BDBM64596 7-Chloro-2-pyridin-3-yl-5-thiophen-2-yl-3H-benzo[e][1,2,4]triazepine::7-chloranyl-2-pyridin-3-yl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine::7-chloro-2-(3-pyridinyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine::7-chloro-2-(3-pyridyl)-5-(2-thienyl)-4H-1,3,4-benzotriazepine::7-chloro-2-pyridin-3-yl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine::MLS000553261::SMR000172707::cid_855788

SMILES: Clc1ccc2=NC(=NNC(c3cccs3)=c2c1)c1cccnc1

InChI Key: InChIKey=MZUIQTIBXQVQAV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 64596   

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)	BDBM64596 (7-Chloro-2-pyridin-3-yl-5-thiophen-2-yl-3H-benzo[e...) Show SMILES Clc1ccc2=NC(=NNC(c3cccs3)=c2c1)c1cccnc1 |c:6,15,t:4| Show InChI InChI=1S/C17H11ClN4S/c18-12-5-6-14-13(9-12)16(15-4-2-8-23-15)21-22-17(20-14)11-3-1-7-19-10-11/h1-10,21H	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.68E+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
heat shock protein 90 (Candida albicans)	BDBM64596 (7-Chloro-2-pyridin-3-yl-5-thiophen-2-yl-3H-benzo[e...) Show SMILES Clc1ccc2=NC(=NNC(c3cccs3)=c2c1)c1cccnc1 |c:6,15,t:4| Show InChI InChI=1S/C17H11ClN4S/c18-12-5-6-14-13(9-12)16(15-4-2-8-23-15)21-22-17(20-14)11-3-1-7-19-10-11/h1-10,21H	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	<100	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