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BDBM50137778 2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-diethylsulfamoyl-benzamide::CHEMBL329363::MurF inhibitor, 2

SMILES: CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1C#N

InChI Key: InChIKey=MZCDQILVXXIMEV-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50137778   
Target
(Institution)
LigandTarget
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-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)


(Streptococcus pneumoniae)
BDBM50137778
PNG
(2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C19H20ClN3O3S2/c1-3-23(4-2)28(25,26)12-8-9-16(20)14(10-12)18(24)22-19-15(11-21)13-6-5-7-17(13)27-19/h8-10H,3-7H2,1-2H3,(H,22,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Inhibition of D-Ala-D-Ala adding enzyme (MurF) from Streptococcus pneumoniase.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137778
PNG
(2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C19H20ClN3O3S2/c1-3-23(4-2)28(25,26)12-8-9-16(20)14(10-12)18(24)22-19-15(11-21)13-6-5-7-17(13)27-19/h8-10H,3-7H2,1-2H3,(H,22,24)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)