Found 10716 hits with Last Name = 'ok' and Initial = 'h' 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 |
|---|
Urokinase plasminogen activator surface receptor
(Homo sapiens (Human)) | BDBM50005397
(CHEMBL2206684)Show SMILES C=CCn1c(CN2C3=Nc4ccccc4C(=O)NC3=Nc3ccccc23)nc2ccccc12 |c:20,t:7| Show InChI InChI=1S/C26H20N6O/c1-2-15-31-21-13-7-5-11-19(21)27-23(31)16-32-22-14-8-6-12-20(22)28-24-25(32)29-18-10-4-3-9-17(18)26(33)30-24/h2-14H,1,15-16H2,(H,28,30,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Center
Curated by ChEMBL
| Assay Description
Binding affinity to uPAR |
Bioorg Med Chem 20: 6989-7001 (2012)
Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80 |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50581548
(CHEMBL5085124)Show SMILES [H][C@@]12CS[C@@H](CCCCC(=O)NCCOCCOCCC(=O)NC[C@@H]3NC(=O)[C@H](C)NC(=O)CCSCc4cc5CSCCNC(=O)[C@]6(C)CCCN6C(=O)[C@H](Cc6ccc(OC)cc6)NC(=O)[C@@H](NC(=O)[C@@H]6[C@@H]7CCN6C(=O)[C@H](Cc6cn(Cc8cn(nn8)-c(c5)c4)c4ccc(F)cc64)NC(=O)[C@H](Cc4cccc(C\C=C\CO7)c4)NC3=O)[C@H](C)O)[C@]1([H])NC(=O)N2 |r,t:119| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.000600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET ultra assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50581547
(CHEMBL5081349)Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:97| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.000930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET ultra assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q |
More data for this
Ligand-Target Pair | |
Urokinase plasminogen activator surface receptor
(Homo sapiens (Human)) | BDBM50005398
(CHEMBL2206694)Show InChI InChI=1S/C19H15N5/c20-11-14-10-17(13-6-2-1-3-7-13)24(19(14)21)12-18-22-15-8-4-5-9-16(15)23-18/h1-10H,12,21H2,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Center
Curated by ChEMBL
| Assay Description
Binding affinity to uPAR |
Bioorg Med Chem 20: 6989-7001 (2012)
Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80 |
More data for this
Ligand-Target Pair | |
Urokinase plasminogen activator surface receptor
(Homo sapiens (Human)) | BDBM50402366
(CHEMBL2206696)Show SMILES Nc1c(cc(-c2ccccc2)n1-c1ccncc1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C22H17N5/c23-21-17(22-25-18-8-4-5-9-19(18)26-22)14-20(15-6-2-1-3-7-15)27(21)16-10-12-24-13-11-16/h1-14H,23H2,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Center
Curated by ChEMBL
| Assay Description
Binding affinity to uPAR |
Bioorg Med Chem 20: 6989-7001 (2012)
Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80 |
More data for this
Ligand-Target Pair | |
Urokinase plasminogen activator surface receptor
(Homo sapiens (Human)) | BDBM50402378
(CHEMBL2206685)Show SMILES CCOC(=O)Cn1c(CN2C3=Nc4ccccc4C(=O)NC3=Nc3ccccc23)nc2ccccc12 |c:23,t:10| Show InChI InChI=1S/C27H22N6O3/c1-2-36-24(34)16-32-21-13-7-5-11-19(21)28-23(32)15-33-22-14-8-6-12-20(22)29-25-26(33)30-18-10-4-3-9-17(18)27(35)31-25/h3-14H,2,15-16H2,1H3,(H,29,31,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Center
Curated by ChEMBL
| Assay Description
Binding affinity to uPAR |
Bioorg Med Chem 20: 6989-7001 (2012)
Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80 |
More data for this
Ligand-Target Pair | |
Urokinase plasminogen activator surface receptor
(Homo sapiens (Human)) | BDBM50402373
(CHEMBL2206691)Show InChI InChI=1S/C17H12ClN3/c18-14-7-4-8-15(10-14)21-16(9-13(11-19)17(21)20)12-5-2-1-3-6-12/h1-10H,20H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Center
Curated by ChEMBL
| Assay Description
Binding affinity to uPAR |
Bioorg Med Chem 20: 6989-7001 (2012)
Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80 |
More data for this
Ligand-Target Pair | |
Urokinase plasminogen activator surface receptor
(Homo sapiens (Human)) | BDBM50402361
(CHEMBL2206680)Show SMILES Nc1c(cc(-c2ccccc2)n1-c1nc2ccccc2[nH]1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C24H18N6/c25-22-16(23-26-17-10-4-5-11-18(17)27-23)14-21(15-8-2-1-3-9-15)30(22)24-28-19-12-6-7-13-20(19)29-24/h1-14H,25H2,(H,26,27)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Center
Curated by ChEMBL
| Assay Description
Binding affinity to uPAR |
Bioorg Med Chem 20: 6989-7001 (2012)
Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80 |
More data for this
Ligand-Target Pair | |
Urokinase plasminogen activator surface receptor
(Homo sapiens (Human)) | BDBM50402360
(CHEMBL2206681)Show SMILES Nc1c(cc(-c2ccccc2)n1Cc1nc2ccccc2[nH]1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C25H20N6/c26-24-17(25-29-20-12-6-7-13-21(20)30-25)14-22(16-8-2-1-3-9-16)31(24)15-23-27-18-10-4-5-11-19(18)28-23/h1-14H,15,26H2,(H,27,28)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.00200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Center
Curated by ChEMBL
| Assay Description
Binding affinity to uPAR |
Bioorg Med Chem 20: 6989-7001 (2012)
Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80 |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50581546
(CHEMBL5084416)Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:97| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.00239 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET ultra assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q |
More data for this
Ligand-Target Pair | |
Urokinase plasminogen activator surface receptor
(Homo sapiens (Human)) | BDBM50402372
(CHEMBL2206692)Show InChI InChI=1S/C17H12ClN3/c18-14-6-8-15(9-7-14)21-16(10-13(11-19)17(21)20)12-4-2-1-3-5-12/h1-10H,20H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Center
Curated by ChEMBL
| Assay Description
Binding affinity to uPAR |
Bioorg Med Chem 20: 6989-7001 (2012)
Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80 |
More data for this
Ligand-Target Pair | |
Urokinase plasminogen activator surface receptor
(Homo sapiens (Human)) | BDBM50402374
(CHEMBL2206690)Show InChI InChI=1S/C17H12BrN3/c18-14-6-8-15(9-7-14)21-16(10-13(11-19)17(21)20)12-4-2-1-3-5-12/h1-10H,20H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Center
Curated by ChEMBL
| Assay Description
Binding affinity to uPAR |
Bioorg Med Chem 20: 6989-7001 (2012)
Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80 |
More data for this
Ligand-Target Pair | |
Urokinase plasminogen activator surface receptor
(Homo sapiens (Human)) | BDBM50402371
(CHEMBL2206693)Show InChI InChI=1S/C18H13N5/c19-11-13-10-16(12-6-2-1-3-7-12)23(17(13)20)18-21-14-8-4-5-9-15(14)22-18/h1-10H,20H2,(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.00300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Center
Curated by ChEMBL
| Assay Description
Binding affinity to uPAR |
Bioorg Med Chem 20: 6989-7001 (2012)
Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80 |
More data for this
Ligand-Target Pair | |
Urokinase plasminogen activator surface receptor
(Homo sapiens (Human)) | BDBM50402363
(CHEMBL2206699)Show SMILES Nc1c(cc(-c2ccccc2)n1-c1cccc(Cl)c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C23H17ClN4/c24-16-9-6-10-17(13-16)28-21(15-7-2-1-3-8-15)14-18(22(28)25)23-26-19-11-4-5-12-20(19)27-23/h1-14H,25H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Center
Curated by ChEMBL
| Assay Description
Binding affinity to uPAR |
Bioorg Med Chem 20: 6989-7001 (2012)
Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80 |
More data for this
Ligand-Target Pair | |
Urokinase plasminogen activator surface receptor
(Homo sapiens (Human)) | BDBM50402362
(CHEMBL2206700)Show SMILES Nc1c(cc(-c2ccccc2)n1-c1ccc(Cl)cc1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C23H17ClN4/c24-16-10-12-17(13-11-16)28-21(15-6-2-1-3-7-15)14-18(22(28)25)23-26-19-8-4-5-9-20(19)27-23/h1-14H,25H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Center
Curated by ChEMBL
| Assay Description
Binding affinity to uPAR |
Bioorg Med Chem 20: 6989-7001 (2012)
Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80 |
More data for this
Ligand-Target Pair | |
Urokinase plasminogen activator surface receptor
(Homo sapiens (Human)) | BDBM50402375
(CHEMBL2206689)Show InChI InChI=1S/C17H12BrN3/c18-14-7-4-8-15(10-14)21-16(9-13(11-19)17(21)20)12-5-2-1-3-6-12/h1-10H,20H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Center
Curated by ChEMBL
| Assay Description
Binding affinity to uPAR |
Bioorg Med Chem 20: 6989-7001 (2012)
Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80 |
More data for this
Ligand-Target Pair | |
Urokinase plasminogen activator surface receptor
(Homo sapiens (Human)) | BDBM50402370
(CHEMBL2206683)Show SMILES O=C1NC2=Nc3ccccc3N(Cc3nc4ccccc4[nH]3)C2=Nc2ccccc12 |c:26,t:3| Show InChI InChI=1S/C23H16N6O/c30-23-14-7-1-2-8-15(14)27-22-21(28-23)26-18-11-5-6-12-19(18)29(22)13-20-24-16-9-3-4-10-17(16)25-20/h1-12H,13H2,(H,24,25)(H,26,28,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Center
Curated by ChEMBL
| Assay Description
Binding affinity to uPAR |
Bioorg Med Chem 20: 6989-7001 (2012)
Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80 |
More data for this
Ligand-Target Pair | |
Urokinase plasminogen activator surface receptor
(Homo sapiens (Human)) | BDBM50402367
(CHEMBL2206695)Show SMILES Nc1c(cc(-c2ccccc2)n1-c1ccccn1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C22H17N5/c23-21-16(22-25-17-10-4-5-11-18(17)26-22)14-19(15-8-2-1-3-9-15)27(21)20-12-6-7-13-24-20/h1-14H,23H2,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Center
Curated by ChEMBL
| Assay Description
Binding affinity to uPAR |
Bioorg Med Chem 20: 6989-7001 (2012)
Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80 |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50581547
(CHEMBL5081349)Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:97| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.00736 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q |
More data for this
Ligand-Target Pair | |
Urokinase plasminogen activator surface receptor
(Homo sapiens (Human)) | BDBM50402376
(CHEMBL2206688)Show InChI InChI=1S/C16H12N4/c17-11-13-10-15(12-4-2-1-3-5-12)20(16(13)18)14-6-8-19-9-7-14/h1-10H,18H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Center
Curated by ChEMBL
| Assay Description
Binding affinity to uPAR |
Bioorg Med Chem 20: 6989-7001 (2012)
Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80 |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50581545
(CHEMBL5084902)Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CNC(=O)CCOCCOCCN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:94| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.00813 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET ultra assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50581544
(CHEMBL5086475)Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:83| | PDB
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UniChem
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| 0.00826 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50581544
(CHEMBL5086475)Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:83| | PDB
UniProtKB/SwissProt
antibodypedia
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PC sid
UniChem
| Article
PubMed
| 0.00940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET ultra assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50581548
(CHEMBL5085124)Show SMILES [H][C@@]12CS[C@@H](CCCCC(=O)NCCOCCOCCC(=O)NC[C@@H]3NC(=O)[C@H](C)NC(=O)CCSCc4cc5CSCCNC(=O)[C@]6(C)CCCN6C(=O)[C@H](Cc6ccc(OC)cc6)NC(=O)[C@@H](NC(=O)[C@@H]6[C@@H]7CCN6C(=O)[C@H](Cc6cn(Cc8cn(nn8)-c(c5)c4)c4ccc(F)cc64)NC(=O)[C@H](Cc4cccc(C\C=C\CO7)c4)NC3=O)[C@H](C)O)[C@]1([H])NC(=O)N2 |r,t:119| | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
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| <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q |
More data for this
Ligand-Target Pair | |
Urokinase plasminogen activator surface receptor
(Homo sapiens (Human)) | BDBM50402364
(CHEMBL2206698)Show SMILES Nc1c(cc(-c2ccccc2)n1-c1ccc(Br)cc1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C23H17BrN4/c24-16-10-12-17(13-11-16)28-21(15-6-2-1-3-7-15)14-18(22(28)25)23-26-19-8-4-5-9-20(19)27-23/h1-14H,25H2,(H,26,27) | PDB
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| Article
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| 0.0110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Center
Curated by ChEMBL
| Assay Description
Binding affinity to uPAR |
Bioorg Med Chem 20: 6989-7001 (2012)
Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80 |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50581546
(CHEMBL5084416)Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:97| | PDB
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| 0.0114 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q |
More data for this
Ligand-Target Pair | |
Urokinase plasminogen activator surface receptor
(Homo sapiens (Human)) | BDBM50402365
(CHEMBL2206697)Show SMILES Nc1c(cc(-c2ccccc2)n1-c1cccc(Br)c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C23H17BrN4/c24-16-9-6-10-17(13-16)28-21(15-7-2-1-3-8-15)14-18(22(28)25)23-26-19-11-4-5-12-20(19)27-23/h1-14H,25H2,(H,26,27) | PDB
UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| 0.0120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Center
Curated by ChEMBL
| Assay Description
Binding affinity to uPAR |
Bioorg Med Chem 20: 6989-7001 (2012)
Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50194731
(Boc-Phe-psi[S-CH(OH)CH2]Phe-Gln-Phe-NH2 | CHEMBL26...)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C38H49N5O7/c1-38(2,3)50-37(49)43-30(22-26-15-9-5-10-16-26)32(44)24-28(21-25-13-7-4-8-14-25)35(47)41-29(19-20-33(39)45)36(48)42-31(34(40)46)23-27-17-11-6-12-18-27/h4-18,28-32,44H,19-24H2,1-3H3,(H2,39,45)(H2,40,46)(H,41,47)(H,42,48)(H,43,49)/t28-,29+,30+,31+,32+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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MMDB
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PC sid
UniChem
Similars
| MMDB
Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of wild type HIV1 protease |
J Med Chem 49: 5777-84 (2006)
Article DOI: 10.1021/jm0605583
BindingDB Entry DOI: 10.7270/Q2X63MK8 |
More data for this
Ligand-Target Pair | |
Urokinase plasminogen activator surface receptor
(Homo sapiens (Human)) | BDBM50402377
(CHEMBL2206687)Show InChI InChI=1S/C16H12N4/c17-11-13-10-14(12-6-2-1-3-7-12)20(16(13)18)15-8-4-5-9-19-15/h1-10H,18H2 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Center
Curated by ChEMBL
| Assay Description
Binding affinity to uPAR |
Bioorg Med Chem 20: 6989-7001 (2012)
Article DOI: 10.1016/j.bmc.2012.10.010
BindingDB Entry DOI: 10.7270/Q26W9C80 |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50581549
(CHEMBL5082483)Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C/CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,c:83| | PDB
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| 0.0370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q |
More data for this
Ligand-Target Pair | |
Protein kinase C eta type
(Homo sapiens (Human)) | BDBM50391386
(CHEMBL2148106)Show SMILES CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c1cccc(O)c1 |r| Show InChI InChI=1S/C32H48O10/c1-18(11-12-24(38-7)22-9-8-10-23(34)13-22)29-20(3)26-16-32(41-29)30(5,6)15-19(2)31(37,42-32)17-28(36)39-25(21(4)33)14-27(35)40-26/h8-10,13,18-21,24-26,29,33-34,37H,11-12,14-17H2,1-7H3/t18-,19+,20-,21+,24-,25+,26?,29+,31-,32-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PDBu binding to PKCeta C1B domain |
J Med Chem 55: 5614-26 (2012)
Article DOI: 10.1021/jm300566h
BindingDB Entry DOI: 10.7270/Q200036J |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM22416
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | PDB
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| DrugBank
PDB
Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting method |
Bioorg Med Chem 25: 293-304 (2017)
Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50391386
(CHEMBL2148106)Show SMILES CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c1cccc(O)c1 |r| Show InChI InChI=1S/C32H48O10/c1-18(11-12-24(38-7)22-9-8-10-23(34)13-22)29-20(3)26-16-32(41-29)30(5,6)15-19(2)31(37,42-32)17-28(36)39-25(21(4)33)14-27(35)40-26/h8-10,13,18-21,24-26,29,33-34,37H,11-12,14-17H2,1-7H3/t18-,19+,20-,21+,24-,25+,26?,29+,31-,32-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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PC cid
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UniChem
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PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PDBu binding to PKCtheta C1B domain |
J Med Chem 55: 5614-26 (2012)
Article DOI: 10.1021/jm300566h
BindingDB Entry DOI: 10.7270/Q200036J |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50581546
(CHEMBL5084416)Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:97| | PDB
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| >0.129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50581548
(CHEMBL5085124)Show SMILES [H][C@@]12CS[C@@H](CCCCC(=O)NCCOCCOCCC(=O)NC[C@@H]3NC(=O)[C@H](C)NC(=O)CCSCc4cc5CSCCNC(=O)[C@]6(C)CCCN6C(=O)[C@H](Cc6ccc(OC)cc6)NC(=O)[C@@H](NC(=O)[C@@H]6[C@@H]7CCN6C(=O)[C@H](Cc6cn(Cc8cn(nn8)-c(c5)c4)c4ccc(F)cc64)NC(=O)[C@H](Cc4cccc(C\C=C\CO7)c4)NC3=O)[C@H](C)O)[C@]1([H])NC(=O)N2 |r,t:119| | PDB
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| >0.129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50581544
(CHEMBL5086475)Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:83| | PDB
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| >0.129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50581545
(CHEMBL5084902)Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CNC(=O)CCOCCOCCN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:94| | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >0.129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50581547
(CHEMBL5081349)Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:97| | PDB
UniProtKB/SwissProt
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UniChem
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PubMed
| >0.129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM17350
((4S)-4-[(2S)-2-{[(2S,3S)-3-{[(tert-butoxy)carbonyl...)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C38H49N5O8/c1-38(2,3)51-37(50)43-29(21-25-13-7-4-8-14-25)32(44)24-40-31(23-27-17-11-6-12-18-27)36(49)41-28(19-20-33(45)46)35(48)42-30(34(39)47)22-26-15-9-5-10-16-26/h4-18,28-32,40,44H,19-24H2,1-3H3,(H2,39,47)(H,41,49)(H,42,48)(H,43,50)(H,45,46)/t28-,29-,30-,31-,32-/m0/s1 | PDB
MMDB
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B.MOAD
DrugBank
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| CHEMBL
MMDB
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PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of wild type HIV1 protease |
J Med Chem 49: 5777-84 (2006)
Article DOI: 10.1021/jm0605583
BindingDB Entry DOI: 10.7270/Q2X63MK8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dimer of Gag-Pol polyprotein [501-599]
(Human immunodeficiency virus type 1) | BDBM17350
((4S)-4-[(2S)-2-{[(2S,3S)-3-{[(tert-butoxy)carbonyl...)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C38H49N5O8/c1-38(2,3)51-37(50)43-29(21-25-13-7-4-8-14-25)32(44)24-40-31(23-27-17-11-6-12-18-27)36(49)41-28(19-20-33(45)46)35(48)42-30(34(39)47)22-26-15-9-5-10-16-26/h4-18,28-32,40,44H,19-24H2,1-3H3,(H2,39,47)(H,41,49)(H,42,48)(H,43,50)(H,45,46)/t28-,29-,30-,31-,32-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | 4.7 | n/a |
Academy of Sciences of the Czech Republic
| Assay Description
Inhibition constants were determined by a spectrophotometric assay with the chromogenic peptide substrate. |
J Med Chem 46: 1636-44 (2003)
Article DOI: 10.1021/jm021079g
BindingDB Entry DOI: 10.7270/Q29Z932M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50327943
(Aplysiatoxin | CHEMBL1256416)Show SMILES CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c1cc(O)ccc1Br |r| Show InChI InChI=1S/C32H47BrO10/c1-17(8-11-24(39-7)22-12-21(35)9-10-23(22)33)29-19(3)26-15-32(42-29)30(5,6)14-18(2)31(38,43-32)16-28(37)40-25(20(4)34)13-27(36)41-26/h9-10,12,17-20,24-26,29,34-35,38H,8,11,13-16H2,1-7H3/t17-,18+,19-,20+,24-,25+,26?,29+,31-,32-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PDBu binding to PKCtheta C1B peptide |
Bioorg Med Chem Lett 20: 6064-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.051
BindingDB Entry DOI: 10.7270/Q2FJ2H04 |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50581542
(CHEMBL5081587)Show SMILES CO[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(C\C=C\CO3)c2)NC(=O)[C@@H](CN)NC(=O)[C@H](C)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r,t:41| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q |
More data for this
Ligand-Target Pair | |
Protein kinase C beta type
(Homo sapiens (Human)) | BDBM50391386
(CHEMBL2148106)Show SMILES CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c1cccc(O)c1 |r| Show InChI InChI=1S/C32H48O10/c1-18(11-12-24(38-7)22-9-8-10-23(34)13-22)29-20(3)26-16-32(41-29)30(5,6)15-19(2)31(37,42-32)17-28(36)39-25(21(4)33)14-27(35)40-26/h8-10,13,18-21,24-26,29,33-34,37H,11-12,14-17H2,1-7H3/t18-,19+,20-,21+,24-,25+,26?,29+,31-,32-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PDBu binding to PKCbeta C1A domain |
J Med Chem 55: 5614-26 (2012)
Article DOI: 10.1021/jm300566h
BindingDB Entry DOI: 10.7270/Q200036J |
More data for this
Ligand-Target Pair | |
Protein kinase C eta type
(Homo sapiens (Human)) | BDBM50493217
(DEMETHOXYDEBROMOAPLYSIATOXIN)Show SMILES [H][C@]12C[C@]3(O[C@]([H])([C@@H](C)CCCc4cccc(O)c4)[C@H]1C)O[C@@](O)(CC(=O)O[C@]([H])(CC(=O)O2)[C@@H](C)O)[C@H](C)CC3(C)C |r| Show InChI InChI=1S/C31H46O9/c1-18(9-7-10-22-11-8-12-23(33)13-22)28-20(3)25-16-31(39-28)29(5,6)15-19(2)30(36,40-31)17-27(35)37-24(21(4)32)14-26(34)38-25/h8,11-13,18-21,24-25,28,32-33,36H,7,9-10,14-17H2,1-6H3/t18-,19+,20-,21+,24+,25-,28+,30-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu from PKCeta C1B domain (unknown origin) |
Bioorg Med Chem Lett 23: 4319-23 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.096
BindingDB Entry DOI: 10.7270/Q2VD72CX |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50493217
(DEMETHOXYDEBROMOAPLYSIATOXIN)Show SMILES [H][C@]12C[C@]3(O[C@]([H])([C@@H](C)CCCc4cccc(O)c4)[C@H]1C)O[C@@](O)(CC(=O)O[C@]([H])(CC(=O)O2)[C@@H](C)O)[C@H](C)CC3(C)C |r| Show InChI InChI=1S/C31H46O9/c1-18(9-7-10-22-11-8-12-23(33)13-22)28-20(3)25-16-31(39-28)29(5,6)15-19(2)30(36,40-31)17-27(35)37-24(21(4)32)14-26(34)38-25/h8,11-13,18-21,24-25,28,32-33,36H,7,9-10,14-17H2,1-6H3/t18-,19+,20-,21+,24+,25-,28+,30-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PDBu from PKCtheta C1B domain (unknown origin) |
Bioorg Med Chem Lett 23: 4319-23 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.096
BindingDB Entry DOI: 10.7270/Q2VD72CX |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50581542
(CHEMBL5081587)Show SMILES CO[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(C\C=C\CO3)c2)NC(=O)[C@@H](CN)NC(=O)[C@H](C)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r,t:41| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50391386
(CHEMBL2148106)Show SMILES CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c1cccc(O)c1 |r| Show InChI InChI=1S/C32H48O10/c1-18(11-12-24(38-7)22-9-8-10-23(34)13-22)29-20(3)26-16-32(41-29)30(5,6)15-19(2)31(37,42-32)17-28(36)39-25(21(4)33)14-27(35)40-26/h8-10,13,18-21,24-26,29,33-34,37H,11-12,14-17H2,1-7H3/t18-,19+,20-,21+,24-,25+,26?,29+,31-,32-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PDBu binding to PKCdelta C1B domain |
J Med Chem 55: 5614-26 (2012)
Article DOI: 10.1021/jm300566h
BindingDB Entry DOI: 10.7270/Q200036J |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50581540
(CHEMBL5087487)Show SMILES CO[C@@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(C\C=C\CO3)c2)NC(=O)[C@H](C)NC(=O)[C@H](CN)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r,t:41| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50581537
(CHEMBL5086286)Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@H](Cc3c[nH]c5ccc(F)cc35)NC(=O)[C@H](Cc3cccc(C\C=C\CO4)c3)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc3cccc(CSCCNC(=O)[C@]4(C)CCCN4C2=O)c3)[C@@H](C)O)cc1 |r,t:48| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50391386
(CHEMBL2148106)Show SMILES CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c1cccc(O)c1 |r| Show InChI InChI=1S/C32H48O10/c1-18(11-12-24(38-7)22-9-8-10-23(34)13-22)29-20(3)26-16-32(41-29)30(5,6)15-19(2)31(37,42-32)17-28(36)39-25(21(4)33)14-27(35)40-26/h8-10,13,18-21,24-26,29,33-34,37H,11-12,14-17H2,1-7H3/t18-,19+,20-,21+,24-,25+,26?,29+,31-,32-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PDBu binding to PKCalpha C1A domain |
J Med Chem 55: 5614-26 (2012)
Article DOI: 10.1021/jm300566h
BindingDB Entry DOI: 10.7270/Q200036J |
More data for this
Ligand-Target Pair | |
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