Found 67 hits with Last Name = 'velagaleti' and Initial = 'r' 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 |
|---|
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334215
((+/-)-threo-3-Iodomethylphenidate | CHEMBL1641691)Show InChI InChI=1S/C14H18INO2/c1-18-14(17)13(12-7-2-3-8-16-12)10-5-4-6-11(15)9-10/h4-6,9,12-13,16H,2-3,7-8H2,1H3/t12-,13-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Mylan School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig |
Bioorg Med Chem 19: 504-12 (2011)
Article DOI: 10.1016/j.bmc.2010.11.002
BindingDB Entry DOI: 10.7270/Q29Z9567 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50327148
((R)-methyl 2-(4-iodophenyl)-2-((R)-piperidin-2-yl)...)Show InChI InChI=1S/C14H18INO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9H2,1H3/t12-,13-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Mylan School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig |
Bioorg Med Chem 19: 504-12 (2011)
Article DOI: 10.1016/j.bmc.2010.11.002
BindingDB Entry DOI: 10.7270/Q29Z9567 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50062915
(CHEMBL827 | METHYLPHENIDATE | methyl (2R)-phenyl[(...)Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Mylan School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig |
Bioorg Med Chem 19: 504-12 (2011)
Article DOI: 10.1016/j.bmc.2010.11.002
BindingDB Entry DOI: 10.7270/Q29Z9567 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334214
((+/-)-threo-N-(p-Azido-benzyl)-4-iodomethylphenida...)Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccc(cc1)N=[N+]=[N-])c1ccc(I)cc1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(16-7-9-17(22)10-8-16)19-4-2-3-13-26(19)14-15-5-11-18(12-6-15)24-25-23/h5-12,19-20H,2-4,13-14H2,1H3/t19-,20-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 363 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Mylan School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig |
Bioorg Med Chem 19: 504-12 (2011)
Article DOI: 10.1016/j.bmc.2010.11.002
BindingDB Entry DOI: 10.7270/Q29Z9567 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334212
((+/-)-threo-N-(o-Azido-benzyl)-4-iodomethylphenida...)Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1N=[N+]=[N-])c1ccc(I)cc1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(15-9-11-17(22)12-10-15)19-8-4-5-13-26(19)14-16-6-2-3-7-18(16)24-25-23/h2-3,6-7,9-12,19-20H,4-5,8,13-14H2,1H3/t19-,20-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 517 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Mylan School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig |
Bioorg Med Chem 19: 504-12 (2011)
Article DOI: 10.1016/j.bmc.2010.11.002
BindingDB Entry DOI: 10.7270/Q29Z9567 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334211
((+/-)-threo-N-(p-Azido-benzyl)-3-iodomethylphenida...)Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccc(cc1)N=[N+]=[N-])c1cccc(I)c1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(16-5-4-6-17(22)13-16)19-7-2-3-12-26(19)14-15-8-10-18(11-9-15)24-25-23/h4-6,8-11,13,19-20H,2-3,7,12,14H2,1H3/t19-,20-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 658 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Mylan School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig |
Bioorg Med Chem 19: 504-12 (2011)
Article DOI: 10.1016/j.bmc.2010.11.002
BindingDB Entry DOI: 10.7270/Q29Z9567 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334209
((+/-)-threo-N-(o-Azido-benzyl)-3-iodomethylphenida...)Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1N=[N+]=[N-])c1cccc(I)c1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(15-8-6-9-17(22)13-15)19-11-4-5-12-26(19)14-16-7-2-3-10-18(16)24-25-23/h2-3,6-10,13,19-20H,4-5,11-12,14H2,1H3/t19-,20-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Mylan School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig |
Bioorg Med Chem 19: 504-12 (2011)
Article DOI: 10.1016/j.bmc.2010.11.002
BindingDB Entry DOI: 10.7270/Q29Z9567 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334210
((+/-)-threo-N-(m-Azido-benzyl)-3-iodomethylphenida...)Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1cccc(c1)N=[N+]=[N-])c1cccc(I)c1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(16-7-5-8-17(22)13-16)19-10-2-3-11-26(19)14-15-6-4-9-18(12-15)24-25-23/h4-9,12-13,19-20H,2-3,10-11,14H2,1H3/t19-,20-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Mylan School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig |
Bioorg Med Chem 19: 504-12 (2011)
Article DOI: 10.1016/j.bmc.2010.11.002
BindingDB Entry DOI: 10.7270/Q29Z9567 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334213
((+/-)-threo-N-(m-Azido-benzyl)-4-iodomethylphenida...)Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1cccc(c1)N=[N+]=[N-])c1ccc(I)cc1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(16-8-10-17(22)11-9-16)19-7-2-3-12-26(19)14-15-5-4-6-18(13-15)24-25-23/h4-6,8-11,13,19-20H,2-3,7,12,14H2,1H3/t19-,20-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Mylan School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig |
Bioorg Med Chem 19: 504-12 (2011)
Article DOI: 10.1016/j.bmc.2010.11.002
BindingDB Entry DOI: 10.7270/Q29Z9567 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50125265
(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.0490 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50011502
(CHEMBL3261926)Show SMILES NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r| Show InChI InChI=1S/C22H22N4O2/c23-14-17-3-7-19(8-4-17)18-5-1-16(2-6-18)13-20(15-24)26-21(27)22(25)9-11-28-12-10-22/h1-8,20H,9-13,25H2,(H,26,27)/t20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
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 |
TBA
| Assay Description
Inhibition of human cathepsin C |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50182422
(CHEMBL3818650)Show SMILES COC(CO)Cn1ccc(Nc2cc(c(C)cc2OCCN)-c2ccccc2C)n1 Show InChI InChI=1S/C23H30N4O3/c1-16-6-4-5-7-19(16)20-13-21(22(12-17(20)2)30-11-9-24)25-23-8-10-27(26-23)14-18(15-28)29-3/h4-8,10,12-13,18,28H,9,11,14-15,24H2,1-3H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50182421
(CHEMBL3817896)Show SMILES COC(CO)Cc1csc(Nc2cc(c(C)cc2OCCN)-c2ccccc2C)n1 Show InChI InChI=1S/C23H29N3O3S/c1-15-6-4-5-7-19(15)20-12-21(22(10-16(20)2)29-9-8-24)26-23-25-17(14-30-23)11-18(13-27)28-3/h4-7,10,12,14,18,27H,8-9,11,13,24H2,1-3H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50182420
(CHEMBL3819600)Show SMILES COC(CO)Cc1csc(Nc2cc(c(C)cc2OC)-c2ccccc2C)n1 Show InChI InChI=1S/C22H26N2O3S/c1-14-7-5-6-8-18(14)19-11-20(21(27-4)9-15(19)2)24-22-23-16(13-28-22)10-17(12-25)26-3/h5-9,11,13,17,25H,10,12H2,1-4H3,(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50568317
(CHEMBL4865824)Show SMILES [H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)C#N |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| 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 |
TBA
| Assay Description
Inhibition of human cathepsin C |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50011502
(CHEMBL3261926)Show SMILES NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r| Show InChI InChI=1S/C22H22N4O2/c23-14-17-3-7-19(8-4-17)18-5-1-16(2-6-18)13-20(15-24)26-21(27)22(25)9-11-28-12-10-22/h1-8,20H,9-13,25H2,(H,26,27)/t20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of cellular cathepsin C (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50568319
(CHEMBL4869673)Show SMILES [H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(c(c1)C#N)S(C)(=O)=O)C#N |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human cathepsin C |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50568314
(CHEMBL4856217)Show SMILES [H][C@@]12CCC[C@]1([H])N[C@@H](C2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human cathepsin C |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50182419
(CHEMBL3819444)Show InChI InChI=1S/C21H24N2O2S/c1-14-6-4-5-7-19(14)20-11-16(9-8-15(20)2)22-21-23-17(13-26-21)10-18(12-24)25-3/h4-9,11,13,18,24H,10,12H2,1-3H3,(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50568310
(CHEMBL4875554)Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CC2(CCCC2)CN1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human cathepsin C |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50327148
((R)-methyl 2-(4-iodophenyl)-2-((R)-piperidin-2-yl)...)Show InChI InChI=1S/C14H18INO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9H2,1H3/t12-,13-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Mylan School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells |
Bioorg Med Chem 19: 504-12 (2011)
Article DOI: 10.1016/j.bmc.2010.11.002
BindingDB Entry DOI: 10.7270/Q29Z9567 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334215
((+/-)-threo-3-Iodomethylphenidate | CHEMBL1641691)Show InChI InChI=1S/C14H18INO2/c1-18-14(17)13(12-7-2-3-8-16-12)10-5-4-6-11(15)9-10/h4-6,9,12-13,16H,2-3,7-8H2,1H3/t12-,13-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Mylan School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells |
Bioorg Med Chem 19: 504-12 (2011)
Article DOI: 10.1016/j.bmc.2010.11.002
BindingDB Entry DOI: 10.7270/Q29Z9567 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50568318
(CHEMBL4850769)Show SMILES [H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(C#N)c(c1)S(C)(=O)=O)C#N |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human cathepsin C |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50182422
(CHEMBL3818650)Show SMILES COC(CO)Cn1ccc(Nc2cc(c(C)cc2OCCN)-c2ccccc2C)n1 Show InChI InChI=1S/C23H30N4O3/c1-16-6-4-5-7-19(16)20-13-21(22(12-17(20)2)30-11-9-24)25-23-8-10-27(26-23)14-18(15-28)29-3/h4-8,10,12-13,18,28H,9,11,14-15,24H2,1-3H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Lp-PLA2 in human whole plasma using 2-thio-PAF as substrate preincubated for 15 mins followed by substrate addition measured after 3 mi... |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50182421
(CHEMBL3817896)Show SMILES COC(CO)Cc1csc(Nc2cc(c(C)cc2OCCN)-c2ccccc2C)n1 Show InChI InChI=1S/C23H29N3O3S/c1-15-6-4-5-7-19(15)20-12-21(22(10-16(20)2)29-9-8-24)26-23-25-17(14-30-23)11-18(13-27)28-3/h4-7,10,12,14,18,27H,8-9,11,13,24H2,1-3H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Lp-PLA2 in human whole plasma using 2-thio-PAF as substrate preincubated for 15 mins followed by substrate addition measured after 3 mi... |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50568309
(CHEMBL4864151)Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CC2(CCC2)CN1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human cathepsin C |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50125265
(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Lp-PLA2 in human whole plasma using 2-thio-PAF as substrate preincubated for 15 mins followed by substrate addition measured after 3 mi... |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50568316
(CHEMBL4869840)Show SMILES [H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C#N |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human cathepsin C |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50568310
(CHEMBL4875554)Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CC2(CCCC2)CN1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of cellular cathepsin C (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50568313
(CHEMBL4854705)Show SMILES [H][C@]12CCC[C@@]1([H])N[C@@H](C2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human cathepsin C |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50568308
(CHEMBL4851884)Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CC2(CC2)CN1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human cathepsin C |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50568313
(CHEMBL4854705)Show SMILES [H][C@]12CCC[C@@]1([H])N[C@@H](C2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of cellular cathepsin C (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50502617
(CHEMBL4570759)Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C21H20N4O/c22-13-16-5-9-18(10-6-16)17-7-3-15(4-8-17)12-19(14-23)25-21(26)20-2-1-11-24-20/h3-10,19-20,24H,1-2,11-12H2,(H,25,26)/t19-,20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human cathepsin C |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50568309
(CHEMBL4864151)Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CC2(CCC2)CN1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of cellular cathepsin C (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50568315
(CHEMBL4876996)Show SMILES [H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human cathepsin C |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50062915
(CHEMBL827 | METHYLPHENIDATE | methyl (2R)-phenyl[(...)Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 156 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Mylan School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells |
Bioorg Med Chem 19: 504-12 (2011)
Article DOI: 10.1016/j.bmc.2010.11.002
BindingDB Entry DOI: 10.7270/Q29Z9567 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50182428
(CHEMBL3819632)Show InChI InChI=1S/C18H16ClNO/c1-13-8-9-14(18(21)20-10-4-5-11-20)12-16(13)15-6-2-3-7-17(15)19/h2-9,12H,10-11H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50568312
(CHEMBL4848266)Show SMILES [H][C@@]12C[C@]1([H])N[C@@H](C2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 223 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human cathepsin C |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50568311
(CHEMBL4849657)Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CC2(CN1)CCCCC2 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 228 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human cathepsin C |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50182429
(CHEMBL3818759)Show InChI InChI=1S/C19H19NO/c1-14-7-3-4-8-17(14)18-13-16(10-9-15(18)2)19(21)20-11-5-6-12-20/h3-10,13H,11-12H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50182423
(CHEMBL3819367)Show InChI InChI=1S/C20H22N2OS/c1-14-6-3-4-8-18(14)19-12-16(10-9-15(19)2)21-20-22-17(13-24-20)7-5-11-23/h3-4,6,8-10,12-13,23H,5,7,11H2,1-2H3,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50568306
(CHEMBL4846681)Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1COCCN1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 308 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human cathepsin C |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50182420
(CHEMBL3819600)Show SMILES COC(CO)Cc1csc(Nc2cc(c(C)cc2OC)-c2ccccc2C)n1 Show InChI InChI=1S/C22H26N2O3S/c1-14-7-5-6-8-18(14)19-11-20(21(27-4)9-15(19)2)24-22-23-16(13-28-22)10-17(12-25)26-3/h5-9,11,13,17,25H,10,12H2,1-4H3,(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Lp-PLA2 in human whole plasma using 2-thio-PAF as substrate preincubated for 15 mins followed by substrate addition measured after 3 mi... |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50568307
(CHEMBL4847757)Show SMILES [H][C@@]12CCCN1C[C@@H](NC2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 394 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human cathepsin C |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50182419
(CHEMBL3819444)Show InChI InChI=1S/C21H24N2O2S/c1-14-6-4-5-7-19(14)20-11-16(9-8-15(20)2)22-21-23-17(13-26-21)10-18(12-24)25-3/h4-9,11,13,18,24H,10,12H2,1-3H3,(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Lp-PLA2 in human whole plasma using 2-thio-PAF as substrate preincubated for 15 mins followed by substrate addition measured after 3 mi... |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50568314
(CHEMBL4856217)Show SMILES [H][C@@]12CCC[C@]1([H])N[C@@H](C2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 699 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of cellular cathepsin C (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334212
((+/-)-threo-N-(o-Azido-benzyl)-4-iodomethylphenida...)Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1N=[N+]=[N-])c1ccc(I)cc1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(15-9-11-17(22)12-10-15)19-8-4-5-13-26(19)14-16-6-2-3-7-18(16)24-25-23/h2-3,6-7,9-12,19-20H,4-5,8,13-14H2,1H3/t19-,20-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Mylan School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells |
Bioorg Med Chem 19: 504-12 (2011)
Article DOI: 10.1016/j.bmc.2010.11.002
BindingDB Entry DOI: 10.7270/Q29Z9567 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50568320
(CHEMBL4860749)Show SMILES [H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc2oc(=O)n(C)c2c1)C#N |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human cathepsin C |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50182432
(CHEMBL3818591)Show InChI InChI=1S/C17H16N2S/c1-12-5-3-4-6-15(12)16-11-14(8-7-13(16)2)19-17-18-9-10-20-17/h3-11H,1-2H3,(H,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50568315
(CHEMBL4876996)Show SMILES [H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of cellular cathepsin C (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9 |
More data for this
Ligand-Target Pair | |
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