BDBM50087574 CHEMBL3426762

SMILES: Nc1ncnc2n(CCCC#C)c(Cc3ccc(Cl)cc3Cl)nc12

InChI Key: InChIKey=WEKCPOJSNIFBEO-UHFFFAOYSA-N

Data: 2 IC50

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 = 50087574   

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))	BDBM50087574 (CHEMBL3426762) Show SMILES Nc1ncnc2n(CCCC#C)c(Cc3ccc(Cl)cc3Cl)nc12 Show InChI InChI=1S/C17H15Cl2N5/c1-2-3-4-7-24-14(8-11-5-6-12(18)9-13(11)19)23-15-16(20)21-10-22-17(15)24/h1,5-6,9-10H,3-4,7-8H2,(H2,20,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	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 HSP 90-alpha (Homo sapiens (Human))	BDBM50087574 (CHEMBL3426762) Show SMILES Nc1ncnc2n(CCCC#C)c(Cc3ccc(Cl)cc3Cl)nc12 Show InChI InChI=1S/C17H15Cl2N5/c1-2-3-4-7-24-14(8-11-5-6-12(18)9-13(11)19)23-15-16(20)21-10-22-17(15)24/h1,5-6,9-10H,3-4,7-8H2,(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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