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3 similar compounds to monomer 37106

Compile data set for download or QSAR
Wt: 281.3
BDBM64929
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Wt: 440.5
BDBM78723
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Wt: 315.7
BDBM90856
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 64929,78723,90856   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
heat shock protein 90


(Candida albicans)
BDBM64929
PNG
(5-hydroxy-2-methyl-1-phenyl-3-indolecarboxylic aci...)
Show SMILES COC(=O)c1c(C)n(-c2ccccc2)c2ccc(O)cc12
Show InChI InChI=1S/C17H15NO3/c1-11-16(17(20)21-2)14-10-13(19)8-9-15(14)18(11)12-6-4-3-5-7-12/h3-10,19H,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.16E+3n/an/an/an/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
corticotropin releasing factor-binding protein


(Homo sapiens)
BDBM90856
PNG
(1-(4-chlorophenyl)-5-methoxy-2-methyl-1H-indole-3-...)
Show SMILES COc1ccc2n(c(C)c(C(O)=O)c2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H14ClNO3/c1-10-16(17(20)21)14-9-13(22-2)7-8-15(14)19(10)12-5-3-11(18)4-6-12/h3-9H,1-2H3,(H,20,21)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.30E+4n/an/an/an/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 (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78723
PNG
(5-[2-hydroxy-3-(3-hydroxypropylamino)propoxy]-2-me...)
Show SMILES CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCC(O)CNCCCO)cc12
Show InChI InChI=1S/C25H32N2O5/c1-4-31-25(30)24-18(3)27(19-8-6-17(2)7-9-19)23-11-10-21(14-22(23)24)32-16-20(29)15-26-12-5-13-28/h6-11,14,20,26,28-29H,4-5,12-13,15-16H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.00E+4n/an/an/an/an/an/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair