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BDBM50328534 2-Amino-N-{(2S)-3-(biphenyl-4-yl)-1-[(2S)-2-(5,6-dichloro-1Hbenzimidazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl}-2-methylpropanamide::CHEMBL1259118

SMILES: CC(C)(N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1

InChI Key: InChIKey=SMYDOLKSTUVUCN-UIOOFZCWSA-N

Data: 4 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50328534   
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))
BDBM50328534
PNG
(2-Amino-N-{(2S)-3-(biphenyl-4-yl)-1-[(2S)-2-(5,6-d...)
Show SMILES CC(C)(N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Show InChI InChI=1S/C30H31Cl2N5O2/c1-30(2,33)29(39)36-25(15-18-10-12-20(13-11-18)19-7-4-3-5-8-19)28(38)37-14-6-9-26(37)27-34-23-16-21(31)22(32)17-24(23)35-27/h3-5,7-8,10-13,16-17,25-26H,6,9,14-15,33H2,1-2H3,(H,34,35)(H,36,39)/t25-,26-/m0/s1
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Article
PubMed
n/an/a 356n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PrCP by FRET in presence of 1% mouse serum albumin


J Med Chem 53: 7251-63 (2010)


Article DOI: 10.1021/jm101013m
BindingDB Entry DOI: 10.7270/Q2QV3MQR
More data for this
Ligand-Target Pair
Prolylcarboxypeptidase (PRCP)


(Homo sapiens (Human))
BDBM50328534
PNG
(2-Amino-N-{(2S)-3-(biphenyl-4-yl)-1-[(2S)-2-(5,6-d...)
Show SMILES CC(C)(N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Show InChI InChI=1S/C30H31Cl2N5O2/c1-30(2,33)29(39)36-25(15-18-10-12-20(13-11-18)19-7-4-3-5-8-19)28(38)37-14-6-9-26(37)27-34-23-16-21(31)22(32)17-24(23)35-27/h3-5,7-8,10-13,16-17,25-26H,6,9,14-15,33H2,1-2H3,(H,34,35)(H,36,39)/t25-,26-/m0/s1
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PubMed
n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PrCP by FRET


J Med Chem 53: 7251-63 (2010)


Article DOI: 10.1021/jm101013m
BindingDB Entry DOI: 10.7270/Q2QV3MQR
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50328534
PNG
(2-Amino-N-{(2S)-3-(biphenyl-4-yl)-1-[(2S)-2-(5,6-d...)
Show SMILES CC(C)(N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Show InChI InChI=1S/C30H31Cl2N5O2/c1-30(2,33)29(39)36-25(15-18-10-12-20(13-11-18)19-7-4-3-5-8-19)28(38)37-14-6-9-26(37)27-34-23-16-21(31)22(32)17-24(23)35-27/h3-5,7-8,10-13,16-17,25-26H,6,9,14-15,33H2,1-2H3,(H,34,35)(H,36,39)/t25-,26-/m0/s1
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PubMed
n/an/a 789n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse PrCP by FRET in presence of 1% mouse serum albumin


J Med Chem 53: 7251-63 (2010)


Article DOI: 10.1021/jm101013m
BindingDB Entry DOI: 10.7270/Q2QV3MQR
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50328534
PNG
(2-Amino-N-{(2S)-3-(biphenyl-4-yl)-1-[(2S)-2-(5,6-d...)
Show SMILES CC(C)(N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Show InChI InChI=1S/C30H31Cl2N5O2/c1-30(2,33)29(39)36-25(15-18-10-12-20(13-11-18)19-7-4-3-5-8-19)28(38)37-14-6-9-26(37)27-34-23-16-21(31)22(32)17-24(23)35-27/h3-5,7-8,10-13,16-17,25-26H,6,9,14-15,33H2,1-2H3,(H,34,35)(H,36,39)/t25-,26-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse PrCP by FRET


J Med Chem 53: 7251-63 (2010)


Article DOI: 10.1021/jm101013m
BindingDB Entry DOI: 10.7270/Q2QV3MQR
More data for this
Ligand-Target Pair