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SMILES: Nc1nc(Cl)c2nc(O)n(Cc3cc4OCOc4cc3Br)c2n1

InChI Key:

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50571896   

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 protein 75 kDa, mitochondrial (Homo sapiens (Human))	BDBM50571896 (CHEMBL4869481) Show SMILES Nc1nc(Cl)c2nc(O)n(Cc3cc4OCOc4cc3Br)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00213 BindingDB Entry DOI: 10.7270/Q2G164M9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endoplasmin (Homo sapiens (Human))	BDBM50571896 (CHEMBL4869481) Show SMILES Nc1nc(Cl)c2nc(O)n(Cc3cc4OCOc4cc3Br)c2n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00213 BindingDB Entry DOI: 10.7270/Q2G164M9
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50571896 (CHEMBL4869481) Show SMILES Nc1nc(Cl)c2nc(O)n(Cc3cc4OCOc4cc3Br)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	394	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00213 BindingDB Entry DOI: 10.7270/Q2G164M9
					More data for this Ligand-Target Pair