null

SMILES: CCCC(C)n1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc12

InChI Key: InChIKey=WBRCSQKAHZWSMP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50087523   

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 HSP 90-alpha (Homo sapiens (Human))	BDBM50087523 (CHEMBL3426755) Show SMILES CCCC(C)n1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc12 Show InChI InChI=1S/C16H17Cl2N5S/c1-3-4-9(2)23-15-13(14(19)20-8-21-15)22-16(23)24-12-6-5-10(17)7-11(12)18/h5-9H,3-4H2,1-2H3,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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
Heat shock protein 75 kDa, mitochondrial (Homo sapiens (Human))	BDBM50087523 (CHEMBL3426755) Show SMILES CCCC(C)n1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc12 Show InChI InChI=1S/C16H17Cl2N5S/c1-3-4-9(2)23-15-13(14(19)20-8-21-15)22-16(23)24-12-6-5-10(17)7-11(12)18/h5-9H,3-4H2,1-2H3,(H2,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	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
Endoplasmin (Homo sapiens (Human))	BDBM50087523 (CHEMBL3426755) Show SMILES CCCC(C)n1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc12 Show InChI InChI=1S/C16H17Cl2N5S/c1-3-4-9(2)23-15-13(14(19)20-8-21-15)22-16(23)24-12-6-5-10(17)7-11(12)18/h5-9H,3-4H2,1-2H3,(H2,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.48E+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