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BDBM50217479 CHEMBL242256::trans-1-adamantan-1-yl-3-(4-methoxycyclohexyl)urea

SMILES: CO[C@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=YCNCKRICIJRLJN-JWIVBDBNSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50217479   
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
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50217479
PNG
(CHEMBL242256 | trans-1-adamantan-1-yl-3-(4-methoxy...)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wU:2.1,wD:5.8,TLB:11:12:15.14.19:17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12,11:12:15:19.18.17,(16.68,-2.51,;15.14,-2.57,;14.42,-3.93,;15.24,-5.23,;14.52,-6.59,;12.97,-6.64,;12.16,-5.35,;12.88,-3.98,;12.26,-8.01,;10.72,-8.07,;9.9,-6.77,;10,-9.43,;8.46,-9.49,;7.45,-10.77,;6.04,-10.21,;4.55,-10.63,;5.74,-9.35,;5.73,-7.86,;7.08,-7.39,;6.04,-8.62,;8.48,-7.96,;7.07,-9.84,)|
Show InChI InChI=1S/C18H30N2O2/c1-22-16-4-2-15(3-5-16)19-17(21)20-18-9-12-6-13(10-18)8-14(7-12)11-18/h12-16H,2-11H2,1H3,(H2,19,20,21)/t12?,13?,14?,15-,16-,18?
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 2.70n/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
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50217479
PNG
(CHEMBL242256 | trans-1-adamantan-1-yl-3-(4-methoxy...)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wU:2.1,wD:5.8,TLB:11:12:15.14.19:17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12,11:12:15:19.18.17,(16.68,-2.51,;15.14,-2.57,;14.42,-3.93,;15.24,-5.23,;14.52,-6.59,;12.97,-6.64,;12.16,-5.35,;12.88,-3.98,;12.26,-8.01,;10.72,-8.07,;9.9,-6.77,;10,-9.43,;8.46,-9.49,;7.45,-10.77,;6.04,-10.21,;4.55,-10.63,;5.74,-9.35,;5.73,-7.86,;7.08,-7.39,;6.04,-8.62,;8.48,-7.96,;7.07,-9.84,)|
Show InChI InChI=1S/C18H30N2O2/c1-22-16-4-2-15(3-5-16)19-17(21)20-18-9-12-6-13(10-18)8-14(7-12)11-18/h12-16H,2-11H2,1H3,(H2,19,20,21)/t12?,13?,14?,15-,16-,18?
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 2.60n/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