BDBM50087720 CHEMBL3426780

SMILES: CC(C)NCCCn1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc12

InChI Key: InChIKey=SNYMPSKRLVXMEM-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 = 50087720   

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))	BDBM50087720 (CHEMBL3426780) Show SMILES CC(C)NCCCn1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc12 Show InChI InChI=1S/C17H20Cl2N6S/c1-10(2)21-6-3-7-25-16-14(15(20)22-9-23-16)24-17(25)26-13-5-4-11(18)8-12(13)19/h4-5,8-10,21H,3,6-7H2,1-2H3,(H2,20,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	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))	BDBM50087720 (CHEMBL3426780) Show SMILES CC(C)NCCCn1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc12 Show InChI InChI=1S/C17H20Cl2N6S/c1-10(2)21-6-3-7-25-16-14(15(20)22-9-23-16)24-17(25)26-13-5-4-11(18)8-12(13)19/h4-5,8-10,21H,3,6-7H2,1-2H3,(H2,20,22,23)	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	2.03E+4	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