BDBM50531170 CHEMBL4593659

SMILES: Nc1ncnc2n([C@@H]3O[C@H](COC(=O)c4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12

InChI Key: InChIKey=BBMZZDJFOPNWOF-ZDXOVATRSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50531170   

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)	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 UniProtKB/TrEMBL 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
					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 UniProtKB/TrEMBL 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
					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 UniProtKB/TrEMBL 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
					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 UniProtKB/TrEMBL 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
					More data for this Ligand-Target Pair