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SMILES: Fc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1

InChI Key: InChIKey=OWFWWRUQOVWLAN-SAZHDORSSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50194500   
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))
BDBM50194500
PNG
(1-adamantan-1-yl-3-[4-(4-fluoro-phenoxy)-cyclohexy...)
Show SMILES Fc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wD:9.12,6.5,TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,(23.93,-16.11,;24.66,-14.74,;23.84,-13.43,;24.56,-12.07,;26.1,-12.02,;26.82,-10.66,;26,-9.35,;24.46,-9.4,;23.64,-8.1,;24.37,-6.75,;25.9,-6.67,;26.72,-7.99,;23.55,-5.45,;22,-5.51,;21.18,-4.2,;21.29,-6.87,;19.75,-6.93,;19.3,-8.5,;17.78,-8.52,;16.56,-9.49,;17.17,-7.85,;16.59,-6.47,;17.66,-5.52,;17.17,-7.05,;19.17,-5.51,;18.59,-7.79,;26.92,-13.32,;26.2,-14.68,)|
Show InChI InChI=1S/C23H31FN2O2/c24-18-1-5-20(6-2-18)28-21-7-3-19(4-8-21)25-22(27)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H2,25,26,27)/t15?,16?,17?,19-,21+,23?
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Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by kinetic fluorescent assay


Bioorg Med Chem Lett 16: 5773-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.078
BindingDB Entry DOI: 10.7270/Q22Z155K
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50194500
PNG
(1-adamantan-1-yl-3-[4-(4-fluoro-phenoxy)-cyclohexy...)
Show SMILES Fc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wD:9.12,6.5,TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,(23.93,-16.11,;24.66,-14.74,;23.84,-13.43,;24.56,-12.07,;26.1,-12.02,;26.82,-10.66,;26,-9.35,;24.46,-9.4,;23.64,-8.1,;24.37,-6.75,;25.9,-6.67,;26.72,-7.99,;23.55,-5.45,;22,-5.51,;21.18,-4.2,;21.29,-6.87,;19.75,-6.93,;19.3,-8.5,;17.78,-8.52,;16.56,-9.49,;17.17,-7.85,;16.59,-6.47,;17.66,-5.52,;17.17,-7.05,;19.17,-5.51,;18.59,-7.79,;26.92,-13.32,;26.2,-14.68,)|
Show InChI InChI=1S/C23H31FN2O2/c24-18-1-5-20(6-2-18)28-21-7-3-19(4-8-21)25-22(27)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H2,25,26,27)/t15?,16?,17?,19-,21+,23?
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Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50194500
PNG
(1-adamantan-1-yl-3-[4-(4-fluoro-phenoxy)-cyclohexy...)
Show SMILES Fc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wD:9.12,6.5,TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,(23.93,-16.11,;24.66,-14.74,;23.84,-13.43,;24.56,-12.07,;26.1,-12.02,;26.82,-10.66,;26,-9.35,;24.46,-9.4,;23.64,-8.1,;24.37,-6.75,;25.9,-6.67,;26.72,-7.99,;23.55,-5.45,;22,-5.51,;21.18,-4.2,;21.29,-6.87,;19.75,-6.93,;19.3,-8.5,;17.78,-8.52,;16.56,-9.49,;17.17,-7.85,;16.59,-6.47,;17.66,-5.52,;17.17,-7.05,;19.17,-5.51,;18.59,-7.79,;26.92,-13.32,;26.2,-14.68,)|
Show InChI InChI=1S/C23H31FN2O2/c24-18-1-5-20(6-2-18)28-21-7-3-19(4-8-21)25-22(27)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H2,25,26,27)/t15?,16?,17?,19-,21+,23?
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase


J Med Chem 50: 3825-40 (2007)


Article DOI: 10.1021/jm070270t
BindingDB Entry DOI: 10.7270/Q2TQ62BW
More data for this
Ligand-Target Pair