BDBM50087575 CHEMBL3426763

SMILES: Nc1ncnc2n(CCCC#C)c(nc12)C(=O)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=FKXRNDGSXRXKNT-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 = 50087575   

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))	BDBM50087575 (CHEMBL3426763) Show SMILES Nc1ncnc2n(CCCC#C)c(nc12)C(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C17H13Cl2N5O/c1-2-3-4-7-24-16-13(15(20)21-9-22-16)23-17(24)14(25)11-6-5-10(18)8-12(11)19/h1,5-6,8-9H,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 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))	BDBM50087575 (CHEMBL3426763) Show SMILES Nc1ncnc2n(CCCC#C)c(nc12)C(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C17H13Cl2N5O/c1-2-3-4-7-24-16-13(15(20)21-9-22-16)23-17(24)14(25)11-6-5-10(18)8-12(11)19/h1,5-6,8-9H,3-4,7H2,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.98E+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))	BDBM50087575 (CHEMBL3426763) Show SMILES Nc1ncnc2n(CCCC#C)c(nc12)C(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C17H13Cl2N5O/c1-2-3-4-7-24-16-13(15(20)21-9-22-16)23-17(24)14(25)11-6-5-10(18)8-12(11)19/h1,5-6,8-9H,3-4,7H2,(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	340	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