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BDBM56806 4-(hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate::4-phenylbenzoic acid [(3aS,4R,5S,6aR)-2-keto-4-methylol-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] ester::4-phenylbenzoic acid [(3aS,4R,5S,6aR)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] ester::MLS000859016::SMR000459195::[(3aS,4R,5S,6aR)-4-(hydroxymethyl)-2-oxidanylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate::[(3aS,4R,5S,6aR)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate::cid_289982

SMILES: OC[C@@H]1[C@H](C[C@H]2OC(=O)C[C@@H]12)OC(=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=SZJVIFMPKWMGSX-OKYOBFRVSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 56806   
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
Kallikrein 5


(Homo sapiens (Human))
BDBM56806
PNG
(4-(hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]f...)
Show SMILES OC[C@@H]1[C@H](C[C@H]2OC(=O)C[C@@H]12)OC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H20O5/c22-12-17-16-10-20(23)25-18(16)11-19(17)26-21(24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-19,22H,10-12H2/t16-,17-,18+,19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair