null

SMILES: Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)nc(Cl)c3)nc12

InChI Key: InChIKey=UFFUNOBLCJEJDR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50087449   

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
Endoplasmin (Homo sapiens (Human))	BDBM50087449 (CHEMBL3426736) Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)nc(Cl)c3)nc12 Show InChI InChI=1S/C15H12Cl2N6S/c1-2-3-4-5-23-14-12(13(18)19-8-20-14)22-15(23)24-9-6-10(16)21-11(17)7-9/h1,6-8H,3-5H2,(H2,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Curated by ChEMBL					Assay Description Displacement of Cy3B-GM from recombinant Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay				J Med Chem 58: 3922-43 (2015) Article DOI: 10.1021/acs.jmedchem.5b00197 BindingDB Entry DOI: 10.7270/Q2CC12DD
					More data for this Ligand-Target Pair
Heat shock protein 75 kDa, mitochondrial (Homo sapiens (Human))	BDBM50087449 (CHEMBL3426736) Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)nc(Cl)c3)nc12 Show InChI InChI=1S/C15H12Cl2N6S/c1-2-3-4-5-23-14-12(13(18)19-8-20-14)22-15(23)24-9-6-10(16)21-11(17)7-9/h1,6-8H,3-5H2,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Curated by ChEMBL					Assay Description Displacement of PU-FITC3 from recombinant TRAP-1 (unknown origin) after 24 hrs by fluorescence polarization assay				J Med Chem 58: 3922-43 (2015) Article DOI: 10.1021/acs.jmedchem.5b00197 BindingDB Entry DOI: 10.7270/Q2CC12DD
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50087449 (CHEMBL3426736) Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)nc(Cl)c3)nc12 Show InChI InChI=1S/C15H12Cl2N6S/c1-2-3-4-5-23-14-12(13(18)19-8-20-14)22-15(23)24-9-6-10(16)21-11(17)7-9/h1,6-8H,3-5H2,(H2,18,19,20)	PDB MMDB NCI pathway 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	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Curated by ChEMBL					Assay Description Displacement of Cy3B-GM from recombinant Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay				J Med Chem 58: 3922-43 (2015) Article DOI: 10.1021/acs.jmedchem.5b00197 BindingDB Entry DOI: 10.7270/Q2CC12DD
					More data for this Ligand-Target Pair