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BDBM165194 4‐Chloro‐7‐nitro‐3‐[(5‐phenylpentyl)oxy]isochromen‐1‐one (21)

SMILES: [O-][N+](=O)c1ccc2c(Cl)c(OCCCCCc3ccccc3)oc(=O)c2c1

InChI Key: InChIKey=VKSNRCDTOIDGQI-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 165194   
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
Rhomboid protease (AaROM)


(Aquifex aeolicus (Aquificales))
BDBM165194
PNG
(4‐Chloro‐7‐nitro‐3‐[...)
Show SMILES [O-][N+](=O)c1ccc2c(Cl)c(OCCCCCc3ccccc3)oc(=O)c2c1
Show InChI InChI=1S/C20H18ClNO5/c21-18-16-11-10-15(22(24)25)13-17(16)19(23)27-20(18)26-12-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,10-11,13H,2,5-6,9,12H2
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/a7.437



Technische Universität München



Assay Description
We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.


ACS Chem Biol 10: 2325-33 (2015)

More data for this
Ligand-Target Pair
Rhomboid protease (PhROM)


(Pyrococcus horikoshii (Euryarchaeotes))
BDBM165194
PNG
(4‐Chloro‐7‐nitro‐3‐[...)
Show SMILES [O-][N+](=O)c1ccc2c(Cl)c(OCCCCCc3ccccc3)oc(=O)c2c1
Show InChI InChI=1S/C20H18ClNO5/c21-18-16-11-10-15(22(24)25)13-17(16)19(23)27-20(18)26-12-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,10-11,13H,2,5-6,9,12H2
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+4n/an/an/an/a7.437



Technische Universität München



Assay Description
We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.


ACS Chem Biol 10: 2325-33 (2015)

More data for this
Ligand-Target Pair
Rhomboid protease (TmROM)


(Thermotoga maritima (Thermotogales))
BDBM165194
PNG
(4‐Chloro‐7‐nitro‐3‐[...)
Show SMILES [O-][N+](=O)c1ccc2c(Cl)c(OCCCCCc3ccccc3)oc(=O)c2c1
Show InChI InChI=1S/C20H18ClNO5/c21-18-16-11-10-15(22(24)25)13-17(16)19(23)27-20(18)26-12-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,10-11,13H,2,5-6,9,12H2
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+4n/an/an/an/a7.437



Technische Universität München



Assay Description
We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.


ACS Chem Biol 10: 2325-33 (2015)

More data for this
Ligand-Target Pair
Rhomboid protease (VcROM)


(Vibrio cholerae (g-Proteobacteria))
BDBM165194
PNG
(4‐Chloro‐7‐nitro‐3‐[...)
Show SMILES [O-][N+](=O)c1ccc2c(Cl)c(OCCCCCc3ccccc3)oc(=O)c2c1
Show InChI InChI=1S/C20H18ClNO5/c21-18-16-11-10-15(22(24)25)13-17(16)19(23)27-20(18)26-12-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,10-11,13H,2,5-6,9,12H2
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.60E+4n/an/an/an/a7.437



Technische Universität München



Assay Description
We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.


ACS Chem Biol 10: 2325-33 (2015)

More data for this
Ligand-Target Pair
Rhomboid protease (MmRHBDL3)


(Mus musculus (Mouse))
BDBM165194
PNG
(4‐Chloro‐7‐nitro‐3‐[...)
Show SMILES [O-][N+](=O)c1ccc2c(Cl)c(OCCCCCc3ccccc3)oc(=O)c2c1
Show InChI InChI=1S/C20H18ClNO5/c21-18-16-11-10-15(22(24)25)13-17(16)19(23)27-20(18)26-12-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,10-11,13H,2,5-6,9,12H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+4n/an/an/an/a7.437



Technische Universität München



Assay Description
We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.


ACS Chem Biol 10: 2325-33 (2015)

More data for this
Ligand-Target Pair
Rhomboid protease (HiGlpG)


(Haemophilus influenzae (g-Proteobacteria))
BDBM165194
PNG
(4‐Chloro‐7‐nitro‐3‐[...)
Show SMILES [O-][N+](=O)c1ccc2c(Cl)c(OCCCCCc3ccccc3)oc(=O)c2c1
Show InChI InChI=1S/C20H18ClNO5/c21-18-16-11-10-15(22(24)25)13-17(16)19(23)27-20(18)26-12-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,10-11,13H,2,5-6,9,12H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60E+3n/an/an/an/a7.437



Technische Universität München



Assay Description
We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.


ACS Chem Biol 10: 2325-33 (2015)

More data for this
Ligand-Target Pair
Rhomboid protease (BsYqgP)


(Bacillus subtilis (Firmicutes))
BDBM165194
PNG
(4‐Chloro‐7‐nitro‐3‐[...)
Show SMILES [O-][N+](=O)c1ccc2c(Cl)c(OCCCCCc3ccccc3)oc(=O)c2c1
Show InChI InChI=1S/C20H18ClNO5/c21-18-16-11-10-15(22(24)25)13-17(16)19(23)27-20(18)26-12-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,10-11,13H,2,5-6,9,12H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+4n/an/an/an/a7.437



Technische Universität München



Assay Description
We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.


ACS Chem Biol 10: 2325-33 (2015)

More data for this
Ligand-Target Pair
Rhomboid protease (MmRHBDL1)


(Mus musculus (Mouse))
BDBM165194
PNG
(4‐Chloro‐7‐nitro‐3‐[...)
Show SMILES [O-][N+](=O)c1ccc2c(Cl)c(OCCCCCc3ccccc3)oc(=O)c2c1
Show InChI InChI=1S/C20H18ClNO5/c21-18-16-11-10-15(22(24)25)13-17(16)19(23)27-20(18)26-12-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,10-11,13H,2,5-6,9,12H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+4n/an/an/an/a7.437



Technische Universität München



Assay Description
We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.


ACS Chem Biol 10: 2325-33 (2015)

More data for this
Ligand-Target Pair
Rhomboid protease (PsAarA)


(Providencia stuartii (Enterobacteria))
BDBM165194
PNG
(4‐Chloro‐7‐nitro‐3‐[...)
Show SMILES [O-][N+](=O)c1ccc2c(Cl)c(OCCCCCc3ccccc3)oc(=O)c2c1
Show InChI InChI=1S/C20H18ClNO5/c21-18-16-11-10-15(22(24)25)13-17(16)19(23)27-20(18)26-12-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,10-11,13H,2,5-6,9,12H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/a7.437



Technische Universität München



Assay Description
We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.


ACS Chem Biol 10: 2325-33 (2015)

More data for this
Ligand-Target Pair