BindingDB logo
myBDB logout

null

SMILES: Clc1ccc(cc1)C(C#N)N1CCCC1

InChI Key: InChIKey=DMRDHKMBZCMILS-UHFFFAOYSA-N

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 1 hit for monomerid = 113813   
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
Acyl-homoserine lactone acylase PvdQ [A190E,F674L]


(Pseudomonas aeruginosa)		BDBM113813
PNG
(2-(4-Chlorophenyl)-2-(pyrrolidin-1-yl)acetonitrile...)
Show SMILES Clc1ccc(cc1)C(C#N)N1CCCC1
Show InChI InChI=1S/C12H13ClN2/c13-11-5-3-10(4-6-11)12(9-14)15-7-1-2-8-15/h3-6,12H,1-2,7-8H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



The Broad Institute , Cambridge, Massachusetts 02142, United States



Assay Description
The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...

ACS Chem Biol 9: 1536-44 (2014)


Article DOI: 10.1021/cb5001586
BindingDB Entry DOI: 10.7270/Q2PC311M
More data for this
Ligand-Target Pair