Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'kadi' and Initial = 'n'   

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
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50264575 (CHEMBL4076731) Show SMILES Fc1ccc(NC(=O)NCCCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c(F)c1 Show InChI InChI=1S/C28H28F2N4OS/c29-22-15-16-24(23(30)19-22)32-27(35)31-17-9-1-2-10-18-36-28-33-25(20-11-5-3-6-12-20)26(34-28)21-13-7-4-8-14-21/h3-8,11-16,19H,1-2,9-10,17-18H2,(H,33,34)(H2,31,32,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
The Maharaja Sayajirao University of Baroda Curated by ChEMBL					Assay Description Inhibition of human SOAT1				Eur J Med Chem 130: 107-123 (2017) Article DOI: 10.1016/j.ejmech.2017.02.038 BindingDB Entry DOI: 10.7270/Q2SX6GQJ
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM50264575 (CHEMBL4076731) Show SMILES Fc1ccc(NC(=O)NCCCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c(F)c1 Show InChI InChI=1S/C28H28F2N4OS/c29-22-15-16-24(23(30)19-22)32-27(35)31-17-9-1-2-10-18-36-28-33-25(20-11-5-3-6-12-20)26(34-28)21-13-7-4-8-14-21/h3-8,11-16,19H,1-2,9-10,17-18H2,(H,33,34)(H2,31,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Maharaja Sayajirao University of Baroda Curated by ChEMBL					Assay Description Inhibition of human SOAT2				Eur J Med Chem 130: 107-123 (2017) Article DOI: 10.1016/j.ejmech.2017.02.038 BindingDB Entry DOI: 10.7270/Q2SX6GQJ
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50184984 (CHEMBL3823700) Show SMILES CNc1c(C#N)c2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H16N6O4/c1-16-11-5(2-14)7-10(15)17-4-18-12(7)19(11)13-9(22)8(21)6(3-20)23-13/h4,6,8-9,13,16,20-22H,3H2,1H3,(H2,15,17,18)/t6-,8-,9-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.39E+3	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50453915 (5''-Deoxyadenosine | 5'-Deoxyadenosine | CHEBI:173...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.32E+5	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM32373 (adenosine-derived inhibitor (Grp78), 8 | adenosine...) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 |r| Show InChI InChI=1S/C17H18Cl2N6O4/c18-8-2-1-7(3-9(8)19)4-21-17-24-11-14(20)22-6-23-15(11)25(17)16-13(28)12(27)10(5-26)29-16/h1-3,6,10,12-13,16,26-28H,4-5H2,(H,21,24)(H2,20,22,23)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50085540 (CHEMBL3427679) Show SMILES Cc1ccc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C18H22N6O4/c1-9-2-4-10(5-3-9)6-20-18-23-12-15(19)21-8-22-16(12)24(18)17-14(27)13(26)11(7-25)28-17/h2-5,8,11,13-14,17,25-27H,6-7H2,1H3,(H,20,23)(H2,19,21,22)/t11-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	295	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50184985 (CHEMBL3822603) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(F)cc3)nc12 |r| Show InChI InChI=1S/C17H19FN6O4/c18-9-3-1-8(2-4-9)5-20-17-23-11-14(19)21-7-22-15(11)24(17)16-13(27)12(26)10(6-25)28-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,20,23)(H2,19,21,22)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	457	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50085537 (CHEMBL3427682) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C17H19ClN6O4/c18-9-3-1-8(2-4-9)5-20-17-23-11-14(19)21-7-22-15(11)24(17)16-13(27)12(26)10(6-25)28-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,20,23)(H2,19,21,22)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM32372 (adenosine-derived inhibitor, 6) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccccc3)nc12 |r| Show InChI InChI=1S/C17H20N6O4/c18-14-11-15(21-8-20-14)23(16-13(26)12(25)10(7-24)27-16)17(22-11)19-6-9-4-2-1-3-5-9/h1-5,8,10,12-13,16,24-26H,6-7H2,(H,19,22)(H2,18,20,21)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM32375 (adenosine-derived inhibitor (Grp78), 9 | adenosine...) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12 |r| Show InChI InChI=1S/C20H21N7O4/c21-17-14-18(25-9-24-17)27(19-16(30)15(29)13(8-28)31-19)20(26-14)23-7-10-3-4-12-11(6-10)2-1-5-22-12/h1-6,9,13,15-16,19,28-30H,7-8H2,(H,23,26)(H2,21,24,25)/t13-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	724	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50049820 (4-Amino-5-carboxamide-7-(D-ribofuranosyl)pyrrolo[2...) Show SMILES NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r| Show InChI InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	3.24E+3	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50049823 (4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxyme...) Show SMILES Nc1ncnc2n(cc(C#N)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	9.12E+4	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50000298 ('2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROX...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.82E+4	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM14487 ((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.12E+5	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50184986 (CHEMBL3823801) Show SMILES CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H16N6O3/c1-4-6(18)7(19)10(20-4)17-9-5(16-11(17)13-2)8(12)14-3-15-9/h3-4,6-7,10,18-19H,1-2H3,(H,13,16)(H2,12,14,15)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.75E+4	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50184987 (CHEMBL3822515) Show SMILES COc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H15N5O5/c1-20-11-15-5-8(12)13-3-14-9(5)16(11)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	<1.00E+6	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50184988 (CHEMBL3823299) Show SMILES CN(C)c1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H18N6O4/c1-17(2)12-16-6-9(13)14-4-15-10(6)18(12)11-8(21)7(20)5(3-19)22-11/h4-5,7-8,11,19-21H,3H2,1-2H3,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	<1.00E+6	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM32371 (adenosine-derived inhibitor (Grp78), 3 | adenosine...) Show SMILES CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H16N6O4/c1-13-11-16-5-8(12)14-3-15-9(5)17(11)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H,13,16)(H2,12,14,15)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM32370 (adenosine-derived inhibitor (Grp78), 2 | adenosine...) Show SMILES Nc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H14N6O4/c11-7-4-8(14-2-13-7)16(10(12)15-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,15)(H2,11,13,14)/t3-,5-,6-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	6.92E+3	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50368125 (ADENOSINE DIPHOSPHATE | ADP) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50184982 (CHEMBL3822829) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccccc3)c(C#N)c12 |r| Show InChI InChI=1S/C19H20N6O4/c20-6-11-13-16(21)23-9-24-18(13)25(19-15(28)14(27)12(8-26)29-19)17(11)22-7-10-4-2-1-3-5-10/h1-5,9,12,14-15,19,22,26-28H,7-8H2,(H2,21,23,24)/t12-,14-,15-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50184983 (CHEMBL3822684) Show SMILES CNc1c(C(N)=O)c2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H18N6O5/c1-16-11-6(10(15)23)5-9(14)17-3-18-12(5)19(11)13-8(22)7(21)4(2-20)24-13/h3-4,7-8,13,16,20-22H,2H2,1H3,(H2,15,23)(H2,14,17,18)/t4-,7-,8-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50184984 (CHEMBL3823700) Show SMILES CNc1c(C#N)c2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H16N6O4/c1-16-11-5(2-14)7-10(15)17-4-18-12(7)19(11)13-9(22)8(21)6(3-20)23-13/h4,6,8-9,13,16,20-22H,3H2,1H3,(H2,15,17,18)/t6-,8-,9-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50453915 (5''-Deoxyadenosine | 5'-Deoxyadenosine | CHEBI:173...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM32373 (adenosine-derived inhibitor (Grp78), 8 | adenosine...) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 |r| Show InChI InChI=1S/C17H18Cl2N6O4/c18-8-2-1-7(3-9(8)19)4-21-17-24-11-14(20)22-6-23-15(11)25(17)16-13(28)12(27)10(5-26)29-16/h1-3,6,10,12-13,16,26-28H,4-5H2,(H,21,24)(H2,20,22,23)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50085540 (CHEMBL3427679) Show SMILES Cc1ccc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C18H22N6O4/c1-9-2-4-10(5-3-9)6-20-18-23-12-15(19)21-8-22-16(12)24(18)17-14(27)13(26)11(7-25)28-17/h2-5,8,11,13-14,17,25-27H,6-7H2,1H3,(H,20,23)(H2,19,21,22)/t11-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50184985 (CHEMBL3822603) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(F)cc3)nc12 |r| Show InChI InChI=1S/C17H19FN6O4/c18-9-3-1-8(2-4-9)5-20-17-23-11-14(19)21-7-22-15(11)24(17)16-13(27)12(26)10(6-25)28-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,20,23)(H2,19,21,22)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50085537 (CHEMBL3427682) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C17H19ClN6O4/c18-9-3-1-8(2-4-9)5-20-17-23-11-14(19)21-7-22-15(11)24(17)16-13(27)12(26)10(6-25)28-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,20,23)(H2,19,21,22)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM32372 (adenosine-derived inhibitor, 6) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccccc3)nc12 |r| Show InChI InChI=1S/C17H20N6O4/c18-14-11-15(21-8-20-14)23(16-13(26)12(25)10(7-24)27-16)17(22-11)19-6-9-4-2-1-3-5-9/h1-5,8,10,12-13,16,24-26H,6-7H2,(H,19,22)(H2,18,20,21)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM32375 (adenosine-derived inhibitor (Grp78), 9 | adenosine...) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12 |r| Show InChI InChI=1S/C20H21N7O4/c21-17-14-18(25-9-24-17)27(19-16(30)15(29)13(8-28)31-19)20(26-14)23-7-10-3-4-12-11(6-10)2-1-5-22-12/h1-6,9,13,15-16,19,28-30H,7-8H2,(H,23,26)(H2,21,24,25)/t13-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50049820 (4-Amino-5-carboxamide-7-(D-ribofuranosyl)pyrrolo[2...) Show SMILES NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r| Show InChI InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50049823 (4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxyme...) Show SMILES Nc1ncnc2n(cc(C#N)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50000298 ('2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROX...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM14487 ((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50184986 (CHEMBL3823801) Show SMILES CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H16N6O3/c1-4-6(18)7(19)10(20-4)17-9-5(16-11(17)13-2)8(12)14-3-15-9/h3-4,6-7,10,18-19H,1-2H3,(H,13,16)(H2,12,14,15)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50184987 (CHEMBL3822515) Show SMILES COc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H15N5O5/c1-20-11-15-5-8(12)13-3-14-9(5)16(11)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50184988 (CHEMBL3823299) Show SMILES CN(C)c1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H18N6O4/c1-17(2)12-16-6-9(13)14-4-15-10(6)18(12)11-8(21)7(20)5(3-19)22-11/h4-5,7-8,11,19-21H,3H2,1-2H3,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM32371 (adenosine-derived inhibitor (Grp78), 3 | adenosine...) Show SMILES CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H16N6O4/c1-13-11-16-5-8(12)14-3-15-9(5)17(11)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H,13,16)(H2,12,14,15)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM32370 (adenosine-derived inhibitor (Grp78), 2 | adenosine...) Show SMILES Nc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H14N6O4/c11-7-4-8(14-2-13-7)16(10(12)15-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,15)(H2,11,13,14)/t3-,5-,6-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50184983 (CHEMBL3822684) Show SMILES CNc1c(C(N)=O)c2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H18N6O5/c1-16-11-6(10(15)23)5-9(14)17-3-18-12(5)19(11)13-8(22)7(21)4(2-20)24-13/h3-4,7-8,13,16,20-22H,2H2,1H3,(H2,15,23)(H2,14,17,18)/t4-,7-,8-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50368125 (ADENOSINE DIPHOSPHATE | ADP) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	324	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50184982 (CHEMBL3822829) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccccc3)c(C#N)c12 |r| Show InChI InChI=1S/C19H20N6O4/c20-6-11-13-16(21)23-9-24-18(13)25(19-15(28)14(27)12(8-26)29-19)17(11)22-7-10-4-2-1-3-5-10/h1-5,9,12,14-15,19,22,26-28H,7-8H2,(H2,21,23,24)/t12-,14-,15-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
					More data for this Ligand-Target Pair