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SMILES: CC(NC(=O)NCCCCNC(=O)NC(C)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=BHDXDGNKIARAFU-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50012016   
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
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50012016
PNG
(CHEMBL3263294)
Show SMILES CC(NC(=O)NCCCCNC(=O)NC(C)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 |TLB:33:32:35:27.29.28,33:28:35:31.32.34,19:20:17.18.23:24,THB:21:20:17:23.22.24,21:22:17:19.20.25,19:18:21.20.25:24,31:30:27:33.32.34,31:32:27:30.35.29|
Show InChI InChI=1S/C30H50N4O2/c1-19(29-13-21-7-22(14-29)9-23(8-21)15-29)33-27(35)31-5-3-4-6-32-28(36)34-20(2)30-16-24-10-25(17-30)12-26(11-24)18-30/h19-26H,3-18H2,1-2H3,(H2,31,33,35)(H2,32,34,36)
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Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Volzhsky Polytechnic Institute (branch) Volgograd State Technical University

Curated by ChEMBL


Assay Description
Displacement of ACPU from recombinant human soluble epoxide hydrolase after 1.5 hrs by FRET assay


Bioorg Med Chem Lett 24: 2193-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.016
BindingDB Entry DOI: 10.7270/Q2PR7XHZ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50012016
PNG
(CHEMBL3263294)
Show SMILES CC(NC(=O)NCCCCNC(=O)NC(C)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 |TLB:33:32:35:27.29.28,33:28:35:31.32.34,19:20:17.18.23:24,THB:21:20:17:23.22.24,21:22:17:19.20.25,19:18:21.20.25:24,31:30:27:33.32.34,31:32:27:30.35.29|
Show InChI InChI=1S/C30H50N4O2/c1-19(29-13-21-7-22(14-29)9-23(8-21)15-29)33-27(35)31-5-3-4-6-32-28(36)34-20(2)30-16-24-10-25(17-30)12-26(11-24)18-30/h19-26H,3-18H2,1-2H3,(H2,31,33,35)(H2,32,34,36)
PDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
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AffyNet 
CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Volzhsky Polytechnic Institute (branch) Volgograd State Technical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition measured at...


Bioorg Med Chem Lett 24: 2193-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.016
BindingDB Entry DOI: 10.7270/Q2PR7XHZ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50012016
PNG
(CHEMBL3263294)
Show SMILES CC(NC(=O)NCCCCNC(=O)NC(C)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 |TLB:33:32:35:27.29.28,33:28:35:31.32.34,19:20:17.18.23:24,THB:21:20:17:23.22.24,21:22:17:19.20.25,19:18:21.20.25:24,31:30:27:33.32.34,31:32:27:30.35.29|
Show InChI InChI=1S/C30H50N4O2/c1-19(29-13-21-7-22(14-29)9-23(8-21)15-29)33-27(35)31-5-3-4-6-32-28(36)34-20(2)30-16-24-10-25(17-30)12-26(11-24)18-30/h19-26H,3-18H2,1-2H3,(H2,31,33,35)(H2,32,34,36)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Volzhsky Polytechnic Institute (branch) Volgograd State Technical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition measured at...


Bioorg Med Chem Lett 24: 2193-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.016
BindingDB Entry DOI: 10.7270/Q2PR7XHZ
More data for this
Ligand-Target Pair