Ki Summary

Reaction Details

Report a problem with these data

Target

Bifunctional epoxide hydrolase 2

Ligand

BDBM50217460

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_818494 (CHEMBL2032586)

IC50

1.1±n/a nM

Citation

Scherman, MS; North, EJ; Jones, V; Hess, TN; Grzegorzewicz, AE; Kasagami, T; Kim, IH; Merzlikin, O; Lenaerts, AJ; Lee, RE; Jackson, M; Morisseau, C; McNeil, MR Screening a library of 1600 adamantyl ureas for anti-Mycobacterium tuberculosis activity in vitro and for better physical chemical properties for bioavailability. Bioorg Med Chem20:3255-62 (2012) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Bifunctional epoxide hydrolase 2

Name:

Bifunctional epoxide hydrolase 2

Synonyms:

Type:

Enzyme

Mol. Mass.:

62613.07

Organism:

Homo sapiens (Human)

Description:

P34913

Residue:

555

Sequence:

MTLRAAVFDLDGVLALPAVFGVLGRTEEALALPRGLLNDAFQKGGPEGATTRLMKGEITL
SQWIPLMEENCRKCSETAKVCLPKNFSIKEIFDKAISARKINRPMLQAALMLRKKGFTTA
ILTNTWLDDRAERDGLAQLMCELKMHFDFLIESCQVGMVKPEPQIYKFLLDTLKASPSEV
VFLDDIGANLKPARDLGMVTILVQDTDTALKELEKVTGIQLLNTPAPLPTSCNPSDMSHG
YVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESS
APPEIEEYCMEVLCKEMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYPERVRAVASLNT
PFIPANPNMSPLESIKANPVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMH
KVCEAGGLFVNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACKSL
GRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMDKPTEVNQILIK
WLDSDARNPPVVSKM

BDBM50217460

n/a

Name

BDBM50217460

Synonyms:

CHEMBL243125 | trans-1-adamantan-1-yl-3-[4-(4-bromophenoxy)cyclohexyl]-urea

Type

Small organic molecule

Emp. Form.

C23H31BrN2O2

Mol. Mass.

447.408

SMILES

Brc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:6.5,wD:9.12,TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21,(34.33,3.61,;32.79,3.55,;32.06,2.19,;30.53,2.13,;29.71,3.44,;28.17,3.38,;27.45,2.02,;28.27,.71,;27.55,-.64,;26,-.7,;25.18,.6,;25.91,1.96,;25.29,-2.06,;23.75,-2.12,;22.92,-.82,;23.03,-3.49,;21.49,-3.55,;20.48,-4.82,;19.07,-4.26,;17.57,-4.68,;18.77,-3.41,;18.76,-1.92,;20.1,-1.44,;19.06,-2.67,;21.5,-2.02,;20.09,-3.89,;30.42,4.8,;31.96,4.86,)|

Structure