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BDBM50322673 2'-(9H-fluoren-2-ylcarbamoyl)-4,4'-dichlorobiphenyl-2-carboxylic acid::CHEMBL1173812

SMILES: OC(=O)c1cc(Cl)ccc1-c1ccc(Cl)cc1C(=O)Nc1ccc-2c(Cc3ccccc-23)c1

InChI Key: InChIKey=OIMNBUIMEWNYHL-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50322673   
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
UDP-galactose 4-epimerase


(Trypanosoma brucei)
BDBM50322673
PNG
(2'-(9H-fluoren-2-ylcarbamoyl)-4,4'-dichlorobipheny...)
Show SMILES OC(=O)c1cc(Cl)ccc1-c1ccc(Cl)cc1C(=O)Nc1ccc-2c(Cc3ccccc-23)c1
Show InChI InChI=1S/C27H17Cl2NO3/c28-17-5-8-22(23-9-6-18(29)14-25(23)27(32)33)24(13-17)26(31)30-19-7-10-21-16(12-19)11-15-3-1-2-4-20(15)21/h1-10,12-14H,11H2,(H,30,31)(H,32,33)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged Trypanosoma brucei UDP-galactose-4'epimerase expressed in Escherichia coli


J Med Chem 53: 5025-32 (2010)


Article DOI: 10.1021/jm100456a
BindingDB Entry DOI: 10.7270/Q2M045N9
More data for this
Ligand-Target Pair
Botulinum neurotoxin type E


(Clostridium botulinum)
BDBM50322673
PNG
(2'-(9H-fluoren-2-ylcarbamoyl)-4,4'-dichlorobipheny...)
Show SMILES OC(=O)c1cc(Cl)ccc1-c1ccc(Cl)cc1C(=O)Nc1ccc-2c(Cc3ccccc-23)c1
Show InChI InChI=1S/C27H17Cl2NO3/c28-17-5-8-22(23-9-6-18(29)14-25(23)27(32)33)24(13-17)26(31)30-19-7-10-21-16(12-19)11-15-3-1-2-4-20(15)21/h1-10,12-14H,11H2,(H,30,31)(H,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Brookhaven National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of endopeptidase activity of Clostridium botulinum BoNT/E light chain using SNAP-25 as substrate after 15 mins by HPLC analysis


Bioorg Med Chem 24: 3978-3985 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1V28
More data for this
Ligand-Target Pair