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BDBM50214728 2-(adamantan-1-ylamino)-1-[(S)-2-(5-methyl-[1,3,4]oxadiazole-2-carbonyl)-pyrrolidin-1-yl]-ethanone::CHEMBL232725

SMILES: Cc1nnc(o1)C(=O)[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=LNDZIFCFUWGUBW-OCABNYQQSA-N

Data: 3 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 3 hits for monomerid = 50214728   
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
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50214728
PNG
(2-(adamantan-1-ylamino)-1-[(S)-2-(5-methyl-[1,3,4]...)
Show SMILES Cc1nnc(o1)C(=O)[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C20H28N4O3/c1-12-22-23-19(27-12)18(26)16-3-2-4-24(16)17(25)11-21-20-8-13-5-14(9-20)7-15(6-13)10-20/h13-16,21H,2-11H2,1H3/t13?,14?,15?,16-,20?/m0/s1
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PC cid
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Article
PubMed
n/an/a 2.07E+3n/an/an/an/an/an/a



LG Life Sciences, Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP2


Bioorg Med Chem Lett 17: 4167-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.046
BindingDB Entry DOI: 10.7270/Q2611006
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50214728
PNG
(2-(adamantan-1-ylamino)-1-[(S)-2-(5-methyl-[1,3,4]...)
Show SMILES Cc1nnc(o1)C(=O)[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C20H28N4O3/c1-12-22-23-19(27-12)18(26)16-3-2-4-24(16)17(25)11-21-20-8-13-5-14(9-20)7-15(6-13)10-20/h13-16,21H,2-11H2,1H3/t13?,14?,15?,16-,20?/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 808n/an/an/an/an/an/a



LG Life Sciences, Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 17: 4167-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.046
BindingDB Entry DOI: 10.7270/Q2611006
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50214728
PNG
(2-(adamantan-1-ylamino)-1-[(S)-2-(5-methyl-[1,3,4]...)
Show SMILES Cc1nnc(o1)C(=O)[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C20H28N4O3/c1-12-22-23-19(27-12)18(26)16-3-2-4-24(16)17(25)11-21-20-8-13-5-14(9-20)7-15(6-13)10-20/h13-16,21H,2-11H2,1H3/t13?,14?,15?,16-,20?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 84n/an/an/an/an/an/a



LG Life Sciences, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 4167-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.046
BindingDB Entry DOI: 10.7270/Q2611006
More data for this
Ligand-Target Pair