BDBM64545 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester::3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester::MLS000053776::SMR000068223::[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate::[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate::cid_5742508

SMILES: Cc1nn(c(C)c1C(=O)OCC(=O)C(C#N)c1nc2ccccc2[nH]1)-c1ccccc1

InChI Key: InChIKey=NQGQLSHEHZSMMQ-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 = 64545   

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)	BDBM64545 (3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [3...) Show SMILES Cc1nn(c(C)c1C(=O)OCC(=O)C(C#N)c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H19N5O3/c1-14-21(15(2)28(27-14)16-8-4-3-5-9-16)23(30)31-13-20(29)17(12-24)22-25-18-10-6-7-11-19(18)26-22/h3-11,17H,13H2,1-2H3,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	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
heat shock protein 90 (Candida albicans)	BDBM64545 (3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [3...) Show SMILES Cc1nn(c(C)c1C(=O)OCC(=O)C(C#N)c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H19N5O3/c1-14-21(15(2)28(27-14)16-8-4-3-5-9-16)23(30)31-13-20(29)17(12-24)22-25-18-10-6-7-11-19(18)26-22/h3-11,17H,13H2,1-2H3,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.03E+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)	BDBM64545 (3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [3...) Show SMILES Cc1nn(c(C)c1C(=O)OCC(=O)C(C#N)c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H19N5O3/c1-14-21(15(2)28(27-14)16-8-4-3-5-9-16)23(30)31-13-20(29)17(12-24)22-25-18-10-6-7-11-19(18)26-22/h3-11,17H,13H2,1-2H3,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	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)	BDBM64545 (3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [3...) Show SMILES Cc1nn(c(C)c1C(=O)OCC(=O)C(C#N)c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H19N5O3/c1-14-21(15(2)28(27-14)16-8-4-3-5-9-16)23(30)31-13-20(29)17(12-24)22-25-18-10-6-7-11-19(18)26-22/h3-11,17H,13H2,1-2H3,(H,25,26)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	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