Found 485 hits with Last Name = 'lassman' and Initial = 'me' 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
(Mus musculus) | 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 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 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
(Mus musculus) | 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 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 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)) | 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
(Mus musculus) | 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 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 mouse 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
(Mus musculus) | 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 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 mouse 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)) | 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)) | 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: 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)) | 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
(Mus musculus) | 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 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 mouse 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
(Mus musculus) | 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 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 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)) | 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
(Mus musculus) | BDBM50364679
(CHEMBL1951468 | US8785634, 2)Show SMILES [O-][n+]1ccc(Cl)cc1C1OC2(CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c2ccccc12 Show InChI InChI=1S/C25H22ClF3N2O3/c26-18-9-12-31(32)22(15-18)23-20-3-1-2-4-21(20)24(34-23)10-13-30(14-11-24)16-17-5-7-19(8-6-17)33-25(27,28)29/h1-9,12,15,23H,10-11,13-14,16H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 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
(Mus musculus) | 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 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 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
(Mus musculus) | 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 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 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 | |
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
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antibodypedia
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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
(Mus musculus) | 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 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 mouse 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
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antibodypedia
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| 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
(Mus musculus) | 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 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 mouse 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
(Mus musculus) | 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 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 mouse 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
(Mus musculus) | BDBM50338033
((S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)py...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 |r| Show InChI InChI=1S/C28H30Cl2N6O4S/c1-41(38,39)19-6-4-17(5-7-19)26-33-28(40-34-26)18-8-12-35(13-9-18)14-10-25(37)36-11-2-3-24(36)27-31-22-15-20(29)21(30)16-23(22)32-27/h4-7,15-16,18,24H,2-3,8-14H2,1H3,(H,31,32)/t24-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/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
(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
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| 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 | |
Malonyl-CoA decarboxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50328246
(3-(4-carbamoyl-1-(5-(1,1,1,3,3,3-hexafluoro-2-hydr...)Show SMILES NC(=O)C1(CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)C(O)=O Show InChI InChI=1S/C19H17F6N3O4S/c20-18(21,22)17(32,19(23,24)25)12-9-27-15(33-12)28-6-4-16(5-7-28,14(26)31)11-3-1-2-10(8-11)13(29)30/h1-3,8-9,32H,4-7H2,(H2,26,31)(H,29,30) | PDB
Reactome pathway
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| 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 MCD |
Bioorg Med Chem Lett 20: 6088-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.047
BindingDB Entry DOI: 10.7270/Q2542NTX |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | 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 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 mouse 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)) | 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
(Mus musculus) | BDBM50338029
((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)-c1ccncc1 |r| Show InChI InChI=1S/C26H27Cl2N7O2/c27-18-14-20-21(15-19(18)28)31-25(30-20)22-2-1-10-35(22)23(36)7-13-34-11-5-17(6-12-34)26-32-24(33-37-26)16-3-8-29-9-4-16/h3-4,8-9,14-15,17,22H,1-2,5-7,10-13H2,(H,30,31)/t22-/m0/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | |
Malonyl-CoA decarboxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50328247
(4-(3-carboxyphenyl)-1-(5-(1,1,1,3,3,3-hexafluoro-2...)Show SMILES OC(=O)c1cccc(c1)C1(CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F)C(O)=O Show InChI InChI=1S/C19H16F6N2O5S/c20-18(21,22)17(32,19(23,24)25)12-9-26-15(33-12)27-6-4-16(5-7-27,14(30)31)11-3-1-2-10(8-11)13(28)29/h1-3,8-9,32H,4-7H2,(H,28,29)(H,30,31) | PDB
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 human MCD |
Bioorg Med Chem Lett 20: 6088-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.047
BindingDB Entry DOI: 10.7270/Q2542NTX |
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
(Mus musculus) | BDBM50364669
(CHEMBL1951458)Show SMILES FC(F)(F)c1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2cc(Cl)cc(Cl)c2)nc1 Show InChI InChI=1S/C25H21Cl2F3N2O/c26-18-11-16(12-19(27)13-18)23-21-3-1-2-4-22(21)24(33-23)7-9-32(10-8-24)15-20-6-5-17(14-31-20)25(28,29)30/h1-6,11-14,23H,7-10,15H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 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)) | 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
(Mus musculus) | 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 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 mouse 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
(Mus musculus) | BDBM50338007
((S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)py...)Show SMILES Cn1nc(cc1-c1ccncc1)C1CCN(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 |r| Show InChI InChI=1S/C28H31Cl2N7O/c1-35-26(19-4-9-31-10-5-19)17-22(34-35)18-6-12-36(13-7-18)14-8-27(38)37-11-2-3-25(37)28-32-23-15-20(29)21(30)16-24(23)33-28/h4-5,9-10,15-18,25H,2-3,6-8,11-14H2,1H3,(H,32,33)/t25-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 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
(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)) | 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)) | 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 | |
Malonyl-CoA decarboxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50328248
(1-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)...)Show SMILES CS(=O)(=O)NC(=O)C1(CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C19H19F6N3O4S2/c1-34(31,32)27-14(29)16(12-5-3-2-4-6-12)7-9-28(10-8-16)15-26-11-13(33-15)17(30,18(20,21)22)19(23,24)25/h2-6,11,30H,7-10H2,1H3,(H,27,29) | PDB
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 MCD |
Bioorg Med Chem Lett 20: 6088-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.047
BindingDB Entry DOI: 10.7270/Q2542NTX |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Mus musculus) | BDBM50383426
(CHEMBL2031589)Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2C[C@@](C)(N)C[C@H]2c2ccc(F)cc2F)n(n1)-c1cc(Cl)ccc1Cl |r| Show InChI InChI=1S/C28H30Cl2F2N4O/c1-16-11-25(36(34-16)26-12-18(29)3-6-23(26)30)17-7-9-35(10-8-17)27(37)22-15-28(2,33)14-21(22)20-5-4-19(31)13-24(20)32/h3-6,11-13,17,21-22H,7-10,14-15,33H2,1-2H3/t21-,22+,28-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 mouse 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 | |
Malonyl-CoA decarboxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50328235
(3-(1-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...)Show SMILES OC(=O)c1cccc(c1)C1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H16F6N2O3S/c19-17(20,21)16(29,18(22,23)24)13-9-25-15(30-13)26-6-4-10(5-7-26)11-2-1-3-12(8-11)14(27)28/h1-3,8-10,29H,4-7H2,(H,27,28) | PDB
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 MCD |
Bioorg Med Chem Lett 20: 6088-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.047
BindingDB Entry DOI: 10.7270/Q2542NTX |
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)) | 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)) | 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
(Mus musculus) | BDBM50364666
(CHEMBL1951456)Show SMILES FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2cc(Cl)cc(Cl)c2)cc1 Show InChI InChI=1S/C26H22Cl2F3NO2/c27-19-13-18(14-20(28)15-19)24-22-3-1-2-4-23(22)25(34-24)9-11-32(12-10-25)16-17-5-7-21(8-6-17)33-26(29,30)31/h1-8,13-15,24H,9-12,16H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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 mouse 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 | |
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