Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50043588 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443348
(CHEMBL3086040 | US8669252, 12)Show SMILES Fc1cc(ccn1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H30BrClFN3O2/c30-22-5-1-19(2-6-22)26-18-24(35-13-15-37-16-14-35)9-10-25(26)29(36)34-28(20-3-7-23(31)8-4-20)21-11-12-33-27(32)17-21/h1-8,11-12,17,24-26,28H,9-10,13-16,18H2,(H,34,36)/t24-,25-,26+,28?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0790 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443351
(CHEMBL3086037 | US8669252, 15)Show SMILES Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccncc1 |r| Show InChI InChI=1S/C29H31BrClN3O2/c30-23-5-1-20(2-6-23)27-19-25(34-15-17-36-18-16-34)9-10-26(27)29(35)33-28(22-11-13-32-14-12-22)21-3-7-24(31)8-4-21/h1-8,11-14,25-28H,9-10,15-19H2,(H,33,35)/t25-,26-,27+,28?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | BDBM50443348
(CHEMBL3086040 | US8669252, 12)Show SMILES Fc1cc(ccn1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H30BrClFN3O2/c30-22-5-1-19(2-6-22)26-18-24(35-13-15-37-16-14-35)9-10-25(26)29(36)34-28(20-3-7-23(31)8-4-20)21-11-12-33-27(32)17-21/h1-8,11-12,17,24-26,28H,9-10,13-16,18H2,(H,34,36)/t24-,25-,26+,28?/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443352
(CHEMBL3085780)Show SMILES Fc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccncc1 |r| Show InChI InChI=1S/C29H31BrFN3O2/c30-23-5-1-20(2-6-23)27-19-25(34-15-17-36-18-16-34)9-10-26(27)29(35)33-28(22-11-13-32-14-12-22)21-3-7-24(31)8-4-21/h1-8,11-14,25-28H,9-10,15-19H2,(H,33,35)/t25-,26-,27+,28?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443353
(CHEMBL3086036 | US8669252, 14)Show SMILES Fc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H31BrF2N2O2/c31-23-7-1-20(2-8-23)28-19-26(35-15-17-37-18-16-35)13-14-27(28)30(36)34-29(21-3-9-24(32)10-4-21)22-5-11-25(33)12-6-22/h1-12,26-29H,13-19H2,(H,34,36)/t26-,27-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | BDBM50443351
(CHEMBL3086037 | US8669252, 15)Show SMILES Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccncc1 |r| Show InChI InChI=1S/C29H31BrClN3O2/c30-23-5-1-20(2-6-23)27-19-25(34-15-17-36-18-16-34)9-10-26(27)29(35)33-28(22-11-13-32-14-12-22)21-3-7-24(31)8-4-21/h1-8,11-14,25-28H,9-10,15-19H2,(H,33,35)/t25-,26-,27+,28?/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443347
(CHEMBL3086041 | US8669252, 28)Show SMILES Fc1ccc(nc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H30BrClFN3O2/c30-21-5-1-19(2-6-21)26-17-24(35-13-15-37-16-14-35)10-11-25(26)29(36)34-28(20-3-7-22(31)8-4-20)27-12-9-23(32)18-33-27/h1-9,12,18,24-26,28H,10-11,13-17H2,(H,34,36)/t24-,25-,26+,28?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443358
(CHEMBL3086029)Show SMILES Brc1ccc(cc1)[C@@H]1C[C@@H](CC[C@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)N1CCOCC1 |r| Show InChI InChI=1S/C32H35BrN2O2/c33-27-13-11-24(12-14-27)30-21-28(34-17-19-37-20-18-34)15-16-29(30)31(36)35-22-32(23-35,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,28-30H,15-23H2/t28-,29-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | BDBM50443343
(CHEMBL3086028 | US8669252, 56)Show SMILES CCN(CC)CC(=O)N[C@@H]1CC[C@H]([C@@H](C1)c1ccc(Br)cc1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C32H36BrF2N3O2/c1-3-38(4-2)20-30(39)36-27-17-18-28(29(19-27)21-5-11-24(33)12-6-21)32(40)37-31(22-7-13-25(34)14-8-22)23-9-15-26(35)16-10-23/h5-16,27-29,31H,3-4,17-20H2,1-2H3,(H,36,39)(H,37,40)/t27-,28-,29+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | BDBM50443344
(CHEMBL3086045)Show SMILES Cc1ccccc1[C@H]1C[C@H](CC[C@@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C36H37ClN2O/c1-26-10-8-9-15-32(26)34-22-31(38-23-27-16-18-30(37)19-17-27)20-21-33(34)35(40)39-24-36(25-39,28-11-4-2-5-12-28)29-13-6-3-7-14-29/h2-19,31,33-34,38H,20-25H2,1H3/t31-,33-,34+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | BDBM50443353
(CHEMBL3086036 | US8669252, 14)Show SMILES Fc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H31BrF2N2O2/c31-23-7-1-20(2-8-23)28-19-26(35-15-17-37-18-16-35)13-14-27(28)30(36)34-29(21-3-9-24(32)10-4-21)22-5-11-25(33)12-6-22/h1-12,26-29H,13-19H2,(H,34,36)/t26-,27-,28+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | BDBM50443347
(CHEMBL3086041 | US8669252, 28)Show SMILES Fc1ccc(nc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H30BrClFN3O2/c30-21-5-1-19(2-6-21)26-17-24(35-13-15-37-16-14-35)10-11-25(26)29(36)34-28(20-3-7-22(31)8-4-20)27-12-9-23(32)18-33-27/h1-9,12,18,24-26,28H,10-11,13-17H2,(H,34,36)/t24-,25-,26+,28?/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443350
(CHEMBL3086038 | US8669252, 35)Show SMILES Cc1cc(ccn1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C30H33BrClN3O2/c1-20-18-23(12-13-33-20)29(22-4-8-25(32)9-5-22)34-30(36)27-11-10-26(35-14-16-37-17-15-35)19-28(27)21-2-6-24(31)7-3-21/h2-9,12-13,18,26-29H,10-11,14-17,19H2,1H3,(H,34,36)/t26-,27-,28+,29?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443359
(CHEMBL3086048)Show SMILES Brc1ccc(cc1)[C@@H]1C[C@@H](CC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)N1CCOCC1 |r| Show InChI InChI=1S/C30H33BrN2O2/c31-25-13-11-22(12-14-25)28-21-26(33-17-19-35-20-18-33)15-16-27(28)30(34)32-29(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,26-29H,15-21H2,(H,32,34)/t26-,27-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443354
(CHEMBL3086035 | US8669252, 23)Show SMILES Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C30H31BrCl2N2O2/c31-23-7-1-20(2-8-23)28-19-26(35-15-17-37-18-16-35)13-14-27(28)30(36)34-29(21-3-9-24(32)10-4-21)22-5-11-25(33)12-6-22/h1-12,26-29H,13-19H2,(H,34,36)/t26-,27-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443349
(CHEMBL3086039 | US8669252, 19)Show SMILES Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccncc1Cl |r| Show InChI InChI=1S/C29H30BrCl2N3O2/c30-21-5-1-19(2-6-21)26-17-23(35-13-15-37-16-14-35)9-10-24(26)29(36)34-28(20-3-7-22(31)8-4-20)25-11-12-33-18-27(25)32/h1-8,11-12,18,23-24,26,28H,9-10,13-17H2,(H,34,36)/t23-,24-,26+,28?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443355
(CHEMBL3086034)Show SMILES C[C@H](NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H30BrClN2O2/c1-17(18-4-8-21(27)9-5-18)28-25(30)23-11-10-22(29-12-14-31-15-13-29)16-24(23)19-2-6-20(26)7-3-19/h2-9,17,22-24H,10-16H2,1H3,(H,28,30)/t17-,22+,23+,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | BDBM50443352
(CHEMBL3085780)Show SMILES Fc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccncc1 |r| Show InChI InChI=1S/C29H31BrFN3O2/c30-23-5-1-20(2-6-23)27-19-25(34-15-17-36-18-16-34)9-10-26(27)29(35)33-28(22-11-13-32-14-12-22)21-3-7-24(31)8-4-21/h1-8,11-14,25-28H,9-10,15-19H2,(H,33,35)/t25-,26-,27+,28?/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | BDBM50443354
(CHEMBL3086035 | US8669252, 23)Show SMILES Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C30H31BrCl2N2O2/c31-23-7-1-20(2-8-23)28-19-26(35-15-17-37-18-16-35)13-14-27(28)30(36)34-29(21-3-9-24(32)10-4-21)22-5-11-25(33)12-6-22/h1-12,26-29H,13-19H2,(H,34,36)/t26-,27-,28+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443346
(CHEMBL3086042)Show SMILES Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1cnccn1 |r| Show InChI InChI=1S/C28H30BrClN4O2/c29-21-5-1-19(2-6-21)25-17-23(34-13-15-36-16-14-34)9-10-24(25)28(35)33-27(26-18-31-11-12-32-26)20-3-7-22(30)8-4-20/h1-8,11-12,18,23-25,27H,9-10,13-17H2,(H,33,35)/t23-,24-,25+,27?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | BDBM50443358
(CHEMBL3086029)Show SMILES Brc1ccc(cc1)[C@@H]1C[C@@H](CC[C@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)N1CCOCC1 |r| Show InChI InChI=1S/C32H35BrN2O2/c33-27-13-11-24(12-14-27)30-21-28(34-17-19-37-20-18-34)15-16-29(30)31(36)35-22-32(23-35,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,28-30H,15-23H2/t28-,29-,30+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | BDBM50443349
(CHEMBL3086039 | US8669252, 19)Show SMILES Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccncc1Cl |r| Show InChI InChI=1S/C29H30BrCl2N3O2/c30-21-5-1-19(2-6-21)26-17-23(35-13-15-37-16-14-35)9-10-24(26)29(36)34-28(20-3-7-22(31)8-4-20)25-11-12-33-18-27(25)32/h1-8,11-12,18,23-24,26,28H,9-10,13-17H2,(H,34,36)/t23-,24-,26+,28?/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | BDBM50443350
(CHEMBL3086038 | US8669252, 35)Show SMILES Cc1cc(ccn1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C30H33BrClN3O2/c1-20-18-23(12-13-33-20)29(22-4-8-25(32)9-5-22)34-30(36)27-11-10-26(35-14-16-37-17-15-35)19-28(27)21-2-6-24(31)7-3-21/h2-9,12-13,18,26-29H,10-11,14-17,19H2,1H3,(H,34,36)/t26-,27-,28+,29?/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | BDBM50443359
(CHEMBL3086048)Show SMILES Brc1ccc(cc1)[C@@H]1C[C@@H](CC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)N1CCOCC1 |r| Show InChI InChI=1S/C30H33BrN2O2/c31-25-13-11-22(12-14-25)28-21-26(33-17-19-35-20-18-33)15-16-27(28)30(34)32-29(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,26-29H,15-21H2,(H,32,34)/t26-,27-,28+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443356
(CHEMBL3086032)Show SMILES C[C@H](NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H30BrFN2O2/c1-17(18-4-8-21(27)9-5-18)28-25(30)23-11-10-22(29-12-14-31-15-13-29)16-24(23)19-2-6-20(26)7-3-19/h2-9,17,22-24H,10-16H2,1H3,(H,28,30)/t17-,22+,23+,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | BDBM50443346
(CHEMBL3086042)Show SMILES Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1cnccn1 |r| Show InChI InChI=1S/C28H30BrClN4O2/c29-21-5-1-19(2-6-21)25-17-23(34-13-15-36-16-14-34)9-10-24(25)28(35)33-27(26-18-31-11-12-32-26)20-3-7-22(30)8-4-20/h1-8,11-12,18,23-25,27H,9-10,13-17H2,(H,33,35)/t23-,24-,25+,27?/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443343
(CHEMBL3086028 | US8669252, 56)Show SMILES CCN(CC)CC(=O)N[C@@H]1CC[C@H]([C@@H](C1)c1ccc(Br)cc1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C32H36BrF2N3O2/c1-3-38(4-2)20-30(39)36-27-17-18-28(29(19-27)21-5-11-24(33)12-6-21)32(40)37-31(22-7-13-25(34)14-8-22)23-9-15-26(35)16-10-23/h5-16,27-29,31H,3-4,17-20H2,1-2H3,(H,36,39)(H,37,40)/t27-,28-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443357
(CHEMBL3086030)Show SMILES CN(C(c1ccccc1)c1ccccc1)C(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1 |r| Show InChI InChI=1S/C31H35BrN2O2/c1-33(30(24-8-4-2-5-9-24)25-10-6-3-7-11-25)31(35)28-17-16-27(34-18-20-36-21-19-34)22-29(28)23-12-14-26(32)15-13-23/h2-15,27-30H,16-22H2,1H3/t27-,28-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | BDBM50443361
(CHEMBL3086046)Show SMILES Cc1ccccc1[C@H]1C[C@@H](CC[C@@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C36H37ClN2O/c1-26-10-8-9-15-32(26)34-22-31(38-23-27-16-18-30(37)19-17-27)20-21-33(34)35(40)39-24-36(25-39,28-11-4-2-5-12-28)29-13-6-3-7-14-29/h2-19,31,33-34,38H,20-25H2,1H3/t31-,33+,34-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443360
(CHEMBL3086047)Show SMILES O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CC[C@H](C[C@H]1c1ccccc1)N1CCOCC1 |r| Show InChI InChI=1S/C30H34N2O2/c33-30(31-29(24-12-6-2-7-13-24)25-14-8-3-9-15-25)27-17-16-26(32-18-20-34-21-19-32)22-28(27)23-10-4-1-5-11-23/h1-15,26-29H,16-22H2,(H,31,33)/t26-,27-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443345
(CHEMBL3086043)Show SMILES Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ncccn1 |r| Show InChI InChI=1S/C28H30BrClN4O2/c29-21-6-2-19(3-7-21)25-18-23(34-14-16-36-17-15-34)10-11-24(25)28(35)33-26(27-31-12-1-13-32-27)20-4-8-22(30)9-5-20/h1-9,12-13,23-26H,10-11,14-18H2,(H,33,35)/t23-,24-,25+,26?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | BDBM50443355
(CHEMBL3086034)Show SMILES C[C@H](NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H30BrClN2O2/c1-17(18-4-8-21(27)9-5-18)28-25(30)23-11-10-22(29-12-14-31-15-13-29)16-24(23)19-2-6-20(26)7-3-19/h2-9,17,22-24H,10-16H2,1H3,(H,28,30)/t17-,22+,23+,24-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | BDBM50443357
(CHEMBL3086030)Show SMILES CN(C(c1ccccc1)c1ccccc1)C(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1 |r| Show InChI InChI=1S/C31H35BrN2O2/c1-33(30(24-8-4-2-5-9-24)25-10-6-3-7-11-25)31(35)28-17-16-27(34-18-20-36-21-19-34)22-29(28)23-12-14-26(32)15-13-23/h2-15,27-30H,16-22H2,1H3/t27-,28-,29+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | BDBM50443360
(CHEMBL3086047)Show SMILES O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CC[C@H](C[C@H]1c1ccccc1)N1CCOCC1 |r| Show InChI InChI=1S/C30H34N2O2/c33-30(31-29(24-12-6-2-7-13-24)25-14-8-3-9-15-25)27-17-16-26(32-18-20-34-21-19-32)22-28(27)23-10-4-1-5-11-23/h1-15,26-29H,16-22H2,(H,31,33)/t26-,27-,28+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443344
(CHEMBL3086045)Show SMILES Cc1ccccc1[C@H]1C[C@H](CC[C@@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C36H37ClN2O/c1-26-10-8-9-15-32(26)34-22-31(38-23-27-16-18-30(37)19-17-27)20-21-33(34)35(40)39-24-36(25-39,28-11-4-2-5-12-28)29-13-6-3-7-14-29/h2-19,31,33-34,38H,20-25H2,1H3/t31-,33-,34+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 192 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443344
(CHEMBL3086045)Show SMILES Cc1ccccc1[C@H]1C[C@H](CC[C@@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C36H37ClN2O/c1-26-10-8-9-15-32(26)34-22-31(38-23-27-16-18-30(37)19-17-27)20-21-33(34)35(40)39-24-36(25-39,28-11-4-2-5-12-28)29-13-6-3-7-14-29/h2-19,31,33-34,38H,20-25H2,1H3/t31-,33-,34+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 192 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443364
(CHEMBL3086044)Show SMILES Cc1ccccc1C1CC(CCC1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C36H37ClN2O/c1-26-10-8-9-15-32(26)34-22-31(38-23-27-16-18-30(37)19-17-27)20-21-33(34)35(40)39-24-36(25-39,28-11-4-2-5-12-28)29-13-6-3-7-14-29/h2-19,31,33-34,38H,20-25H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 198 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | BDBM50443345
(CHEMBL3086043)Show SMILES Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ncccn1 |r| Show InChI InChI=1S/C28H30BrClN4O2/c29-21-6-2-19(3-7-21)25-18-23(34-14-16-36-17-15-34)10-11-24(25)28(35)33-26(27-31-12-1-13-32-27)20-4-8-22(30)9-5-20/h1-9,12-13,23-26H,10-11,14-18H2,(H,33,35)/t23-,24-,25+,26?/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | BDBM50443356
(CHEMBL3086032)Show SMILES C[C@H](NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H30BrFN2O2/c1-17(18-4-8-21(27)9-5-18)28-25(30)23-11-10-22(29-12-14-31-15-13-29)16-24(23)19-2-6-20(26)7-3-19/h2-9,17,22-24H,10-16H2,1H3,(H,28,30)/t17-,22+,23+,24-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443363
(CHEMBL3086031)Show SMILES CC(C)(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccccc1 |r| Show InChI InChI=1S/C26H33BrN2O2/c1-26(2,20-6-4-3-5-7-20)28-25(30)23-13-12-22(29-14-16-31-17-15-29)18-24(23)19-8-10-21(27)11-9-19/h3-11,22-24H,12-18H2,1-2H3,(H,28,30)/t22-,23-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443362
(CHEMBL3086033)Show SMILES C[C@@H](NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H30BrFN2O2/c1-17(18-4-8-21(27)9-5-18)28-25(30)23-11-10-22(29-12-14-31-15-13-29)16-24(23)19-2-6-20(26)7-3-19/h2-9,17,22-24H,10-16H2,1H3,(H,28,30)/t17-,22-,23-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443361
(CHEMBL3086046)Show SMILES Cc1ccccc1[C@H]1C[C@@H](CC[C@@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C36H37ClN2O/c1-26-10-8-9-15-32(26)34-22-31(38-23-27-16-18-30(37)19-17-27)20-21-33(34)35(40)39-24-36(25-39,28-11-4-2-5-12-28)29-13-6-3-7-14-29/h2-19,31,33-34,38H,20-25H2,1H3/t31-,33+,34-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 642 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50443361
(CHEMBL3086046)Show SMILES Cc1ccccc1[C@H]1C[C@@H](CC[C@@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C36H37ClN2O/c1-26-10-8-9-15-32(26)34-22-31(38-23-27-16-18-30(37)19-17-27)20-21-33(34)35(40)39-24-36(25-39,28-11-4-2-5-12-28)29-13-6-3-7-14-29/h2-19,31,33-34,38H,20-25H2,1H3/t31-,33+,34-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 642 | n/a | n/a | n/a | n/a | n/a | n/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 fluorescence assay |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443344
(CHEMBL3086045)Show SMILES Cc1ccccc1[C@H]1C[C@H](CC[C@@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C36H37ClN2O/c1-26-10-8-9-15-32(26)34-22-31(38-23-27-16-18-30(37)19-17-27)20-21-33(34)35(40)39-24-36(25-39,28-11-4-2-5-12-28)29-13-6-3-7-14-29/h2-19,31,33-34,38H,20-25H2,1H3/t31-,33-,34+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50443344
(CHEMBL3086045)Show SMILES Cc1ccccc1[C@H]1C[C@H](CC[C@@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C36H37ClN2O/c1-26-10-8-9-15-32(26)34-22-31(38-23-27-16-18-30(37)19-17-27)20-21-33(34)35(40)39-24-36(25-39,28-11-4-2-5-12-28)29-13-6-3-7-14-29/h2-19,31,33-34,38H,20-25H2,1H3/t31-,33-,34+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50443344
(CHEMBL3086045)Show SMILES Cc1ccccc1[C@H]1C[C@H](CC[C@@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C36H37ClN2O/c1-26-10-8-9-15-32(26)34-22-31(38-23-27-16-18-30(37)19-17-27)20-21-33(34)35(40)39-24-36(25-39,28-11-4-2-5-12-28)29-13-6-3-7-14-29/h2-19,31,33-34,38H,20-25H2,1H3/t31-,33-,34+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human PXR |
Bioorg Med Chem Lett 23: 6228-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.094
BindingDB Entry DOI: 10.7270/Q2DZ09Q4 |
More data for this
Ligand-Target Pair | |
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