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BDBM89474 9H-fluoren-9-ylmethyl N-[(3S,6S,8Z,11R)-6-[2-[2-hydroxyethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-5,12-bis(oxidanylidene)-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]carbamate::9H-fluoren-9-ylmethyl N-[(3S,6S,8Z,11R)-6-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]carbamate::MLS002320452::N-[(3S,6S,8Z,11R)-6-[2-[2-hydroxyethyl-(phenylmethyl)amino]-2-oxoethyl]-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]carbamic acid 9H-fluoren-9-ylmethyl ester::N-[(3S,6S,8Z,11R)-6-[2-[benzyl(2-hydroxyethyl)amino]-2-keto-ethyl]-5,12-diketo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]carbamic acid 9H-fluoren-9-ylmethyl ester::SMR001338077::cid_44201933

SMILES: OCCN(Cc1ccccc1)C(=O)C[C@@H]1C\C=C/C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)OC[C@@H](NC1=O)c1ccccc1

InChI Key: InChIKey=XEZUTDLZTTZCIX-VFXPICLYSA-N

Data: 2 IC50

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 = 89474   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein Wnt-3a


(Mus musculus)
BDBM89474
PNG
(9H-fluoren-9-ylmethyl N-[(3S,6S,8Z,11R)-6-[2-[2-hy...)
Show SMILES OCCN(Cc1ccccc1)C(=O)C[C@@H]1C\C=C/C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)OC[C@@H](NC1=O)c1ccccc1
Show InChI InChI=1S/C42H43N3O7/c46-24-23-45(26-29-13-3-1-4-14-29)39(47)25-31-17-7-12-22-37(41(49)51-28-38(43-40(31)48)30-15-5-2-6-16-30)44-42(50)52-27-36-34-20-10-8-18-32(34)33-19-9-11-21-35(33)36/h1-16,18-21,31,36-38,46H,17,22-28H2,(H,43,48)(H,44,50)/b12-7-/t31-,37+,38+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.23E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q25B012X
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89474
PNG
(9H-fluoren-9-ylmethyl N-[(3S,6S,8Z,11R)-6-[2-[2-hy...)
Show SMILES OCCN(Cc1ccccc1)C(=O)C[C@@H]1C\C=C/C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)OC[C@@H](NC1=O)c1ccccc1
Show InChI InChI=1S/C42H43N3O7/c46-24-23-45(26-29-13-3-1-4-14-29)39(47)25-31-17-7-12-22-37(41(49)51-28-38(43-40(31)48)30-15-5-2-6-16-30)44-42(50)52-27-36-34-20-10-8-18-32(34)33-19-9-11-21-35(33)36/h1-16,18-21,31,36-38,46H,17,22-28H2,(H,43,48)(H,44,50)/b12-7-/t31-,37+,38+/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.19E+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, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair