BDBM50087524 CHEMBL3426756

SMILES: Nc1ncnc2n(CCC#C)c(Sc3ccc(Cl)cc3Cl)nc12

InChI Key: InChIKey=VBRMJZNSXXIWMQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50087524   

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))	BDBM50087524 (CHEMBL3426756) Show SMILES Nc1ncnc2n(CCC#C)c(Sc3ccc(Cl)cc3Cl)nc12 Show InChI InChI=1S/C15H11Cl2N5S/c1-2-3-6-22-14-12(13(18)19-8-20-14)21-15(22)23-11-5-4-9(16)7-10(11)17/h1,4-5,7-8H,3,6H2,(H2,18,19,20)	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	>5.00E+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
Heat shock protein 75 kDa, mitochondrial (Homo sapiens (Human))	BDBM50087524 (CHEMBL3426756) Show SMILES Nc1ncnc2n(CCC#C)c(Sc3ccc(Cl)cc3Cl)nc12 Show InChI InChI=1S/C15H11Cl2N5S/c1-2-3-6-22-14-12(13(18)19-8-20-14)21-15(22)23-11-5-4-9(16)7-10(11)17/h1,4-5,7-8H,3,6H2,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.23E+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
Endoplasmin (Homo sapiens (Human))	BDBM50087524 (CHEMBL3426756) Show SMILES Nc1ncnc2n(CCC#C)c(Sc3ccc(Cl)cc3Cl)nc12 Show InChI InChI=1S/C15H11Cl2N5S/c1-2-3-6-22-14-12(13(18)19-8-20-14)21-15(22)23-11-5-4-9(16)7-10(11)17/h1,4-5,7-8H,3,6H2,(H2,18,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	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