Found 453 hits of ic50 for UniProtKB: A0A024R5L0 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM235953
(US9365539, 33)Show SMILES COC(=O)C(CN1CCC(CC1)c1cc(nn1-c1ncccn1)-c1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C28H28FN5O2/c1-36-27(35)24(20-6-3-2-4-7-20)19-33-16-12-22(13-17-33)26-18-25(21-8-10-23(29)11-9-21)32-34(26)28-30-14-5-15-31-28/h2-11,14-15,18,22,24H,12-13,16-17,19H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0350 | n/a | n/a | n/a | n/a | 5.5 | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
The assay was run in a 384-well microliter plate at 37° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or ... |
US Patent US9365539 (2016)
BindingDB Entry DOI: 10.7270/Q22B8WXK |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM235950
(US9365539, 1)Show SMILES Clc1ccc(cc1)-c1cc(C2CCN(CCc3ccccc3)CC2)n(n1)-c1ncccn1 Show InChI InChI=1S/C26H26ClN5/c27-23-9-7-21(8-10-23)24-19-25(32(30-24)26-28-14-4-15-29-26)22-12-17-31(18-13-22)16-11-20-5-2-1-3-6-20/h1-10,14-15,19,22H,11-13,16-18H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0510 | n/a | n/a | n/a | n/a | 5.5 | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
The assay was run in a 384-well microliter plate at 37° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or ... |
US Patent US9365539 (2016)
BindingDB Entry DOI: 10.7270/Q22B8WXK |
More data for this
Ligand-Target Pair | |
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)) | 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
| US Patent
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
The potency of compounds of formula I against PrCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PrCP inhibit... |
US Patent US8669252 (2014)
BindingDB Entry DOI: 10.7270/Q2J9652X |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50364386
(CHEMBL1950440)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)N)[C@@H](C)c1ccc(OCC(F)(F)F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r| Show InChI InChI=1S/C25H28Cl2F3N5O3/c1-12(14-5-7-15(8-6-14)38-11-25(28,29)30)20(35-23(37)24(3,4)31)22(36)32-13(2)21-33-18-9-16(26)17(27)10-19(18)34-21/h5-10,12-13,20H,11,31H2,1-4H3,(H,32,36)(H,33,34)(H,35,37)/t12-,13-,20-/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 | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate for 30 mins by continuous fluorimetric assay |
Bioorg Med Chem Lett 22: 1774-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.064
BindingDB Entry DOI: 10.7270/Q27H1K28 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM119411
(US8669252, 43)Show SMILES Fc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccnc(F)c1 |r| Show InChI InChI=1S/C29H30BrF2N3O2/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
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
The potency of compounds of formula I against PrCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PrCP inhibit... |
US Patent US8669252 (2014)
BindingDB Entry DOI: 10.7270/Q2J9652X |
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
(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
| US Patent
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
The potency of compounds of formula I against PrCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PrCP inhibit... |
US Patent US8669252 (2014)
BindingDB Entry DOI: 10.7270/Q2J9652X |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50382913
(CHEMBL2023210)Show SMILES CC(C)(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1ccnn1-c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C29H32ClF3N4O/c1-29(2,3)36-16-22(21-6-4-19(31)14-26(21)33)23(17-36)28(38)35-12-9-18(10-13-35)27-8-11-34-37(27)20-5-7-25(32)24(30)15-20/h4-8,11,14-15,18,22-23H,9-10,12-13,16-17H2,1-3H3/t22-,23+/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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 2811-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.075
BindingDB Entry DOI: 10.7270/Q2T154PX |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50382904
(CHEMBL2022793)Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C30H34Cl2F2N4O/c1-18-13-28(38(35-18)21-6-8-25(31)26(32)15-21)19-9-11-36(12-10-19)29(39)24-17-37(30(2,3)4)16-23(24)22-7-5-20(33)14-27(22)34/h5-8,13-15,19,23-24H,9-12,16-17H2,1-4H3/t23-,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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 2811-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.075
BindingDB Entry DOI: 10.7270/Q2T154PX |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50382899
(CHEMBL2022787)Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(C)c(Cl)c1 |r| Show InChI InChI=1S/C31H37ClF2N4O/c1-19-6-8-23(16-27(19)32)38-29(14-20(2)35-38)21-10-12-36(13-11-21)30(39)26-18-37(31(3,4)5)17-25(26)24-9-7-22(33)15-28(24)34/h6-9,14-16,21,25-26H,10-13,17-18H2,1-5H3/t25-,26+/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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 2811-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.075
BindingDB Entry DOI: 10.7270/Q2T154PX |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50382906
(CHEMBL2023202)Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1cc(Cl)ccc1Cl |r| Show InChI InChI=1S/C30H34Cl2F2N4O/c1-18-13-27(38(35-18)28-14-20(31)5-8-25(28)32)19-9-11-36(12-10-19)29(39)24-17-37(30(2,3)4)16-23(24)22-7-6-21(33)15-26(22)34/h5-8,13-15,19,23-24H,9-12,16-17H2,1-4H3/t23-,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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 2818-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.077
BindingDB Entry DOI: 10.7270/Q2J967D7 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50361786
(CHEMBL1938522)Show SMILES Clc1ccc(cc1)C(NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccncc1 Show InChI InChI=1S/C26H28ClN3O/c27-24-8-6-22(7-9-24)26(23-10-15-28-16-11-23)29-25(31)14-19-30-17-12-21(13-18-30)20-4-2-1-3-5-20/h1-11,15-16,21,26H,12-14,17-19H2,(H,29,31) | 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 | 0.300 | 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 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
(Homo sapiens (Human)) | BDBM50382906
(CHEMBL2023202)Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1cc(Cl)ccc1Cl |r| Show InChI InChI=1S/C30H34Cl2F2N4O/c1-18-13-27(38(35-18)28-14-20(31)5-8-25(28)32)19-9-11-36(12-10-19)29(39)24-17-37(30(2,3)4)16-23(24)22-7-6-21(33)15-26(22)34/h5-8,13-15,19,23-24H,9-12,16-17H2,1-4H3/t23-,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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 2811-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.075
BindingDB Entry DOI: 10.7270/Q2T154PX |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM235955
(US9365539, 36)Show SMILES OC(CN1CCC(CC1)c1cc(nn1-c1ncccn1)-c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C26H26ClN5O/c27-22-9-7-19(8-10-22)23-17-24(32(30-23)26-28-13-4-14-29-26)20-11-15-31(16-12-20)18-25(33)21-5-2-1-3-6-21/h1-10,13-14,17,20,25,33H,11-12,15-16,18H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | 5.5 | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
The assay was run in a 384-well microliter plate at 37° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or ... |
US Patent US9365539 (2016)
BindingDB Entry DOI: 10.7270/Q22B8WXK |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50364407
(CHEMBL1950444)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)N)[C@@H](C)c1ccc(cc1)-c1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r| Show InChI InChI=1S/C29H31Cl2N5O2/c1-16(18-10-12-20(13-11-18)19-8-6-5-7-9-19)25(36-28(38)29(3,4)32)27(37)33-17(2)26-34-23-14-21(30)22(31)15-24(23)35-26/h5-17,25H,32H2,1-4H3,(H,33,37)(H,34,35)(H,36,38)/t16-,17-,25-/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 | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate for 30 mins by continuous fluorimetric assay |
Bioorg Med Chem Lett 22: 1774-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.064
BindingDB Entry DOI: 10.7270/Q27H1K28 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50382905
(CHEMBL2022794)Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C30H34Cl2F2N4O/c1-18-13-28(38(35-18)27-8-5-20(31)14-25(27)32)19-9-11-36(12-10-19)29(39)24-17-37(30(2,3)4)16-23(24)22-7-6-21(33)15-26(22)34/h5-8,13-15,19,23-24H,9-12,16-17H2,1-4H3/t23-,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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 2811-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.075
BindingDB Entry DOI: 10.7270/Q2T154PX |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50383421
(CHEMBL2031595)Show SMILES CN(C)[C@]1(C)C[C@@H]([C@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1ccnn1-c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C29H32ClF3N4O/c1-29(35(2)3)16-22(21-6-4-19(31)14-26(21)33)23(17-29)28(38)36-12-9-18(10-13-36)27-8-11-34-37(27)20-5-7-25(32)24(30)15-20/h4-8,11,14-15,18,22-23H,9-10,12-13,16-17H2,1-3H3/t22-,23+,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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 2818-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.077
BindingDB Entry DOI: 10.7270/Q2J967D7 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50364676
(CHEMBL1951465 | US8785634, 1)Show SMILES FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2cc(Cl)ccn2)cc1 Show InChI InChI=1S/C25H22ClF3N2O2/c26-18-9-12-30-22(15-18)23-20-3-1-2-4-21(20)24(33-23)10-13-31(14-11-24)16-17-5-7-19(8-6-17)32-25(27,28)29/h1-9,12,15,23H,10-11,13-14,16H2 | 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 | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 1550-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.002
BindingDB Entry DOI: 10.7270/Q2JS9QXQ |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50364687
(CHEMBL1951476 | US8785634, 8)Show SMILES CC(C)(N1CCC2(CC1)OC(c1cccnc21)c1cc(Cl)ccn1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C26H25ClF3N3O2/c1-24(2,17-5-7-19(8-6-17)34-26(28,29)30)33-14-10-25(11-15-33)23-20(4-3-12-32-23)22(35-25)21-16-18(27)9-13-31-21/h3-9,12-13,16,22H,10-11,14-15H2,1-2H3 | 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 | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 1550-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.002
BindingDB Entry DOI: 10.7270/Q2JS9QXQ |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50364687
(CHEMBL1951476 | US8785634, 8)Show SMILES CC(C)(N1CCC2(CC1)OC(c1cccnc21)c1cc(Cl)ccn1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C26H25ClF3N3O2/c1-24(2,17-5-7-19(8-6-17)34-26(28,29)30)33-14-10-25(11-15-33)23-20(4-3-12-32-23)22(35-25)21-16-18(27)9-13-31-21/h3-9,12-13,16,22H,10-11,14-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp
US Patent
| Assay Description
The potency of compounds of formula I against PrCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PrCP inhibit... |
US Patent US8785634 (2014)
BindingDB Entry DOI: 10.7270/Q2HH6HRS |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50382912
(CHEMBL2023209 | US8569299, 4)Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C30H34ClF3N4O/c1-18-13-28(38(35-18)21-6-8-26(33)25(31)15-21)19-9-11-36(12-10-19)29(39)24-17-37(30(2,3)4)16-23(24)22-7-5-20(32)14-27(22)34/h5-8,13-15,19,23-24H,9-12,16-17H2,1-4H3/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | 5.5 | 37 |
Merck Sharp & Dohme Corp
US Patent
| Assay Description
The potency of compounds against PRCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PRCP inhibitor test compo... |
US Patent US8569299 (2013)
BindingDB Entry DOI: 10.7270/Q2K9365V |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50382912
(CHEMBL2023209 | US8569299, 4)Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C30H34ClF3N4O/c1-18-13-28(38(35-18)21-6-8-26(33)25(31)15-21)19-9-11-36(12-10-19)29(39)24-17-37(30(2,3)4)16-23(24)22-7-5-20(32)14-27(22)34/h5-8,13-15,19,23-24H,9-12,16-17H2,1-4H3/t23-,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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 2811-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.075
BindingDB Entry DOI: 10.7270/Q2T154PX |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50382910
(CHEMBL2023207)Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)cc1F |r| Show InChI InChI=1S/C30H34ClF3N4O/c1-18-13-28(38(35-18)27-8-5-20(31)14-26(27)34)19-9-11-36(12-10-19)29(39)24-17-37(30(2,3)4)16-23(24)22-7-6-21(32)15-25(22)33/h5-8,13-15,19,23-24H,9-12,16-17H2,1-4H3/t23-,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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 2811-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.075
BindingDB Entry DOI: 10.7270/Q2T154PX |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM235954
(US9365539, 34)Show SMILES OC(=O)C(CN1CCC(CC1)c1cc(nn1-c1ncccn1)-c1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C27H26FN5O2/c28-22-9-7-20(8-10-22)24-17-25(33(31-24)27-29-13-4-14-30-27)21-11-15-32(16-12-21)18-23(26(34)35)19-5-2-1-3-6-19/h1-10,13-14,17,21,23H,11-12,15-16,18H2,(H,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | 5.5 | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
The assay was run in a 384-well microliter plate at 37° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or ... |
US Patent US9365539 (2016)
BindingDB Entry DOI: 10.7270/Q22B8WXK |
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)) | BDBM50361774
(CHEMBL1938510)Show SMILES C[C@H]([C@H](NC(=O)C(C)(C)N)C(=O)NC(c1ccncc1)c1ccc(Cl)cc1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C32H33ClN4O2/c1-21(22-9-11-24(12-10-22)23-7-5-4-6-8-23)28(37-31(39)32(2,3)34)30(38)36-29(26-17-19-35-20-18-26)25-13-15-27(33)16-14-25/h4-21,28-29H,34H2,1-3H3,(H,36,38)(H,37,39)/t21-,28-,29?/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 | 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 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
(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
(Homo sapiens (Human)) | BDBM50364676
(CHEMBL1951465 | US8785634, 1)Show SMILES FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2cc(Cl)ccn2)cc1 Show InChI InChI=1S/C25H22ClF3N2O2/c26-18-9-12-30-22(15-18)23-20-3-1-2-4-21(20)24(33-23)10-13-31(14-11-24)16-17-5-7-19(8-6-17)32-25(27,28)29/h1-9,12,15,23H,10-11,13-14,16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp
US Patent
| Assay Description
The potency of compounds of formula I against PrCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PrCP inhibit... |
US Patent US8785634 (2014)
BindingDB Entry DOI: 10.7270/Q2HH6HRS |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM155349
(US9006268, 21)Show SMILES Clc1ccc(cc1)-c1nc(c([nH]1)C1CCN(CCc2ccccc2)CC1)-c1ncccn1 Show InChI InChI=1S/C26H26ClN5/c27-22-9-7-21(8-10-22)25-30-23(24(31-25)26-28-14-4-15-29-26)20-12-17-32(18-13-20)16-11-19-5-2-1-3-6-19/h1-10,14-15,20H,11-13,16-18H2,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | 5.5 | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
The assay was run in a 384-well microtiter plate at 37° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or... |
US Patent US9006268 (2015)
BindingDB Entry DOI: 10.7270/Q2J38R9S |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50382898
(CHEMBL2022786)Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)cc1C |r| Show InChI InChI=1S/C31H37ClF2N4O/c1-19-14-22(32)6-9-28(19)38-29(15-20(2)35-38)21-10-12-36(13-11-21)30(39)26-18-37(31(3,4)5)17-25(26)24-8-7-23(33)16-27(24)34/h6-9,14-16,21,25-26H,10-13,17-18H2,1-5H3/t25-,26+/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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 2811-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.075
BindingDB Entry DOI: 10.7270/Q2T154PX |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50364685
(CHEMBL1951474)Show SMILES CC(N1CCC2(CC1)OC(c1ccccc21)c1cc(Cl)cc(Cl)c1)c1ccc(F)cn1 Show InChI InChI=1S/C25H23Cl2FN2O/c1-16(23-7-6-20(28)15-29-23)30-10-8-25(9-11-30)22-5-3-2-4-21(22)24(31-25)17-12-18(26)14-19(27)13-17/h2-7,12-16,24H,8-11H2,1H3 | 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 | 0.730 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 1550-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.002
BindingDB Entry DOI: 10.7270/Q2JS9QXQ |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50364387
(CHEMBL1950439)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)O)[C@@H](C)c1ccc(OCC(F)(F)F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r| Show InChI InChI=1S/C25H27Cl2F3N4O4/c1-12(14-5-7-15(8-6-14)38-11-25(28,29)30)20(34-23(36)24(3,4)37)22(35)31-13(2)21-32-18-9-16(26)17(27)10-19(18)33-21/h5-10,12-13,20,37H,11H2,1-4H3,(H,31,35)(H,32,33)(H,34,36)/t12-,13-,20-/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 | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate for 30 mins by continuous fluorimetric assay |
Bioorg Med Chem Lett 22: 1774-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.064
BindingDB Entry DOI: 10.7270/Q27H1K28 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50364689
(CHEMBL1951478)Show SMILES [O-][n+]1ccc(Cl)cc1C1OC2(CCN(CC2)S(=O)(=O)c2ccc(cn2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C23H19ClF3N3O4S/c24-16-7-10-30(31)19(13-16)21-17-3-1-2-4-18(17)22(34-21)8-11-29(12-9-22)35(32,33)20-6-5-15(14-28-20)23(25,26)27/h1-7,10,13-14,21H,8-9,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 1550-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.002
BindingDB Entry DOI: 10.7270/Q2JS9QXQ |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM155348
(US9006268, 19)Show SMILES Fc1ccc(cc1)-c1nc(c(o1)C1CCN(CCc2ccccc2)CC1)-c1ncccn1 Show InChI InChI=1S/C26H25FN4O/c27-22-9-7-21(8-10-22)26-30-23(25-28-14-4-15-29-25)24(32-26)20-12-17-31(18-13-20)16-11-19-5-2-1-3-6-19/h1-10,14-15,20H,11-13,16-18H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | 5.5 | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
The assay was run in a 384-well microtiter plate at 37° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or... |
US Patent US9006268 (2015)
BindingDB Entry DOI: 10.7270/Q2J38R9S |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50383420
(CHEMBL2031596)Show SMILES CN(C)[C@@]1(C)C[C@@H]([C@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1ccnn1-c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C29H32ClF3N4O/c1-29(35(2)3)16-22(21-6-4-19(31)14-26(21)33)23(17-29)28(38)36-12-9-18(10-13-36)27-8-11-34-37(27)20-5-7-25(32)24(30)15-20/h4-8,11,14-15,18,22-23H,9-10,12-13,16-17H2,1-3H3/t22-,23+,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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 2818-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.077
BindingDB Entry DOI: 10.7270/Q2J967D7 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM104819
(US8569299, 8)Show SMILES CN(C)[C@]1(C)C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1cc(C)nn1-c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C30H34Cl2F2N4O/c1-18-13-28(38(35-18)21-6-8-25(31)26(32)15-21)19-9-11-37(12-10-19)29(39)24-17-30(2,36(3)4)16-23(24)22-7-5-20(33)14-27(22)34/h5-8,13-15,19,23-24H,9-12,16-17H2,1-4H3/t23-,24+,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | 5.5 | 37 |
Merck Sharp & Dohme Corp
US Patent
| Assay Description
The potency of compounds against PRCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PRCP inhibitor test compo... |
US Patent US8569299 (2013)
BindingDB Entry DOI: 10.7270/Q2K9365V |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50382886
(CHEMBL2024198 | US8569299, 23)Show SMILES Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C30H36ClF2N5O/c1-18-14-22(7-9-26(18)31)38-28(34-19(2)35-38)20-10-12-36(13-11-20)29(39)25-17-37(30(3,4)5)16-24(25)23-8-6-21(32)15-27(23)33/h6-9,14-15,20,24-25H,10-13,16-17H2,1-5H3/t24-,25+/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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 2818-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.077
BindingDB Entry DOI: 10.7270/Q2J967D7 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50383425
(CHEMBL2031590)Show SMILES CN(C)[C@]1(C)C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1cc(C)nn1-c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C30H34ClF3N4O/c1-18-13-28(38(35-18)21-6-8-26(33)25(31)15-21)19-9-11-37(12-10-19)29(39)24-17-30(2,36(3)4)16-23(24)22-7-5-20(32)14-27(22)34/h5-8,13-15,19,23-24H,9-12,16-17H2,1-4H3/t23-,24+,30-/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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 2818-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.077
BindingDB Entry DOI: 10.7270/Q2J967D7 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50383427
(CHEMBL2031588)Show SMILES CN(C)[C@]1(C)C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1cc(C)nn1-c1cc(Cl)ccc1Cl |r| Show InChI InChI=1S/C30H34Cl2F2N4O/c1-18-13-27(38(35-18)28-14-20(31)5-8-25(28)32)19-9-11-37(12-10-19)29(39)24-17-30(2,36(3)4)16-23(24)22-7-6-21(33)15-26(22)34/h5-8,13-15,19,23-24H,9-12,16-17H2,1-4H3/t23-,24+,30-/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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 2818-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.077
BindingDB Entry DOI: 10.7270/Q2J967D7 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50361766
(CHEMBL1938502)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)N)[C@@H](C)c1ccc(cc1)-c1ccccc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H32ClN3O2/c1-18(20-10-12-23(13-11-20)22-8-6-5-7-9-22)25(32-27(34)28(3,4)30)26(33)31-19(2)21-14-16-24(29)17-15-21/h5-19,25H,30H2,1-4H3,(H,31,33)(H,32,34)/t18-,19-,25-/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 | 0.900 | 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 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
(Homo sapiens (Human)) | BDBM50382886
(CHEMBL2024198 | US8569299, 23)Show SMILES Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C30H36ClF2N5O/c1-18-14-22(7-9-26(18)31)38-28(34-19(2)35-38)20-10-12-36(13-11-20)29(39)25-17-37(30(3,4)5)16-24(25)23-8-6-21(32)15-27(23)33/h6-9,14-15,20,24-25H,10-13,16-17H2,1-5H3/t24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | 5.5 | 37 |
Merck Sharp & Dohme Corp
US Patent
| Assay Description
The potency of compounds against PRCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PRCP inhibitor test compo... |
US Patent US8569299 (2013)
BindingDB Entry DOI: 10.7270/Q2K9365V |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50382886
(CHEMBL2024198 | US8569299, 23)Show SMILES Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C30H36ClF2N5O/c1-18-14-22(7-9-26(18)31)38-28(34-19(2)35-38)20-10-12-36(13-11-20)29(39)25-17-37(30(3,4)5)16-24(25)23-8-6-21(32)15-27(23)33/h6-9,14-15,20,24-25H,10-13,16-17H2,1-5H3/t24-,25+/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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 2811-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.075
BindingDB Entry DOI: 10.7270/Q2T154PX |
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)) | 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
| US Patent
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
The potency of compounds of formula I against PrCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PrCP inhibit... |
US Patent US8669252 (2014)
BindingDB Entry DOI: 10.7270/Q2J9652X |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50382914
(CHEMBL2023211)Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1cc(Cl)ccc1F |r| Show InChI InChI=1S/C30H34ClF3N4O/c1-18-13-27(38(35-18)28-14-20(31)5-8-25(28)33)19-9-11-36(12-10-19)29(39)24-17-37(30(2,3)4)16-23(24)22-7-6-21(32)15-26(22)34/h5-8,13-15,19,23-24H,9-12,16-17H2,1-4H3/t23-,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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 2811-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.075
BindingDB Entry DOI: 10.7270/Q2T154PX |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50364681
(CHEMBL1951470)Show SMILES CC(N1CCC2(CC1)OC(c1ccccc21)c1cc(Cl)ccn1)c1ccc(F)cn1 Show InChI InChI=1S/C24H23ClFN3O/c1-16(21-7-6-18(26)15-28-21)29-12-9-24(10-13-29)20-5-3-2-4-19(20)23(30-24)22-14-17(25)8-11-27-22/h2-8,11,14-16,23H,9-10,12-13H2,1H3 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 1550-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.002
BindingDB Entry DOI: 10.7270/Q2JS9QXQ |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50364408
(CHEMBL1950443)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NCC(C)(C)N)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r| Show InChI InChI=1S/C28H31Cl2N5O/c1-17(26-34-23-14-21(29)22(30)15-24(23)35-26)33-27(36)25(32-16-28(2,3)31)13-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,14-15,17,25,32H,13,16,31H2,1-3H3,(H,33,36)(H,34,35)/t17-,25-/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate for 30 mins by continuous fluorimetric assay |
Bioorg Med Chem Lett 22: 1774-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.064
BindingDB Entry DOI: 10.7270/Q27H1K28 |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50328523
(2-Amino-N-{(2S,3S)-3-(biphenyl-4-yl)-1-[(2S)-2-(5,...)Show SMILES C[C@H]([C@H](NC(=O)C(C)(C)N)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C31H33Cl2N5O2/c1-18(19-11-13-21(14-12-19)20-8-5-4-6-9-20)27(37-30(40)31(2,3)34)29(39)38-15-7-10-26(38)28-35-24-16-22(32)23(33)17-25(24)36-28/h4-6,8-9,11-14,16-18,26-27H,7,10,15,34H2,1-3H3,(H,35,36)(H,37,40)/t18-,26-,27-/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50382897
(CHEMBL2022785)Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C31H37ClF2N4O/c1-19-14-23(7-9-27(19)32)38-29(15-20(2)35-38)21-10-12-36(13-11-21)30(39)26-18-37(31(3,4)5)17-25(26)24-8-6-22(33)16-28(24)34/h6-9,14-16,21,25-26H,10-13,17-18H2,1-5H3/t25-,26+/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human PrCP |
Bioorg Med Chem Lett 22: 2811-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.075
BindingDB Entry DOI: 10.7270/Q2T154PX |
More data for this
Ligand-Target Pair | |
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