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BDBM271317 US10059720, Example 132::US10975091, Example 132

SMILES: CC(C)C[C@H](N)[C@](O)(Cc1nccc2sc(CCC3CC3)cc12)C(O)=O

InChI Key: InChIKey=OIDAMQVNDWBIMI-AZUAARDMSA-N

Data: 4 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 4 hits for monomerid = 271317   
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
Leucyl-cystinyl aminopeptidase


(Rattus norvegicus)
BDBM271317
PNG
(US10059720, Example 132 | US10975091, Example 132)
Show SMILES CC(C)C[C@H](N)[C@](O)(Cc1nccc2sc(CCC3CC3)cc12)C(O)=O |r|
Show InChI InChI=1S/C20H28N2O3S/c1-12(2)9-18(21)20(25,19(23)24)11-16-15-10-14(6-5-13-3-4-13)26-17(15)7-8-22-16/h7-8,10,12-13,18,25H,3-6,9,11,21H2,1-2H3,(H,23,24)/t18-,20+/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/an/an/an/an/an/a



Astellas Pharma Inc.; KOTOBUKI PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Rat epididymal fat pads were homogenized and subjected to ultracentrifugation at 100,000×g for 30 minutes to obtain microsomes containing IRAP. The m...


US Patent US10059720 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13Q5
More data for this
Ligand-Target Pair
Aminopeptidase (P-LAP)


(Homo sapiens (Human))
BDBM271317
PNG
(US10059720, Example 132 | US10975091, Example 132)
Show SMILES CC(C)C[C@H](N)[C@](O)(Cc1nccc2sc(CCC3CC3)cc12)C(O)=O |r|
Show InChI InChI=1S/C20H28N2O3S/c1-12(2)9-18(21)20(25,19(23)24)11-16-15-10-14(6-5-13-3-4-13)26-17(15)7-8-22-16/h7-8,10,12-13,18,25H,3-6,9,11,21H2,1-2H3,(H,23,24)/t18-,20+/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.20n/an/an/an/an/an/a



Astellas Pharma Inc.; KOTOBUKI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
hP-LAP: HEK293 cells forced to transiently express hP-LAP were prepared by lipofection, homogenized, and then subjected to ultracentrifugation at 100...


US Patent US10975091 (2021)

More data for this
Ligand-Target Pair
Cystinyl aminopeptidase


(Rattus norvegicus)
BDBM271317
PNG
(US10059720, Example 132 | US10975091, Example 132)
Show SMILES CC(C)C[C@H](N)[C@](O)(Cc1nccc2sc(CCC3CC3)cc12)C(O)=O |r|
Show InChI InChI=1S/C20H28N2O3S/c1-12(2)9-18(21)20(25,19(23)24)11-16-15-10-14(6-5-13-3-4-13)26-17(15)7-8-22-16/h7-8,10,12-13,18,25H,3-6,9,11,21H2,1-2H3,(H,23,24)/t18-,20+/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/an/an/an/an/an/a



Astellas Pharma Inc.; KOTOBUKI PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
IRAP: Rat epididymal fat pads were homogenized and subjected to ultracentrifugation at 100,000×g for 30 minutes to obtain microsomes containing IRAP....


US Patent US10975091 (2021)

More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM271317
PNG
(US10059720, Example 132 | US10975091, Example 132)
Show SMILES CC(C)C[C@H](N)[C@](O)(Cc1nccc2sc(CCC3CC3)cc12)C(O)=O |r|
Show InChI InChI=1S/C20H28N2O3S/c1-12(2)9-18(21)20(25,19(23)24)11-16-15-10-14(6-5-13-3-4-13)26-17(15)7-8-22-16/h7-8,10,12-13,18,25H,3-6,9,11,21H2,1-2H3,(H,23,24)/t18-,20+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.20n/an/an/an/an/an/a



Astellas Pharma Inc.; KOTOBUKI PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
HEK293 cells forced to transiently express hP-LAP (J Biol Chem 1996; 271: 56-61) were prepared by lipofection, homogenized, and then subjected to ult...


US Patent US10059720 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13Q5
More data for this
Ligand-Target Pair