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BDBM271188 US10059720, Example 4::US10975091, Example 4

SMILES: CC(C)C[C@H](N)[C@](O)(Cc1cc(OC2CCC3(CC3)CC2)ccn1)C(O)=O

InChI Key: InChIKey=MTZAWZHBTQDAFX-GHTZIAJQSA-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 = 271188   
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)
BDBM271188
PNG
(US10059720, Example 4 | US10975091, Example 4)
Show SMILES CC(C)C[C@H](N)[C@](O)(Cc1cc(OC2CCC3(CC3)CC2)ccn1)C(O)=O |r|
Show InChI InChI=1S/C21H32N2O4/c1-14(2)11-18(22)21(26,19(24)25)13-15-12-17(5-10-23-15)27-16-3-6-20(7-4-16)8-9-20/h5,10,12,14,16,18,26H,3-4,6-9,11,13,22H2,1-2H3,(H,24,25)/t18-,21+/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/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))
BDBM271188
PNG
(US10059720, Example 4 | US10975091, Example 4)
Show SMILES CC(C)C[C@H](N)[C@](O)(Cc1cc(OC2CCC3(CC3)CC2)ccn1)C(O)=O |r|
Show InChI InChI=1S/C21H32N2O4/c1-14(2)11-18(22)21(26,19(24)25)13-15-12-17(5-10-23-15)27-16-3-6-20(7-4-16)8-9-20/h5,10,12,14,16,18,26H,3-4,6-9,11,13,22H2,1-2H3,(H,24,25)/t18-,21+/m0/s1
PDB

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/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)
BDBM271188
PNG
(US10059720, Example 4 | US10975091, Example 4)
Show SMILES CC(C)C[C@H](N)[C@](O)(Cc1cc(OC2CCC3(CC3)CC2)ccn1)C(O)=O |r|
Show InChI InChI=1S/C21H32N2O4/c1-14(2)11-18(22)21(26,19(24)25)13-15-12-17(5-10-23-15)27-16-3-6-20(7-4-16)8-9-20/h5,10,12,14,16,18,26H,3-4,6-9,11,13,22H2,1-2H3,(H,24,25)/t18-,21+/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/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))
BDBM271188
PNG
(US10059720, Example 4 | US10975091, Example 4)
Show SMILES CC(C)C[C@H](N)[C@](O)(Cc1cc(OC2CCC3(CC3)CC2)ccn1)C(O)=O |r|
Show InChI InChI=1S/C21H32N2O4/c1-14(2)11-18(22)21(26,19(24)25)13-15-12-17(5-10-23-15)27-16-3-6-20(7-4-16)8-9-20/h5,10,12,14,16,18,26H,3-4,6-9,11,13,22H2,1-2H3,(H,24,25)/t18-,21+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/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