BindingDB logo
myBDB logout

BDBM50217462 CHEMBL397693::trans-1-adamantan-1-yl-3-[4-(2,6-difluoro-4-isopropoxybenzyloxy)cyclohexyl]urea

SMILES: CC(C)Oc1cc(F)c(CO[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)c(F)c1

InChI Key: InChIKey=AHBBUWVOFCIJOB-GIYPUSOKSA-N

Data: 2 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 2 hits for monomerid = 50217462   
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))
BDBM50217462
PNG
(CHEMBL397693 | trans-1-adamantan-1-yl-3-[4-(2,6-di...)
Show SMILES CC(C)Oc1cc(F)c(CO[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)c(F)c1
Show InChI InChI=1S/C27H38F2N2O3/c1-16(2)34-22-10-24(28)23(25(29)11-22)15-33-21-5-3-20(4-6-21)30-26(32)31-27-12-17-7-18(13-27)9-19(8-17)14-27/h10-11,16-21H,3-9,12-15H2,1-2H3,(H2,30,31,32)/t17?,18?,19?,20-,21-,27?
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.80n/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))
BDBM50217462
PNG
(CHEMBL397693 | trans-1-adamantan-1-yl-3-[4-(2,6-di...)
Show SMILES CC(C)Oc1cc(F)c(CO[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)c(F)c1
Show InChI InChI=1S/C27H38F2N2O3/c1-16(2)34-22-10-24(28)23(25(29)11-22)15-33-21-5-3-20(4-6-21)30-26(32)31-27-12-17-7-18(13-27)9-19(8-17)14-27/h10-11,16-21H,3-9,12-15H2,1-2H3,(H2,30,31,32)/t17?,18?,19?,20-,21-,27?
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.5n/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