30-18/h1-10,13,19,21-22,25,36-37H,11-12H2,(H,31,34)(H2,29,32,33)/t19-,21-,22-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	220	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 0.33 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	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)	BDBM50531171 (CHEMBL4556409) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C(=O)Oc4ccc(F)cc4)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C31H28ClFN6O6/c32-20-7-3-17(4-8-20)13-35-31-38-24-27(34)36-16-37-28(24)39(31)29-26(41)25(40)23(45-29)15-43-14-18-1-5-19(6-2-18)30(42)44-22-11-9-21(33)10-12-22/h1-12,16,23,25-26,29,40-41H,13-15H2,(H,35,38)(H2,34,36,37)/t23-,25-,26-,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+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 24 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)	BDBM50531171 (CHEMBL4556409) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C(=O)Oc4ccc(F)cc4)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C31H28ClFN6O6/c32-20-7-3-17(4-8-20)13-35-31-38-24-27(34)36-16-37-28(24)39(31)29-26(41)25(40)23(45-29)15-43-14-18-1-5-19(6-2-18)30(42)44-22-11-9-21(33)10-12-22/h1-12,16,23,25-26,29,40-41H,13-15H2,(H,35,38)(H2,34,36,37)/t23-,25-,26-,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+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 24 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)	BDBM50531171 (CHEMBL4556409) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C(=O)Oc4ccc(F)cc4)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C31H28ClFN6O6/c32-20-7-3-17(4-8-20)13-35-31-38-24-27(34)36-16-37-28(24)39(31)29-26(41)25(40)23(45-29)15-43-14-18-1-5-19(6-2-18)30(42)44-22-11-9-21(33)10-12-22/h1-12,16,23,25-26,29,40-41H,13-15H2,(H,35,38)(H2,34,36,37)/t23-,25-,26-,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+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 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)	BDBM50531171 (CHEMBL4556409) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C(=O)Oc4ccc(F)cc4)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C31H28ClFN6O6/c32-20-7-3-17(4-8-20)13-35-31-38-24-27(34)36-16-37-28(24)39(31)29-26(41)25(40)23(45-29)15-43-14-18-1-5-19(6-2-18)30(42)44-22-11-9-21(33)10-12-22/h1-12,16,23,25-26,29,40-41H,13-15H2,(H,35,38)(H2,34,36,37)/t23-,25-,26-,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+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 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)	BDBM50531171 (CHEMBL4556409) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C(=O)Oc4ccc(F)cc4)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C31H28ClFN6O6/c32-20-7-3-17(4-8-20)13-35-31-38-24-27(34)36-16-37-28(24)39(31)29-26(41)25(40)23(45-29)15-43-14-18-1-5-19(6-2-18)30(42)44-22-11-9-21(33)10-12-22/h1-12,16,23,25-26,29,40-41H,13-15H2,(H,35,38)(H2,34,36,37)/t23-,25-,26-,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.50E+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)	BDBM50531171 (CHEMBL4556409) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C(=O)Oc4ccc(F)cc4)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C31H28ClFN6O6/c32-20-7-3-17(4-8-20)13-35-31-38-24-27(34)36-16-37-28(24)39(31)29-26(41)25(40)23(45-29)15-43-14-18-1-5-19(6-2-18)30(42)44-22-11-9-21(33)10-12-22/h1-12,16,23,25-26,29,40-41H,13-15H2,(H,35,38)(H2,34,36,37)/t23-,25-,26-,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.50E+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)	BDBM50531165 (CHEMBL4519613) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)S(F)(=O)=O)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12 |r| Show InChI InChI=1S/C27H24FN7O7S/c28-43(39,40)17-6-4-15(5-7-17)26(38)41-12-19-21(36)22(37)25(42-19)35-24-20(23(29)32-13-33-24)34-27(35)31-11-14-3-8-18-16(10-14)2-1-9-30-18/h1-10,13,19,21-22,25,36-37H,11-12H2,(H,31,34)(H2,29,32,33)/t19-,21-,22-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30E+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)	BDBM50531165 (CHEMBL4519613) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)S(F)(=O)=O)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12 |r| Show InChI InChI=1S/C27H24FN7O7S/c28-43(39,40)17-6-4-15(5-7-17)26(38)41-12-19-21(36)22(37)25(42-19)35-24-20(23(29)32-13-33-24)34-27(35)31-11-14-3-8-18-16(10-14)2-1-9-30-18/h1-10,13,19,21-22,25,36-37H,11-12H2,(H,31,34)(H2,29,32,33)/t19-,21-,22-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30E+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)	BDBM50531170 (CHEMBL4593659) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C25H22ClN7O5/c26-16-7-3-14(4-8-16)10-29-25-32-18-21(28)30-12-31-22(18)33(25)23-20(35)19(34)17(38-23)11-37-24(36)15-5-1-13(9-27)2-6-15/h1-8,12,17,19-20,23,34-35H,10-11H2,(H,29,32)(H2,28,30,31)/t17-,19-,20-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.50E+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) 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)	BDBM50531170 (CHEMBL4593659) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C25H22ClN7O5/c26-16-7-3-14(4-8-16)10-29-25-32-18-21(28)30-12-31-22(18)33(25)23-20(35)19(34)17(38-23)11-37-24(36)15-5-1-13(9-27)2-6-15/h1-8,12,17,19-20,23,34-35H,10-11H2,(H,29,32)(H2,28,30,31)/t17-,19-,20-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.50E+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) 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)	BDBM50531170 (CHEMBL4593659) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C25H22ClN7O5/c26-16-7-3-14(4-8-16)10-29-25-32-18-21(28)30-12-31-22(18)33(25)23-20(35)19(34)17(38-23)11-37-24(36)15-5-1-13(9-27)2-6-15/h1-8,12,17,19-20,23,34-35H,10-11H2,(H,29,32)(H2,28,30,31)/t17-,19-,20-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.55E+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) 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)	BDBM50531170 (CHEMBL4593659) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C25H22ClN7O5/c26-16-7-3-14(4-8-16)10-29-25-32-18-21(28)30-12-31-22(18)33(25)23-20(35)19(34)17(38-23)11-37-24(36)15-5-1-13(9-27)2-6-15/h1-8,12,17,19-20,23,34-35H,10-11H2,(H,29,32)(H2,28,30,31)/t17-,19-,20-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.55E+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) 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)	BDBM50531167 (CHEMBL4583945) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CCCOC(=O)C=C)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C22H25ClN6O5/c1-2-15(30)33-9-3-4-14-17(31)18(32)21(34-14)29-20-16(19(24)26-11-27-20)28-22(29)25-10-12-5-7-13(23)8-6-12/h2,5-8,11,14,17-18,21,31-32H,1,3-4,9-10H2,(H,25,28)(H2,24,26,27)/t14-,17-,18-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	3.70E+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 46 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				3D Structure (crystal)
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50531167 (CHEMBL4583945) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CCCOC(=O)C=C)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C22H25ClN6O5/c1-2-15(30)33-9-3-4-14-17(31)18(32)21(34-14)29-20-16(19(24)26-11-27-20)28-22(29)25-10-12-5-7-13(23)8-6-12/h2,5-8,11,14,17-18,21,31-32H,1,3-4,9-10H2,(H,25,28)(H2,24,26,27)/t14-,17-,18-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	3.70E+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 46 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				3D Structure (crystal)
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50531165 (CHEMBL4519613) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)S(F)(=O)=O)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12 |r| Show InChI InChI=1S/C27H24FN7O7S/c28-43(39,40)17-6-4-15(5-7-17)26(38)41-12-19-21(36)22(37)25(42-19)35-24-20(23(29)32-13-33-24)34-27(35)31-11-14-3-8-18-16(10-14)2-1-9-30-18/h1-10,13,19,21-22,25,36-37H,11-12H2,(H,31,34)(H2,29,32,33)/t19-,21-,22-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70E+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) 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)	BDBM50531165 (CHEMBL4519613) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)S(F)(=O)=O)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12 |r| Show InChI InChI=1S/C27H24FN7O7S/c28-43(39,40)17-6-4-15(5-7-17)26(38)41-12-19-21(36)22(37)25(42-19)35-24-20(23(29)32-13-33-24)34-27(35)31-11-14-3-8-18-16(10-14)2-1-9-30-18/h1-10,13,19,21-22,25,36-37H,11-12H2,(H,31,34)(H2,29,32,33)/t19-,21-,22-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70E+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) 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	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)	BDBM50531167 (CHEMBL4583945) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CCCOC(=O)C=C)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C22H25ClN6O5/c1-2-15(30)33-9-3-4-14-17(31)18(32)21(34-14)29-20-16(19(24)26-11-27-20)28-22(29)25-10-12-5-7-13(23)8-6-12/h2,5-8,11,14,17-18,21,31-32H,1,3-4,9-10H2,(H,25,28)(H2,24,26,27)/t14-,17-,18-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	7.20E+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 19 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				3D Structure (crystal)
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50531167 (CHEMBL4583945) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CCCOC(=O)C=C)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C22H25ClN6O5/c1-2-15(30)33-9-3-4-14-17(31)18(32)21(34-14)29-20-16(19(24)26-11-27-20)28-22(29)25-10-12-5-7-13(23)8-6-12/h2,5-8,11,14,17-18,21,31-32H,1,3-4,9-10H2,(H,25,28)(H2,24,26,27)/t14-,17-,18-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	7.20E+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 19 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				3D Structure (crystal)
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50531172 (CHEMBL4452822) Show SMILES CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H19FN6O7S/c1-21-18-24-11-14(20)22-7-23-15(11)25(18)16-13(27)12(26)10(32-16)6-31-17(28)8-2-4-9(5-3-8)33(19,29)30/h2-5,7,10,12-13,16,26-27H,6H2,1H3,(H,21,24)(H2,20,22,23)/t10-,12-,13-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.00E+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 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)	BDBM50531172 (CHEMBL4452822) Show SMILES CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H19FN6O7S/c1-21-18-24-11-14(20)22-7-23-15(11)25(18)16-13(27)12(26)10(32-16)6-31-17(28)8-2-4-9(5-3-8)33(19,29)30/h2-5,7,10,12-13,16,26-27H,6H2,1H3,(H,21,24)(H2,20,22,23)/t10-,12-,13-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.00E+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 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	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
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50531172 (CHEMBL4452822) Show SMILES CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H19FN6O7S/c1-21-18-24-11-14(20)22-7-23-15(11)25(18)16-13(27)12(26)10(32-16)6-31-17(28)8-2-4-9(5-3-8)33(19,29)30/h2-5,7,10,12-13,16,26-27H,6H2,1H3,(H,21,24)(H2,20,22,23)/t10-,12-,13-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+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) after 0.33 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)	BDBM50531172 (CHEMBL4452822) Show SMILES CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H19FN6O7S/c1-21-18-24-11-14(20)22-7-23-15(11)25(18)16-13(27)12(26)10(32-16)6-31-17(28)8-2-4-9(5-3-8)33(19,29)30/h2-5,7,10,12-13,16,26-27H,6H2,1H3,(H,21,24)(H2,20,22,23)/t10-,12-,13-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+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) after 0.33 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)	BDBM50531167 (CHEMBL4583945) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CCCOC(=O)C=C)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C22H25ClN6O5/c1-2-15(30)33-9-3-4-14-17(31)18(32)21(34-14)29-20-16(19(24)26-11-27-20)28-22(29)25-10-12-5-7-13(23)8-6-12/h2,5-8,11,14,17-18,21,31-32H,1,3-4,9-10H2,(H,25,28)(H2,24,26,27)/t14-,17-,18-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	1.70E+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) 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				3D Structure (crystal)
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50531167 (CHEMBL4583945) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CCCOC(=O)C=C)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C22H25ClN6O5/c1-2-15(30)33-9-3-4-14-17(31)18(32)21(34-14)29-20-16(19(24)26-11-27-20)28-22(29)25-10-12-5-7-13(23)8-6-12/h2,5-8,11,14,17-18,21,31-32H,1,3-4,9-10H2,(H,25,28)(H2,24,26,27)/t14-,17-,18-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	1.70E+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) 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				3D Structure (crystal)
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50531167 (CHEMBL4583945) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CCCOC(=O)C=C)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C22H25ClN6O5/c1-2-15(30)33-9-3-4-14-17(31)18(32)21(34-14)29-20-16(19(24)26-11-27-20)28-22(29)25-10-12-5-7-13(23)8-6-12/h2,5-8,11,14,17-18,21,31-32H,1,3-4,9-10H2,(H,25,28)(H2,24,26,27)/t14-,17-,18-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	1.80E+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				3D Structure (crystal)
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50531167 (CHEMBL4583945) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CCCOC(=O)C=C)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C22H25ClN6O5/c1-2-15(30)33-9-3-4-14-17(31)18(32)21(34-14)29-20-16(19(24)26-11-27-20)28-22(29)25-10-12-5-7-13(23)8-6-12/h2,5-8,11,14,17-18,21,31-32H,1,3-4,9-10H2,(H,25,28)(H2,24,26,27)/t14-,17-,18-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	1.80E+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				3D Structure (crystal)
Heat shock-related 70 kDa protein 2 (Homo sapiens)	BDBM50531172 (CHEMBL4452822) Show SMILES CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H19FN6O7S/c1-21-18-24-11-14(20)22-7-23-15(11)25(18)16-13(27)12(26)10(32-16)6-31-17(28)8-2-4-9(5-3-8)33(19,29)30/h2-5,7,10,12-13,16,26-27H,6H2,1H3,(H,21,24)(H2,20,22,23)/t10-,12-,13-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+5	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)	BDBM50531172 (CHEMBL4452822) Show SMILES CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H19FN6O7S/c1-21-18-24-11-14(20)22-7-23-15(11)25(18)16-13(27)12(26)10(32-16)6-31-17(28)8-2-4-9(5-3-8)33(19,29)30/h2-5,7,10,12-13,16,26-27H,6H2,1H3,(H,21,24)(H2,20,22,23)/t10-,12-,13-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+5	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)	BDBM50531169 (CHEMBL4592795) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](O[C@@H]2COC(=O)c1ccc(cc1)S(F)(=O)=O)n1c(NCc2ccc(Cl)cc2)nc2c(N)ncnc12 |r| Show InChI InChI=1S/C27H26ClFN6O7S/c1-27(2)41-20-18(12-39-25(36)15-5-9-17(10-6-15)43(29,37)38)40-24(21(20)42-27)35-23-19(22(30)32-13-33-23)34-26(35)31-11-14-3-7-16(28)8-4-14/h3-10,13,18,20-21,24H,11-12H2,1-2H3,(H,31,34)(H2,30,32,33)/t18-,20-,21-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	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)	BDBM50531169 (CHEMBL4592795) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](O[C@@H]2COC(=O)c1ccc(cc1)S(F)(=O)=O)n1c(NCc2ccc(Cl)cc2)nc2c(N)ncnc12 |r| Show InChI InChI=1S/C27H26ClFN6O7S/c1-27(2)41-20-18(12-39-25(36)15-5-9-17(10-6-15)43(29,37)38)40-24(21(20)42-27)35-23-19(22(30)32-13-33-23)34-26(35)31-11-14-3-7-16(28)8-4-14/h3-10,13,18,20-21,24H,11-12H2,1-2H3,(H,31,34)(H2,30,32,33)/t18-,20-,21-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	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)	BDBM50531169 (CHEMBL4592795) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](O[C@@H]2COC(=O)c1ccc(cc1)S(F)(=O)=O)n1c(NCc2ccc(Cl)cc2)nc2c(N)ncnc12 |r| Show InChI InChI=1S/C27H26ClFN6O7S/c1-27(2)41-20-18(12-39-25(36)15-5-9-17(10-6-15)43(29,37)38)40-24(21(20)42-27)35-23-19(22(30)32-13-33-23)34-26(35)31-11-14-3-7-16(28)8-4-14/h3-10,13,18,20-21,24H,11-12H2,1-2H3,(H,31,34)(H2,30,32,33)/t18-,20-,21-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	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)	BDBM50531169 (CHEMBL4592795) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](O[C@@H]2COC(=O)c1ccc(cc1)S(F)(=O)=O)n1c(NCc2ccc(Cl)cc2)nc2c(N)ncnc12 |r| Show InChI InChI=1S/C27H26ClFN6O7S/c1-27(2)41-20-18(12-39-25(36)15-5-9-17(10-6-15)43(29,37)38)40-24(21(20)42-27)35-23-19(22(30)32-13-33-23)34-26(35)31-11-14-3-7-16(28)8-4-14/h3-10,13,18,20-21,24H,11-12H2,1-2H3,(H,31,34)(H2,30,32,33)/t18-,20-,21-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	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

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