BDBM54164 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide::4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide::MLS000086339::SMR000021841::cid_2158953

SMILES: COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCc3ccccc3C2)o1

InChI Key: InChIKey=NYQBHBXODXDEOK-UHFFFAOYSA-N

Data: 2 IC50  5 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 7 hits for monomerid = 54164   

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
nucleotide-binding oligomerization domain containing 2 (Homo sapiens (Human))	BDBM54164 (4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(...) Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCc3ccccc3C2)o1 Show InChI InChI=1S/C25H22N4O5S/c1-33-21-10-6-19(7-11-21)24-27-28-25(34-24)26-23(30)18-8-12-22(13-9-18)35(31,32)29-15-14-17-4-2-3-5-20(17)16-29/h2-13H,14-16H2,1H3,(H,26,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R8T
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM54164 (4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(...) Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCc3ccccc3C2)o1 Show InChI InChI=1S/C25H22N4O5S/c1-33-21-10-6-19(7-11-21)24-27-28-25(34-24)26-23(30)18-8-12-22(13-9-18)35(31,32)29-15-14-17-4-2-3-5-20(17)16-29/h2-13H,14-16H2,1H3,(H,26,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CN72C0
					More data for this Ligand-Target Pair
heat shock protein 90 (Candida albicans)	BDBM54164 (4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(...) Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCc3ccccc3C2)o1 Show InChI InChI=1S/C25H22N4O5S/c1-33-21-10-6-19(7-11-21)24-27-28-25(34-24)26-23(30)18-8-12-22(13-9-18)35(31,32)29-15-14-17-4-2-3-5-20(17)16-29/h2-13H,14-16H2,1H3,(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, 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
Tumor necrosis factor (Homo sapiens (Human))	BDBM54164 (4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(...) Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCc3ccccc3C2)o1 Show InChI InChI=1S/C25H22N4O5S/c1-33-21-10-6-19(7-11-21)24-27-28-25(34-24)26-23(30)18-8-12-22(13-9-18)35(31,32)29-15-14-17-4-2-3-5-20(17)16-29/h2-13H,14-16H2,1H3,(H,26,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25M6443
					More data for this Ligand-Target Pair
heat shock protein 90 (Candida albicans)	BDBM54164 (4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(...) Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCc3ccccc3C2)o1 Show InChI InChI=1S/C25H22N4O5S/c1-33-21-10-6-19(7-11-21)24-27-28-25(34-24)26-23(30)18-8-12-22(13-9-18)35(31,32)29-15-14-17-4-2-3-5-20(17)16-29/h2-13H,14-16H2,1H3,(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
heat shock protein 90 (Candida albicans)	BDBM54164 (4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(...) Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCc3ccccc3C2)o1 Show InChI InChI=1S/C25H22N4O5S/c1-33-21-10-6-19(7-11-21)24-27-28-25(34-24)26-23(30)18-8-12-22(13-9-18)35(31,32)29-15-14-17-4-2-3-5-20(17)16-29/h2-13H,14-16H2,1H3,(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	747	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
calcineurin A1, putative (Candida dubliniensis CD36)	BDBM54164 (4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(...) Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCc3ccccc3C2)o1 Show InChI InChI=1S/C25H22N4O5S/c1-33-21-10-6-19(7-11-21)24-27-28-25(34-24)26-23(30)18-8-12-22(13-9-18)35(31,32)29-15-14-17-4-2-3-5-20(17)16-29/h2-13H,14-16H2,1H3,(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