BindingDB logo
myBDB logout

BDBM50276652 2-(adamantan-1-ylamino)-1-[(2R)-2-(dihydroxyboranyl)pyrrolidin-1-yl]ethan-1-one::CHEMBL460842

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

InChI Key: InChIKey=PDSFQJYJMMJUTN-IXUJDMMCSA-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 = 50276652   
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 (DPP4)


(Homo sapiens (human))
BDBM50276652
PNG
(2-(adamantan-1-ylamino)-1-[(2R)-2-(dihydroxyborany...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C16H27BN2O3/c20-15(19-3-1-2-14(19)17(21)22)10-18-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-14,18,21-22H,1-10H2/t11?,12?,13?,14-,16?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem 17: 1783-802 (2009)


Article DOI: 10.1016/j.bmc.2009.01.061
BindingDB Entry DOI: 10.7270/Q2VD70DJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50276652
PNG
(2-(adamantan-1-ylamino)-1-[(2R)-2-(dihydroxyborany...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C16H27BN2O3/c20-15(19-3-1-2-14(19)17(21)22)10-18-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-14,18,21-22H,1-10H2/t11?,12?,13?,14-,16?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP7


Bioorg Med Chem 17: 1783-802 (2009)


Article DOI: 10.1016/j.bmc.2009.01.061
BindingDB Entry DOI: 10.7270/Q2VD70DJ
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50276652
PNG
(2-(adamantan-1-ylamino)-1-[(2R)-2-(dihydroxyborany...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C16H27BN2O3/c20-15(19-3-1-2-14(19)17(21)22)10-18-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-14,18,21-22H,1-10H2/t11?,12?,13?,14-,16?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of FAP


Bioorg Med Chem 17: 1783-802 (2009)


Article DOI: 10.1016/j.bmc.2009.01.061
BindingDB Entry DOI: 10.7270/Q2VD70DJ
More data for this
Ligand-Target Pair