BDBM64539 (6E)-2-methoxy-6-[4-(propan-2-ylamino)-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone::(6E)-2-methoxy-6-[4-(propan-2-ylamino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one::(6E)-6-[4-(isopropylamino)-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one::MLS000081083::SMR000043404::cid_5389589

SMILES: COc1cccc(c1O)-c1nc(NC(C)C)c2ccccc2n1

InChI Key: InChIKey=XFJDOMZEJAXJPU-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 = 64539   

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)	BDBM64539 ((6E)-2-methoxy-6-[4-(propan-2-ylamino)-1H-quinazol...) Show SMILES COc1cccc(c1O)-c1nc(NC(C)C)c2ccccc2n1 Show InChI InChI=1S/C18H19N3O2/c1-11(2)19-17-12-7-4-5-9-14(12)20-18(21-17)13-8-6-10-15(23-3)16(13)22/h4-11,22H,1-3H3,(H,19,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.60E+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
heat shock protein 90 (Candida albicans)	BDBM64539 ((6E)-2-methoxy-6-[4-(propan-2-ylamino)-1H-quinazol...) Show SMILES COc1cccc(c1O)-c1nc(NC(C)C)c2ccccc2n1 Show InChI InChI=1S/C18H19N3O2/c1-11(2)19-17-12-7-4-5-9-14(12)20-18(21-17)13-8-6-10-15(23-3)16(13)22/h4-11,22H,1-3H3,(H,19,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.20E+3	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)	BDBM64539 ((6E)-2-methoxy-6-[4-(propan-2-ylamino)-1H-quinazol...) Show SMILES COc1cccc(c1O)-c1nc(NC(C)C)c2ccccc2n1 Show InChI InChI=1S/C18H19N3O2/c1-11(2)19-17-12-7-4-5-9-14(12)20-18(21-17)13-8-6-10-15(23-3)16(13)22/h4-11,22H,1-3H3,(H,19,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.45E+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/Q2V986HQ
					More data for this Ligand-Target Pair
calcineurin A1, putative (Candida dubliniensis CD36)	BDBM64539 ((6E)-2-methoxy-6-[4-(propan-2-ylamino)-1H-quinazol...) Show SMILES COc1cccc(c1O)-c1nc(NC(C)C)c2ccccc2n1 Show InChI InChI=1S/C18H19N3O2/c1-11(2)19-17-12-7-4-5-9-14(12)20-18(21-17)13-8-6-10-15(23-3)16(13)22/h4-11,22H,1-3H3,(H,19,20,21)	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