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BDBM50338027 (S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)-3-(4-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)propan-1-one::CHEMBL1684295

SMILES: Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1

InChI Key: InChIKey=OJCDGMHBQVTOKH-QFIPXVFZSA-N

Data: 6 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 6 hits for monomerid = 50338027   
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
Prolylcarboxypeptidase (PRCP)


(Homo sapiens (Human))
BDBM50338027
PNG
((S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)py...)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1 |r|
Show InChI InChI=1S/C26H27Cl2N7O2/c27-17-14-20-21(15-18(17)28)31-25(30-20)22-5-3-10-35(22)23(36)8-13-34-11-6-16(7-12-34)26-32-24(33-37-26)19-4-1-2-9-29-19/h1-2,4,9,14-16,22H,3,5-8,10-13H2,(H,30,31)/t22-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PrCP


Bioorg Med Chem Lett 21: 1299-305 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.090
BindingDB Entry DOI: 10.7270/Q2VX0GSS
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50338027
PNG
((S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)py...)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1 |r|
Show InChI InChI=1S/C26H27Cl2N7O2/c27-17-14-20-21(15-18(17)28)31-25(30-20)22-5-3-10-35(22)23(36)8-13-34-11-6-16(7-12-34)26-32-24(33-37-26)19-4-1-2-9-29-19/h1-2,4,9,14-16,22H,3,5-8,10-13H2,(H,30,31)/t22-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse PrCP


Bioorg Med Chem Lett 21: 1299-305 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.090
BindingDB Entry DOI: 10.7270/Q2VX0GSS
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50338027
PNG
((S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)py...)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1 |r|
Show InChI InChI=1S/C26H27Cl2N7O2/c27-17-14-20-21(15-18(17)28)31-25(30-20)22-5-3-10-35(22)23(36)8-13-34-11-6-16(7-12-34)26-32-24(33-37-26)19-4-1-2-9-29-19/h1-2,4,9,14-16,22H,3,5-8,10-13H2,(H,30,31)/t22-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate measured for 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 22: 658-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.060
BindingDB Entry DOI: 10.7270/Q2B56K50
More data for this
Ligand-Target Pair
Prolylcarboxypeptidase (PRCP)


(Homo sapiens (Human))
BDBM50338027
PNG
((S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)py...)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1 |r|
Show InChI InChI=1S/C26H27Cl2N7O2/c27-17-14-20-21(15-18(17)28)31-25(30-20)22-5-3-10-35(22)23(36)8-13-34-11-6-16(7-12-34)26-32-24(33-37-26)19-4-1-2-9-29-19/h1-2,4,9,14-16,22H,3,5-8,10-13H2,(H,30,31)/t22-/m0/s1
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PubMed
n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate measured for 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 22: 658-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.060
BindingDB Entry DOI: 10.7270/Q2B56K50
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50338027
PNG
((S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)py...)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1 |r|
Show InChI InChI=1S/C26H27Cl2N7O2/c27-17-14-20-21(15-18(17)28)31-25(30-20)22-5-3-10-35(22)23(36)8-13-34-11-6-16(7-12-34)26-32-24(33-37-26)19-4-1-2-9-29-19/h1-2,4,9,14-16,22H,3,5-8,10-13H2,(H,30,31)/t22-/m0/s1
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n/an/a 173n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PrCP-mediated conversion of Ang3 to Ang(2-7) in mouse plasma


Bioorg Med Chem Lett 22: 658-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.060
BindingDB Entry DOI: 10.7270/Q2B56K50
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50338027
PNG
((S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)py...)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1 |r|
Show InChI InChI=1S/C26H27Cl2N7O2/c27-17-14-20-21(15-18(17)28)31-25(30-20)22-5-3-10-35(22)23(36)8-13-34-11-6-16(7-12-34)26-32-24(33-37-26)19-4-1-2-9-29-19/h1-2,4,9,14-16,22H,3,5-8,10-13H2,(H,30,31)/t22-/m0/s1
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n/an/a 173n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PrCP in mouse plasma assessed as angiotensin 3 cleavage


Bioorg Med Chem Lett 21: 1299-305 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.090
BindingDB Entry DOI: 10.7270/Q2VX0GSS
More data for this
Ligand-Target Pair