BDBM50531168 CHEMBL4525506

SMILES: Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12

InChI Key: InChIKey=HFLGBLYGFPCDKX-UMCMBGNQSA-N

Data: 2 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 2 hits for monomerid = 50531168   

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