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BDBM50200319 CHEMBL3902318

SMILES: O=C(OCCNC(=O)c1cccnc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1

InChI Key: InChIKey=YBYJEZJXJIOQAP-IBGZPJMESA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50200319   
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
Outer membrane protein MIP


(Legionella pneumophila)
BDBM50200319
PNG
(CHEMBL3902318)
Show SMILES O=C(OCCNC(=O)c1cccnc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C21H25N3O5S/c25-20(18-9-6-11-22-15-18)23-12-14-29-21(26)19-10-4-5-13-24(19)30(27,28)16-17-7-2-1-3-8-17/h1-3,6-9,11,15,19H,4-5,10,12-14,16H2,(H,23,25)/t19-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.14E+4n/an/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of Mip PPIase activity in Legionella pneumophila


Bioorg Med Chem 24: 5134-5147 (2016)


Article DOI: 10.1016/j.bmc.2016.08.025
BindingDB Entry DOI: 10.7270/Q2GF0WGG
More data for this
Ligand-Target Pair
Outer membrane protein MIP


(Legionella pneumophila)
BDBM50200319
PNG
(CHEMBL3902318)
Show SMILES O=C(OCCNC(=O)c1cccnc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C21H25N3O5S/c25-20(18-9-6-11-22-15-18)23-12-14-29-21(26)19-10-4-5-13-24(19)30(27,28)16-17-7-2-1-3-8-17/h1-3,6-9,11,15,19H,4-5,10,12-14,16H2,(H,23,25)/t19-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.15E+4n/an/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of Mip PPIase activity in Legionella pneumophila


Bioorg Med Chem 24: 5134-5147 (2016)


Article DOI: 10.1016/j.bmc.2016.08.025
BindingDB Entry DOI: 10.7270/Q2GF0WGG
More data for this
Ligand-Target Pair