BDBM64549 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide::4-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide::MLS000086338::SMR000021840::cid_2158952

SMILES: COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCc3ccccc23)o1

InChI Key: InChIKey=SZCXNOMNBFVNRN-UHFFFAOYSA-N

Data: 4 EC50

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 = 64549   

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 90 (Candida albicans)	BDBM64549 (4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(4-m...) Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCc3ccccc23)o1 Show InChI InChI=1S/C25H22N4O5S/c1-33-20-12-8-19(9-13-20)24-27-28-25(34-24)26-23(30)18-10-14-21(15-11-18)35(31,32)29-16-4-6-17-5-2-3-7-22(17)29/h2-3,5,7-15H,4,6,16H2,1H3,(H,26,28,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, stress response Primary Collaborators: Susan Lindquist, Whitehead Insti...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2H41PWZ
					More data for this Ligand-Target Pair
heat shock protein 90 (Candida albicans)	BDBM64549 (4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(4-m...) Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCc3ccccc23)o1 Show InChI InChI=1S/C25H22N4O5S/c1-33-20-12-8-19(9-13-20)24-27-28-25(34-24)26-23(30)18-10-14-21(15-11-18)35(31,32)29-16-4-6-17-5-2-3-7-22(17)29/h2-3,5,7-15H,4,6,16H2,1H3,(H,26,28,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	193	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q26M358G
					More data for this Ligand-Target Pair
heat shock protein 90 (Candida albicans)	BDBM64549 (4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(4-m...) Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCc3ccccc23)o1 Show InChI InChI=1S/C25H22N4O5S/c1-33-20-12-8-19(9-13-20)24-27-28-25(34-24)26-23(30)18-10-14-21(15-11-18)35(31,32)29-16-4-6-17-5-2-3-7-22(17)29/h2-3,5,7-15H,4,6,16H2,1H3,(H,26,28,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, stress response Assay Overview: Method for determining if compound acts as Hsp90 inh...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2V986HQ
					More data for this Ligand-Target Pair
calcineurin A1, putative (Candida dubliniensis CD36)	BDBM64549 (4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(4-m...) Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCc3ccccc23)o1 Show InChI InChI=1S/C25H22N4O5S/c1-33-20-12-8-19(9-13-20)24-27-28-25(34-24)26-23(30)18-10-14-21(15-11-18)35(31,32)29-16-4-6-17-5-2-3-7-22(17)29/h2-3,5,7-15H,4,6,16H2,1H3,(H,26,28,30)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Candida albicans, drug resistance, Fluconazole, calcineurin, stress response Assay Overview: Method for determining if compound acts as Ca...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CC0Z46
					More data for this Ligand-Target Pair