BDBM50087452 CHEMBL3426739

SMILES: Nc1ncnc2n(CCCC#C)c(Sc3ccc(Cl)c(Cl)c3Cl)nc12

InChI Key: InChIKey=SJJMVWOPNWUEOV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50087452   

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))	BDBM50087452 (CHEMBL3426739) Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3ccc(Cl)c(Cl)c3Cl)nc12 Show InChI InChI=1S/C16H12Cl3N5S/c1-2-3-4-7-24-15-13(14(20)21-8-22-15)23-16(24)25-10-6-5-9(17)11(18)12(10)19/h1,5-6,8H,3-4,7H2,(H2,20,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	430	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-beta (Homo sapiens (Human))	BDBM50087452 (CHEMBL3426739) Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3ccc(Cl)c(Cl)c3Cl)nc12 Show InChI InChI=1S/C16H12Cl3N5S/c1-2-3-4-7-24-15-13(14(20)21-8-22-15)23-16(24)25-10-6-5-9(17)11(18)12(10)19/h1,5-6,8H,3-4,7H2,(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.95E+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 Hsp90beta (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))	BDBM50087452 (CHEMBL3426739) Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3ccc(Cl)c(Cl)c3Cl)nc12 Show InChI InChI=1S/C16H12Cl3N5S/c1-2-3-4-7-24-15-13(14(20)21-8-22-15)23-16(24)25-10-6-5-9(17)11(18)12(10)19/h1,5-6,8H,3-4,7H2,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+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))	BDBM50087452 (CHEMBL3426739) Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3ccc(Cl)c(Cl)c3Cl)nc12 Show InChI InChI=1S/C16H12Cl3N5S/c1-2-3-4-7-24-15-13(14(20)21-8-22-15)23-16(24)25-10-6-5-9(17)11(18)12(10)19/h1,5-6,8H,3-4,7H2,(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 Patents Similars	Article PubMed	n/a	n/a	1.60E+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