Found 140 hits with Last Name = 'xu' and Initial = 'll' 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 |
|---|
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50456168
(CHEMBL1800685)Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602122
(CHEMBL5208130)Show SMILES Cc1ccc(cc1)C(=O)Nc1cc(nn1Cc1ccc(F)cc1)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50456168
(CHEMBL1800685)Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602131
(CHEMBL5203559)Show SMILES CC(=O)c1ccc(cc1)C(=O)Nc1cc(nn1Cc1ccc(F)cc1)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602119
(CHEMBL5194881)Show SMILES Cc1ccc(cc1)C(=O)Nc1cc(nn1Cc1ccc(cc1)C(F)(F)F)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602108
(CHEMBL5182459)Show SMILES Cc1ccc(cc1)C(=O)Nc1cc(nn1Cc1cc(F)c(F)c(F)c1)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602109
(CHEMBL5175291)Show SMILES Cc1ccc(cc1)C(=O)Nc1cc(nn1Cc1ccc(F)c(F)c1)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602130
(CHEMBL5189241)Show SMILES CCc1ccc(cc1)C(=O)Nc1cc(nn1Cc1ccc(F)cc1)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602115
(CHEMBL5192153)Show SMILES Cc1ccc(cc1)C(=O)Nc1cc(nn1Cc1ccc(cc1)C#N)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602117
(CHEMBL5185002)Show SMILES Cc1ccc(cc1)C(=O)Nc1cc(nn1Cc1ccccc1C(F)(F)F)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602116
(CHEMBL5195243)Show SMILES Cc1ccc(cc1)C(=O)Nc1cc(nn1Cc1ccc(cc1)[N+]([O-])=O)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602121
(CHEMBL5203936)Show SMILES Cc1ccc(cc1)C(=O)Nc1cc(nn1Cc1cccc(F)c1)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602111
(CHEMBL5182261)Show SMILES Cc1ccc(cc1)C(=O)Nc1cc(nn1Cc1cc(C)cc(C)c1)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602125
(CHEMBL5208342)Show SMILES Cc1ccc(cc1)C(=O)Nc1cc(nn1Cc1ccc(Cl)cc1)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50155926
(CHEMBL3183703)Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23) | PDB
UniProtKB/SwissProt
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CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NLRP3 in mouse BMDMs |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01924
BindingDB Entry DOI: 10.7270/Q2ZW1QNV |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50155926
(CHEMBL3183703)Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23) | PDB
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CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NLRP3 in human monocyte-derived macrophages |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01924
BindingDB Entry DOI: 10.7270/Q2ZW1QNV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602132
(CHEMBL5169372)Show SMILES Cc1ccc(cc1)C(=O)Nc1cc(CC(O)=O)nn1Cc1ccc(F)cc1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50109368
(CHEMBL3601212)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccccc12 Show InChI InChI=1S/C30H28N4O10S2/c1-19(35)31-21-7-11-23(12-8-21)45(41,42)33(17-29(37)38)27-15-16-28(26-6-4-3-5-25(26)27)34(18-30(39)40)46(43,44)24-13-9-22(10-14-24)32-20(2)36/h3-16H,17-18H2,1-2H3,(H,31,35)(H,32,36)(H,37,38)(H,39,40) | PDB
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| 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 |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio... |
J Med Chem 58: 6410-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602118
(CHEMBL5183974)Show SMILES Cc1ccc(cc1)C(=O)Nc1cc(nn1Cc1cccc(c1)C(F)(F)F)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50109404
(CHEMBL3601208)Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(C)cc2)c2ccccc12 Show InChI InChI=1S/C28H26N2O8S2/c1-19-7-11-21(12-8-19)39(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)40(37,38)22-13-9-20(2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34) | PDB
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PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio... |
J Med Chem 58: 6410-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50006932
(CHEMBL3237245)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34) | PDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio... |
J Med Chem 58: 6410-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50109371
(CHEMBL3601215)Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccccc2)c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H22N2O8S2/c29-25(30)17-27(37(33,34)19-9-3-1-4-10-19)23-15-16-24(22-14-8-7-13-21(22)23)28(18-26(31)32)38(35,36)20-11-5-2-6-12-20/h1-16H,17-18H2,(H,29,30)(H,31,32) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio... |
J Med Chem 58: 6410-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50109367
(CHEMBL3601211)Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(Br)cc2)c2ccccc12)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C26H20Br2N2O8S2/c27-17-5-9-19(10-6-17)39(35,36)29(15-25(31)32)23-13-14-24(22-4-2-1-3-21(22)23)30(16-26(33)34)40(37,38)20-11-7-18(28)8-12-20/h1-14H,15-16H2,(H,31,32)(H,33,34) | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio... |
J Med Chem 58: 6410-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50274497
(CHEMBL4127627)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C78H113Cl2N20O27P/c1-10-36(4)61(74(119)92-51(27-42-15-18-45(104)19-16-42)68(113)86-37(5)65(110)89-49(64(83)109)30-59(82)106)96-66(111)38(6)87-76(121)63(40(8)127-128(124,125)126)98-72(117)55(33-101)95-71(116)53(29-44-32-84-34-85-44)90-69(114)50(25-35(2)3)91-73(118)56-13-11-23-99(56)78(123)57-14-12-24-100(57)77(122)54(31-60(107)108)94-70(115)52(28-43-17-20-46(79)47(80)26-43)93-75(120)62(39(7)102)97-67(112)48(88-41(9)103)21-22-58(81)105/h15-20,26,32,34-40,48-57,61-63,101-102,104H,10-14,21-25,27-31,33H2,1-9H3,(H2,81,105)(H2,82,106)(H2,83,109)(H,84,85)(H,86,113)(H,87,121)(H,88,103)(H,89,110)(H,90,114)(H,91,118)(H,92,119)(H,93,120)(H,94,115)(H,95,116)(H,96,111)(H,97,112)(H,98,117)(H,107,108)(H2,124,125,126)/t36-,37-,38-,39+,40+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,61-,62-,63-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of FITC-GPMQSpTPLNG-OH binding to Plk1 PBD (unknown origin) after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 26: 3429-3437 (2018)
Article DOI: 10.1016/j.bmc.2018.05.014
BindingDB Entry DOI: 10.7270/Q2CC1364 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602110
(CHEMBL5205552)Show SMILES Cc1ccc(cc1)C(=O)Nc1cc(nn1Cc1cc(F)cc(F)c1)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50109366
(CHEMBL3601210)Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H20Cl2N2O8S2/c27-17-5-9-19(10-6-17)39(35,36)29(15-25(31)32)23-13-14-24(22-4-2-1-3-21(22)23)30(16-26(33)34)40(37,38)20-11-7-18(28)8-12-20/h1-14H,15-16H2,(H,31,32)(H,33,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio... |
J Med Chem 58: 6410-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50109396
(CHEMBL3601221)Show SMILES CCCCc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(CCCC)cc2)c2ccccc12 Show InChI InChI=1S/C34H38N2O8S2/c1-3-5-9-25-13-17-27(18-14-25)45(41,42)35(23-33(37)38)31-21-22-32(30-12-8-7-11-29(30)31)36(24-34(39)40)46(43,44)28-19-15-26(16-20-28)10-6-4-2/h7-8,11-22H,3-6,9-10,23-24H2,1-2H3,(H,37,38)(H,39,40) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio... |
J Med Chem 58: 6410-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50109392
(CHEMBL3601217)Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2cccc3ccccc23)c2ccccc12)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C34H26N2O8S2/c37-33(38)21-35(45(41,42)31-17-7-11-23-9-1-3-13-25(23)31)29-19-20-30(28-16-6-5-15-27(28)29)36(22-34(39)40)46(43,44)32-18-8-12-24-10-2-4-14-26(24)32/h1-20H,21-22H2,(H,37,38)(H,39,40) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio... |
J Med Chem 58: 6410-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50109369
(CHEMBL3601213)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(cc2)C(C)(C)C)c2ccccc12 Show InChI InChI=1S/C34H38N2O8S2/c1-33(2,3)23-11-15-25(16-12-23)45(41,42)35(21-31(37)38)29-19-20-30(28-10-8-7-9-27(28)29)36(22-32(39)40)46(43,44)26-17-13-24(14-18-26)34(4,5)6/h7-20H,21-22H2,1-6H3,(H,37,38)(H,39,40) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio... |
J Med Chem 58: 6410-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50109365
(CHEMBL3601209)Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(F)cc2)c2ccccc12)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C26H20F2N2O8S2/c27-17-5-9-19(10-6-17)39(35,36)29(15-25(31)32)23-13-14-24(22-4-2-1-3-21(22)23)30(16-26(33)34)40(37,38)20-11-7-18(28)8-12-20/h1-14H,15-16H2,(H,31,32)(H,33,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio... |
J Med Chem 58: 6410-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602113
(CHEMBL5203764)Show SMILES COc1cccc(Cn2nc(cc2NC(=O)c2ccc(C)cc2)C(O)=O)c1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50274495
(CHEMBL4126401)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C74H105Cl2N19O22/c1-9-35(4)59(71(114)89-49(26-40-14-17-43(99)18-15-40)65(108)82-36(5)62(105)85-47(61(79)104)29-57(78)101)92-63(106)37(6)83-72(115)60(38(7)97)93-69(112)53(32-96)91-68(111)51(28-42-31-80-33-81-42)87-66(109)48(24-34(2)3)88-70(113)54-12-10-22-94(54)74(117)55-13-11-23-95(55)73(116)52(30-58(102)103)90-67(110)50(27-41-16-19-44(75)45(76)25-41)86-64(107)46(84-39(8)98)20-21-56(77)100/h14-19,25,31,33-38,46-55,59-60,96-97,99H,9-13,20-24,26-30,32H2,1-8H3,(H2,77,100)(H2,78,101)(H2,79,104)(H,80,81)(H,82,108)(H,83,115)(H,84,98)(H,85,105)(H,86,107)(H,87,109)(H,88,113)(H,89,114)(H,90,110)(H,91,111)(H,92,106)(H,93,112)(H,102,103)/t35-,36-,37-,38+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-,60-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of FITC-GPMQSpTPLNG-OH binding to Plk1 PBD (unknown origin) after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 26: 3429-3437 (2018)
Article DOI: 10.1016/j.bmc.2018.05.014
BindingDB Entry DOI: 10.7270/Q2CC1364 |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50109394
(CHEMBL3601219)Show SMILES COc1cccc(c1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2cccc(OC)c2)c2ccccc12 Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-5-9-21(15-19)41(35,36)29(17-27(31)32)25-13-14-26(24-12-4-3-11-23(24)25)30(18-28(33)34)42(37,38)22-10-6-8-20(16-22)40-2/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio... |
J Med Chem 58: 6410-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602114
(CHEMBL5188038)Show SMILES CC(=O)c1ccc(Cn2nc(cc2NC(=O)c2ccc(C)cc2)C(O)=O)cc1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50274494
(CHEMBL4128878)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C78H114N21O29P/c1-10-37(4)61(74(118)90-51(29-44-17-21-47(103)22-18-44)68(112)84-38(5)65(109)87-49(64(81)108)31-59(80)105)94-66(110)39(6)85-76(120)63(41(8)128-129(125,126)127)96-72(116)55(34-100)93-71(115)53(30-45-33-82-35-83-45)88-69(113)50(27-36(2)3)89-73(117)56-13-11-25-97(56)78(122)57-14-12-26-98(57)77(121)54(32-60(106)107)92-70(114)52(28-43-15-19-46(20-16-43)99(123)124)91-75(119)62(40(7)101)95-67(111)48(86-42(9)102)23-24-58(79)104/h15-22,33,35-41,48-57,61-63,100-101,103H,10-14,23-32,34H2,1-9H3,(H2,79,104)(H2,80,105)(H2,81,108)(H,82,83)(H,84,112)(H,85,120)(H,86,102)(H,87,109)(H,88,113)(H,89,117)(H,90,118)(H,91,119)(H,92,114)(H,93,115)(H,94,110)(H,95,111)(H,96,116)(H,106,107)(H2,125,126,127)/t37-,38-,39-,40+,41+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,61-,62-,63-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of FITC-GPMQSpTPLNG-OH binding to Plk1 PBD (unknown origin) after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 26: 3429-3437 (2018)
Article DOI: 10.1016/j.bmc.2018.05.014
BindingDB Entry DOI: 10.7270/Q2CC1364 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50274500
(CHEMBL4126831)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C78H114FN20O27P/c1-10-37(4)61(74(118)91-51(29-44-17-21-47(103)22-18-44)68(112)85-38(5)65(109)88-49(64(82)108)31-59(81)105)95-66(110)39(6)86-76(120)63(41(8)126-127(123,124)125)97-72(116)55(34-100)94-71(115)53(30-46-33-83-35-84-46)89-69(113)50(27-36(2)3)90-73(117)56-13-11-25-98(56)78(122)57-14-12-26-99(57)77(121)54(32-60(106)107)93-70(114)52(28-43-15-19-45(79)20-16-43)92-75(119)62(40(7)101)96-67(111)48(87-42(9)102)23-24-58(80)104/h15-22,33,35-41,48-57,61-63,100-101,103H,10-14,23-32,34H2,1-9H3,(H2,80,104)(H2,81,105)(H2,82,108)(H,83,84)(H,85,112)(H,86,120)(H,87,102)(H,88,109)(H,89,113)(H,90,117)(H,91,118)(H,92,119)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,116)(H,106,107)(H2,123,124,125)/t37-,38-,39-,40+,41+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,61-,62-,63-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of FITC-GPMQSpTPLNG-OH binding to Plk1 PBD (unknown origin) after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 26: 3429-3437 (2018)
Article DOI: 10.1016/j.bmc.2018.05.014
BindingDB Entry DOI: 10.7270/Q2CC1364 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50274517
(CHEMBL4129028)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C73H105Cl2N18O25P/c1-10-34(4)57(69(110)86-48(25-40-15-18-43(97)19-16-40)63(104)80-35(5)61(102)83-46(60(77)101)28-55(76)98)90-62(103)36(6)81-71(112)59(38(8)118-119(115,116)117)91-67(108)52(31-94)89-66(107)50(27-42-30-78-32-79-42)84-64(105)47(23-33(2)3)85-68(109)53-13-11-21-92(53)73(114)54-14-12-22-93(54)72(113)51(29-56(99)100)88-65(106)49(26-41-17-20-44(74)45(75)24-41)87-70(111)58(37(7)95)82-39(9)96/h15-20,24,30,32-38,46-54,57-59,94-95,97H,10-14,21-23,25-29,31H2,1-9H3,(H2,76,98)(H2,77,101)(H,78,79)(H,80,104)(H,81,112)(H,82,96)(H,83,102)(H,84,105)(H,85,109)(H,86,110)(H,87,111)(H,88,106)(H,89,107)(H,90,103)(H,91,108)(H,99,100)(H2,115,116,117)/t34-,35-,36-,37+,38+,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-,59-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of FITC-GPMQSpTPLNG-OH binding to Plk1 PBD (unknown origin) after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 26: 3429-3437 (2018)
Article DOI: 10.1016/j.bmc.2018.05.014
BindingDB Entry DOI: 10.7270/Q2CC1364 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50274496
(CHEMBL4127785)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(C)=O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C69H98Cl2N17O23P/c1-9-33(4)55(66(104)82-47(24-38-14-17-41(91)18-15-38)60(98)76-34(5)58(96)79-44(57(73)95)27-53(72)92)85-59(97)35(6)77-67(105)56(36(7)111-112(108,109)110)86-64(102)50(30-89)84-63(101)48(26-40-29-74-31-75-40)80-61(99)45(22-32(2)3)81-65(103)51-12-10-20-87(51)69(107)52-13-11-21-88(52)68(106)49(28-54(93)94)83-62(100)46(78-37(8)90)25-39-16-19-42(70)43(71)23-39/h14-19,23,29,31-36,44-52,55-56,89,91H,9-13,20-22,24-28,30H2,1-8H3,(H2,72,92)(H2,73,95)(H,74,75)(H,76,98)(H,77,105)(H,78,90)(H,79,96)(H,80,99)(H,81,103)(H,82,104)(H,83,100)(H,84,101)(H,85,97)(H,86,102)(H,93,94)(H2,108,109,110)/t33-,34-,35-,36+,44-,45-,46-,47-,48-,49-,50-,51-,52-,55-,56-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of FITC-GPMQSpTPLNG-OH binding to Plk1 PBD (unknown origin) after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 26: 3429-3437 (2018)
Article DOI: 10.1016/j.bmc.2018.05.014
BindingDB Entry DOI: 10.7270/Q2CC1364 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50274499
(CHEMBL4130094)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C78H114ClN20O27P/c1-10-37(4)61(74(118)91-51(29-44-17-21-47(103)22-18-44)68(112)85-38(5)65(109)88-49(64(82)108)31-59(81)105)95-66(110)39(6)86-76(120)63(41(8)126-127(123,124)125)97-72(116)55(34-100)94-71(115)53(30-46-33-83-35-84-46)89-69(113)50(27-36(2)3)90-73(117)56-13-11-25-98(56)78(122)57-14-12-26-99(57)77(121)54(32-60(106)107)93-70(114)52(28-43-15-19-45(79)20-16-43)92-75(119)62(40(7)101)96-67(111)48(87-42(9)102)23-24-58(80)104/h15-22,33,35-41,48-57,61-63,100-101,103H,10-14,23-32,34H2,1-9H3,(H2,80,104)(H2,81,105)(H2,82,108)(H,83,84)(H,85,112)(H,86,120)(H,87,102)(H,88,109)(H,89,113)(H,90,117)(H,91,118)(H,92,119)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,116)(H,106,107)(H2,123,124,125)/t37-,38-,39-,40+,41+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,61-,62-,63-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of FITC-GPMQSpTPLNG-OH binding to Plk1 PBD (unknown origin) after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 26: 3429-3437 (2018)
Article DOI: 10.1016/j.bmc.2018.05.014
BindingDB Entry DOI: 10.7270/Q2CC1364 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602128
(CHEMBL5209515) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602120
(CHEMBL5181115) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50109395
(CHEMBL3601220)Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(cc2)C#N)c2ccccc12)S(=O)(=O)c1ccc(cc1)C#N Show InChI InChI=1S/C28H20N4O8S2/c29-15-19-5-9-21(10-6-19)41(37,38)31(17-27(33)34)25-13-14-26(24-4-2-1-3-23(24)25)32(18-28(35)36)42(39,40)22-11-7-20(16-30)8-12-22/h1-14H,17-18H2,(H,33,34)(H,35,36) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 118 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio... |
J Med Chem 58: 6410-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50109393
(CHEMBL3601218)Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(cc2)C(F)(F)F)c2ccccc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H20F6N2O8S2/c29-27(30,31)17-5-9-19(10-6-17)45(41,42)35(15-25(37)38)23-13-14-24(22-4-2-1-3-21(22)23)36(16-26(39)40)46(43,44)20-11-7-18(8-12-20)28(32,33)34/h1-14H,15-16H2,(H,37,38)(H,39,40) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 122 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio... |
J Med Chem 58: 6410-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602127
(CHEMBL5189945) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 136 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602126
(CHEMBL5170216) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 171 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50109372
(CHEMBL3601216)Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H20F6N2O10S2/c29-27(30,31)45-17-5-9-19(10-6-17)47(41,42)35(15-25(37)38)23-13-14-24(22-4-2-1-3-21(22)23)36(16-26(39)40)48(43,44)20-11-7-18(8-12-20)46-28(32,33)34/h1-14H,15-16H2,(H,37,38)(H,39,40) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 179 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio... |
J Med Chem 58: 6410-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602124
(CHEMBL5189099)Show SMILES Cc1ccc(cc1)C(=O)Nc1cc(nn1Cc1cccc(Cl)c1)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 227 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50602123
(CHEMBL5194765)Show SMILES Cc1ccc(cc1)C(=O)Nc1cc(nn1Cc1ccccc1Cl)C(O)=O | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50274498
(CHEMBL4127365)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C69H100N17O23P/c1-9-35(4)55(66(102)80-47(27-41-19-21-43(89)22-20-41)60(96)74-36(5)58(94)77-44(57(71)93)29-53(70)90)83-59(95)37(6)75-67(103)56(38(7)109-110(106,107)108)84-64(100)50(32-87)82-63(99)48(28-42-31-72-33-73-42)78-61(97)45(25-34(2)3)79-65(101)51-17-13-23-85(51)69(105)52-18-14-24-86(52)68(104)49(30-54(91)92)81-62(98)46(76-39(8)88)26-40-15-11-10-12-16-40/h10-12,15-16,19-22,31,33-38,44-52,55-56,87,89H,9,13-14,17-18,23-30,32H2,1-8H3,(H2,70,90)(H2,71,93)(H,72,73)(H,74,96)(H,75,103)(H,76,88)(H,77,94)(H,78,97)(H,79,101)(H,80,102)(H,81,98)(H,82,99)(H,83,95)(H,84,100)(H,91,92)(H2,106,107,108)/t35-,36-,37-,38+,44-,45-,46-,47-,48-,49-,50-,51-,52-,55-,56-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 283 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of FITC-GPMQSpTPLNG-OH binding to Plk1 PBD (unknown origin) after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 26: 3429-3437 (2018)
Article DOI: 10.1016/j.bmc.2018.05.014
BindingDB Entry DOI: 10.7270/Q2CC1364 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429537
(CHEMBL2333770)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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