BDBM64595 MLS000555416::N-[3-(4-Chloro-benzoyl)-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl]-nicotinamide::N-[3-(4-chlorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide::N-[3-(4-chlorobenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]nicotinamide::N-[3-(4-chlorophenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide::N-[3-[(4-chlorophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide::SMR000177109::cid_3134270

SMILES: Clc1ccc(cc1)C(=O)c1c(NC(=O)c2cccnc2)sc2CCCCc12

InChI Key: InChIKey=SXVQPOKDBMQXIS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 64595   

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)	BDBM64595 (MLS000555416 | N-[3-(4-Chloro-benzoyl)-4,5,6,7-tet...) Show SMILES Clc1ccc(cc1)C(=O)c1c(NC(=O)c2cccnc2)sc2CCCCc12 Show InChI InChI=1S/C21H17ClN2O2S/c22-15-9-7-13(8-10-15)19(25)18-16-5-1-2-6-17(16)27-21(18)24-20(26)14-4-3-11-23-12-14/h3-4,7-12H,1-2,5-6H2,(H,24,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	938	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/Q2MC8XGG
					More data for this Ligand-Target Pair
calcineurin A1, putative (Candida dubliniensis CD36)	BDBM64595 (MLS000555416 | N-[3-(4-Chloro-benzoyl)-4,5,6,7-tet...) Show SMILES Clc1ccc(cc1)C(=O)c1c(NC(=O)c2cccnc2)sc2CCCCc12 Show InChI InChI=1S/C21H17ClN2O2S/c22-15-9-7-13(8-10-15)19(25)18-16-5-1-2-6-17(16)27-21(18)24-20(26)14-4-3-11-23-12-14/h3-4,7-12H,1-2,5-6H2,(H,24,26)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.76E+4	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/Q2ZP44K0
					More data for this Ligand-Target Pair
heat shock protein 90 (Candida albicans)	BDBM64595 (MLS000555416 | N-[3-(4-Chloro-benzoyl)-4,5,6,7-tet...) Show SMILES Clc1ccc(cc1)C(=O)c1c(NC(=O)c2cccnc2)sc2CCCCc12 Show InChI InChI=1S/C21H17ClN2O2S/c22-15-9-7-13(8-10-15)19(25)18-16-5-1-2-6-17(16)27-21(18)24-20(26)14-4-3-11-23-12-14/h3-4,7-12H,1-2,5-6H2,(H,24,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.51E+4	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/Q2GM85R4
					More data for this Ligand-Target Pair