Found 213 hits with Last Name = 'yang' and Initial = 'jy' 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 |
|---|
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50370300
(CHEMBL4165149)Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C32H31N5O4S/c1-35(2)26-10-6-24(7-11-26)32(38)36-18-15-27(16-19-36)37-22-34-21-30(37)23-8-12-28(13-9-23)41-42(39,40)31-5-3-4-25-20-33-17-14-29(25)31/h3-14,17,20-22,27H,15-16,18-19H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X7 receptor in expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake |
Eur J Med Chem 151: 462-481 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB |
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652312
(US20240059675, Example 15)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nc(cn2c1)C(F)(F)F)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652310
(US20240059675, Example 13)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nc(cn2c1)C(C)(C)C)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652305
(US20240059675, Example 8)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nn(cc2c1)C(C)(C)C)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652305
(US20240059675, Example 8)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nn(cc2c1)C(C)(C)C)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652300
(US20240059675, Example 4)Show SMILES CC(C)Oc1cc(cnc1F)-c1nccc(C#N)c1N1CCC(CC1)c1nncn1C | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652363
(US20240059675, Example 32)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nn(cc2c1)C(C)(C)c1ccc(F)cc1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652363
(US20240059675, Example 32)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nn(cc2c1)C(C)(C)c1ccc(F)cc1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652324
(US20240059675, Example 26)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc(F)c(OCC2CC2)c1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652324
(US20240059675, Example 26)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc(F)c(OCC2CC2)c1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652318
(US20240059675, Example 21)Show SMILES Cn1cc2cc(cnc2n1)-c1nccc(C#N)c1N1CCC(F)(CC1)c1nncn1C | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652313
(US20240059675, Example 16)Show SMILES Cc1cc(C#N)c(N2CCC(F)(CC2)c2nncn2C)c(n1)-c1ccc(F)nc1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652312
(US20240059675, Example 15)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nc(cn2c1)C(F)(F)F)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652310
(US20240059675, Example 13)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nc(cn2c1)C(C)(C)C)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50370240
(CHEMBL4171354)Show SMILES Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC1C2CC3CC(C2)CC1C3 |TLB:26:25:29:22.21.20,26:21:24.25.27:29,THB:20:21:24:27.28.29,20:28:24:22.26.21,19:20:24.25.27:29,(15.67,-31.77,;24.66,-28.77,;23.32,-28.01,;21.99,-28.78,;20.65,-28.02,;19.32,-28.79,;17.98,-28.03,;16.65,-28.8,;15.32,-28.04,;13.99,-28.81,;13.99,-30.36,;12.65,-31.13,;11.32,-30.36,;9.99,-31.13,;11.32,-28.82,;12.65,-28.05,;9.99,-28.05,;9.99,-26.51,;8.65,-28.82,;7.32,-28.05,;5.99,-28.82,;5.98,-30.35,;4.58,-30.69,;3.25,-30.2,;2.06,-31.48,;3.56,-31.06,;4.96,-31.63,;3.55,-29.48,;4.59,-28.24,;3.24,-28.72,)| Show InChI InChI=1S/C24H35ClN2O2/c25-23-5-4-16(3-1-6-26-7-2-8-28)14-21(23)24(29)27-15-22-19-10-17-9-18(12-19)13-20(22)11-17/h4-5,14,17-20,22,26,28H,1-3,6-13,15H2,(H,27,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X7 receptor in expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake |
Eur J Med Chem 151: 462-481 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB |
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652298
(US20240059675, Example 2)Show SMILES Cn1cnnc1C1CCN(CC1)c1c(ccnc1-c1ccc(F)nc1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50370240
(CHEMBL4171354)Show SMILES Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC1C2CC3CC(C2)CC1C3 |TLB:26:25:29:22.21.20,26:21:24.25.27:29,THB:20:21:24:27.28.29,20:28:24:22.26.21,19:20:24.25.27:29,(15.67,-31.77,;24.66,-28.77,;23.32,-28.01,;21.99,-28.78,;20.65,-28.02,;19.32,-28.79,;17.98,-28.03,;16.65,-28.8,;15.32,-28.04,;13.99,-28.81,;13.99,-30.36,;12.65,-31.13,;11.32,-30.36,;9.99,-31.13,;11.32,-28.82,;12.65,-28.05,;9.99,-28.05,;9.99,-26.51,;8.65,-28.82,;7.32,-28.05,;5.99,-28.82,;5.98,-30.35,;4.58,-30.69,;3.25,-30.2,;2.06,-31.48,;3.56,-31.06,;4.96,-31.63,;3.55,-29.48,;4.59,-28.24,;3.24,-28.72,)| Show InChI InChI=1S/C24H35ClN2O2/c25-23-5-4-16(3-1-6-26-7-2-8-28)14-21(23)24(29)27-15-22-19-10-17-9-18(12-19)13-20(22)11-17/h4-5,14,17-20,22,26,28H,1-3,6-13,15H2,(H,27,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ... |
Eur J Med Chem 151: 462-481 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB |
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652297
(US20240059675, Example 1)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1ccc(F)nc1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652304
(US20240059675, Example 7)Show SMILES COc1cc(cnc1F)-c1nccc(C#N)c1N1CCC(F)(CC1)c1nncn1C | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652326
(US20240059675, Example 28)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc(F)c(OCC=C)c1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652303
(US20240059675, Example 6)Show SMILES Cc1cc(cnc1F)-c1nccc(C#N)c1N1CCC(F)(CC1)c1nncn1C | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652327
(US20240059675, Example 29)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nn(cc2c1)C(C)(C)C(F)(F)F)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652316
(US20240059675, Example 19)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cncc(c1)-n1cccn1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652328
(US20240059675, Example 30)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nn(cc2c1)C1(CC1)C(F)(F)F)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652328
(US20240059675, Example 30)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nn(cc2c1)C1(CC1)C(F)(F)F)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652330
(US20240059675, Example 31)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nn(cc2c1)C1(C)CC(F)(F)C1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652309
(US20240059675, Example 12)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nnc(n2c1)C(C)(C)C)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652299
(US20240059675, Example 3)Show SMILES Cn1cnnc1C1(C)CCN(CC1)c1c(ccnc1-c1ccc(F)nc1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652299
(US20240059675, Example 3)Show SMILES Cn1cnnc1C1(C)CCN(CC1)c1c(ccnc1-c1ccc(F)nc1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652309
(US20240059675, Example 12)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nnc(n2c1)C(C)(C)C)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652301
(US20240059675, Example 5)Show SMILES COc1cc(cnc1F)-c1nccc(C#N)c1N1CCC(CC1)c1nncn1C | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50370186
(CHEMBL4159914)Show SMILES OCc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:16:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C28H30N2O2/c31-17-18-4-6-22(7-5-18)24-9-8-23-25(29-24)2-1-3-26(23)30-27(32)16-28-13-19-10-20(14-28)12-21(11-19)15-28/h1-9,19-21,31H,10-17H2,(H,30,32) | PDB
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Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ... |
Eur J Med Chem 151: 462-481 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB |
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652330
(US20240059675, Example 31)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nn(cc2c1)C1(C)CC(F)(F)C1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652327
(US20240059675, Example 29)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc2nn(cc2c1)C(C)(C)C(F)(F)F)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652326
(US20240059675, Example 28)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc(F)c(OCC=C)c1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652325
(US20240059675, Example 27)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc(F)c(OC2CC2)c1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50370240
(CHEMBL4171354)Show SMILES Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC1C2CC3CC(C2)CC1C3 |TLB:26:25:29:22.21.20,26:21:24.25.27:29,THB:20:21:24:27.28.29,20:28:24:22.26.21,19:20:24.25.27:29,(15.67,-31.77,;24.66,-28.77,;23.32,-28.01,;21.99,-28.78,;20.65,-28.02,;19.32,-28.79,;17.98,-28.03,;16.65,-28.8,;15.32,-28.04,;13.99,-28.81,;13.99,-30.36,;12.65,-31.13,;11.32,-30.36,;9.99,-31.13,;11.32,-28.82,;12.65,-28.05,;9.99,-28.05,;9.99,-26.51,;8.65,-28.82,;7.32,-28.05,;5.99,-28.82,;5.98,-30.35,;4.58,-30.69,;3.25,-30.2,;2.06,-31.48,;3.56,-31.06,;4.96,-31.63,;3.55,-29.48,;4.59,-28.24,;3.24,-28.72,)| Show InChI InChI=1S/C24H35ClN2O2/c25-23-5-4-16(3-1-6-26-7-2-8-28)14-21(23)24(29)27-15-22-19-10-17-9-18(12-19)13-20(22)11-17/h4-5,14,17-20,22,26,28H,1-3,6-13,15H2,(H,27,29) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f... |
Eur J Med Chem 151: 462-481 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB |
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652318
(US20240059675, Example 21)Show SMILES Cn1cc2cc(cnc2n1)-c1nccc(C#N)c1N1CCC(F)(CC1)c1nncn1C | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
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| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652319
(US20240059675, Example 22)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1ccnnc1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652307
(US20240059675, Example 10)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(nccc1-c1ccc(F)nc1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50370305
(CHEMBL4175875)Show SMILES Clc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:9:10:13:17.15.16,THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16| Show InChI InChI=1S/C21H23ClN2O/c22-19-5-4-16-17(23-19)2-1-3-18(16)24-20(25)12-21-9-13-6-14(10-21)8-15(7-13)11-21/h1-5,13-15H,6-12H2,(H,24,25) | PDB
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UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| PC cid
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Similars
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PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ... |
Eur J Med Chem 151: 462-481 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB |
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652313
(US20240059675, Example 16)Show SMILES Cc1cc(C#N)c(N2CCC(F)(CC2)c2nncn2C)c(n1)-c1ccc(F)nc1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652306
(US20240059675, Example 9)Show SMILES Cn1cnnc1C1CCN(CC1)c1c(nccc1-c1ccc(F)nc1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652314
(US20240059675, Example 17)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(cc(nc1-c1ccc(F)nc1)C(F)(F)F)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652297
(US20240059675, Example 1)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1ccc(F)nc1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50352039
(CHEMBL1823817)Show SMILES COC[C@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O |r| Show InChI InChI=1S/C22H29ClN4O6/c1-33-13-16(28)12-26-19(29)11-25-27(21(26)31)15-6-7-18(23)17(10-15)20(30)24-14-22(32)8-4-2-3-5-9-22/h6-7,10-11,16,28,32H,2-5,8-9,12-14H2,1H3,(H,24,30)/t16-/m1/s1 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X7 receptor in expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake |
Eur J Med Chem 151: 462-481 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB |
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase
(Homo sapiens (Human)) | BDBM652325
(US20240059675, Example 27)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc(F)c(OC2CC2)c1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50370309
(CHEMBL4175330)Show SMILES Oc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22| Show InChI InChI=1S/C27H28N2O2/c30-21-6-4-20(5-7-21)23-9-8-22-24(28-23)2-1-3-25(22)29-26(31)16-27-13-17-10-18(14-27)12-19(11-17)15-27/h1-9,17-19,30H,10-16H2,(H,29,31) | PDB
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UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f... |
Eur J Med Chem 151: 462-481 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB |
More data for this
Ligand-Target Pair | |
Glutaminyl-peptide cyclotransferase-like protein
(Homo sapiens (Human)) | BDBM652320
(US20240059675, Example 23)Show SMILES Cn1cnnc1C1(F)CCN(CC1)c1c(ccnc1-c1cnc(F)c(F)c1)C#N | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50370305
(CHEMBL4175875)Show SMILES Clc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:9:10:13:17.15.16,THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16| Show InChI InChI=1S/C21H23ClN2O/c22-19-5-4-16-17(23-19)2-1-3-18(16)24-20(25)12-21-9-13-6-14(10-21)8-15(7-13)11-21/h1-5,13-15H,6-12H2,(H,24,25) | PDB
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UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f... |
Eur J Med Chem 151: 462-481 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB |
More data for this
Ligand-Target Pair | |
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