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BDBM50225073 (S)-2-amino-1-(1S,5R)-2-aza-bicyclo[3.1.0]hex-2-yl-2-(3-hydroxy-5,7-dimethyl-adamantan-1-yl)-ethanone::CHEMBL391211

SMILES: CC12CC3(C)CC(O)(C1)CC(C2)(C3)[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12

InChI Key: InChIKey=QNONXPOCVUEATM-YWGLQKHTSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50225073   
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 4


(Homo sapiens (Human))
BDBM50225073
PNG
((S)-2-amino-1-(1S,5R)-2-aza-bicyclo[3.1.0]hex-2-yl...)
Show SMILES CC12CC3(C)CC(O)(C1)CC(C2)(C3)[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12 |w:1.0,3.3,TLB:12:10:8:5.3.2,13:10:8:5.3.2,THB:12:3:9.10.11:8,2:3:9:11.1.8,2:1:9:5.12.3,TEB:4:3:9:11.1.8,4:3:9.10.11:8,0:1:9:5.12.3,0:1:5:9.10.12|
Show InChI InChI=1S/C19H30N2O2/c1-16-6-17(2)8-18(7-16,11-19(23,9-16)10-17)14(20)15(22)21-4-3-12-5-13(12)21/h12-14,23H,3-11,20H2,1-2H3/t12-,13+,14-,16?,17?,18?,19?/m1/s1
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MMDB

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Article
PubMed
2.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair