Found 130 hits Enz. Inhib. hit(s) with all data for entry = 50016370 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 1
(Homo sapiens (Human)) | BDBM526264
(US11185100, TABLE 14.4)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Cl)ncnc12 |r| | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2
(Homo sapiens (Human)) | BDBM50594500
(CHEMBL5202979)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12 |r| | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2/3
(Homo sapiens (Human)) | BDBM50594498
(CHEMBL4583478)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(S)ncnc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2
(Homo sapiens (Human)) | BDBM526264
(US11185100, TABLE 14.4)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Cl)ncnc12 |r| | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2/3
(Homo sapiens (Human)) | BDBM526264
(US11185100, TABLE 14.4)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Cl)ncnc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 129 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2/3
(Homo sapiens (Human)) | BDBM50594500
(CHEMBL5202979)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50594500
(CHEMBL5202979)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 209 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2/3
(Homo sapiens (Human)) | BDBM50318030
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-(methylamino)-9H...)Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H18N5O13P3/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(27-11)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 263 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2/3
(Homo sapiens (Human)) | BDBM50594502
(CHEMBL5200154)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c3nccn3cnc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 282 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2/3
(Homo sapiens (Human)) | BDBM50594496
(CHEMBL4582937)Show SMILES N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 363 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2
(Homo sapiens (Human)) | BDBM50594502
(CHEMBL5200154)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c3nccn3cnc12 |r| | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 417 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2/3
(Homo sapiens (Human)) | BDBM50594499
(CHEMBL5171786)Show SMILES CCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 692 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM526264
(US11185100, TABLE 14.4)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Cl)ncnc12 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 741 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50594500
(CHEMBL5202979)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12 |r| | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 891 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50594502
(CHEMBL5200154)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c3nccn3cnc12 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50318030
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-(methylamino)-9H...)Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H18N5O13P3/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(27-11)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Homo sapiens (Human)) | BDBM50594498
(CHEMBL4583478)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(S)ncnc12 |r| | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50594498
(CHEMBL4583478)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(S)ncnc12 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2/3
(Homo sapiens (Human)) | BDBM50594501
(CHEMBL5170304)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50594495
(CHEMBL4576110)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1F |r| | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2
(Homo sapiens (Human)) | BDBM50594501
(CHEMBL5170304)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r| | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50594496
(CHEMBL4582937)Show SMILES N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2/3
(Homo sapiens (Human)) | BDBM50594495
(CHEMBL4576110)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1F |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2
(Homo sapiens (Human)) | BDBM50594495
(CHEMBL4576110)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1F |r| | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50594506
(CHEMBL5183218)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OC(=O)c2cccc3ccccc23)[C@H]1OC(=O)c1cccc2ccccc12 |r| | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Homo sapiens (Human)) | BDBM50594496
(CHEMBL4582937)Show SMILES N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12 |r| | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2
(Homo sapiens (Human)) | BDBM50594506
(CHEMBL5183218)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OC(=O)c2cccc3ccccc23)[C@H]1OC(=O)c1cccc2ccccc12 |r| | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50594497
(CHEMBL4441501)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@@H]1O |r| | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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UniChem
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PubMed
| n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50594495
(CHEMBL4576110)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1F |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50594504
(CHEMBL5170556)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1c2ncncc2[nH]c1=O |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2/3
(Homo sapiens (Human)) | BDBM50594506
(CHEMBL5183218)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OC(=O)c2cccc3ccccc23)[C@H]1OC(=O)c1cccc2ccccc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
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DrugBank
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antibodypedia
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UniChem
| Article
PubMed
| n/a | n/a | 1.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Homo sapiens (Human)) | BDBM50594506
(CHEMBL5183218)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OC(=O)c2cccc3ccccc23)[C@H]1OC(=O)c1cccc2ccccc12 |r| | Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50594506
(CHEMBL5183218)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OC(=O)c2cccc3ccccc23)[C@H]1OC(=O)c1cccc2ccccc12 |r| | PDB
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| n/a | n/a | 1.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2
(Homo sapiens (Human)) | BDBM50594505
(CHEMBL5177316)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 |r| | UniProtKB/SwissProt
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50594499
(CHEMBL5171786)Show SMILES CCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| | PDB
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UniChem
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| n/a | n/a | 3.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Homo sapiens (Human)) | BDBM50594494
(CHEMBL5197509)Show SMILES COc1ccc(cc1)C(=O)O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1OC(=O)c1ccc(OC)cc1)n1cnc2c(N)ncnc12 |r| | Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Homo sapiens (Human)) | BDBM50594495
(CHEMBL4576110)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1F |r| | Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Homo sapiens (Human)) | BDBM50026197
(Adenosine 5'-triphosphate derivative | CHEMBL31428...)Show SMILES CO[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H18N5O13P3/c1-25-8-7(17)5(2-26-31(21,22)29-32(23,24)28-30(18,19)20)27-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20) | Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Homo sapiens (Human)) | BDBM50594497
(CHEMBL4441501)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@@H]1O |r| | Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Homo sapiens (Human)) | BDBM50318030
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-(methylamino)-9H...)Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H18N5O13P3/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(27-11)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 | Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Homo sapiens (Human)) | BDBM50594499
(CHEMBL5171786)Show SMILES CCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| | Reactome pathway
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UniChem
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PubMed
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Homo sapiens (Human)) | BDBM50594500
(CHEMBL5202979)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12 |r| | Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Homo sapiens (Human)) | BDBM50594501
(CHEMBL5170304)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r| | Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Homo sapiens (Human)) | BDBM50594502
(CHEMBL5200154)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c3nccn3cnc12 |r| | Reactome pathway
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UniChem
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Homo sapiens (Human)) | BDBM50594503
(CHEMBL4567276)Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(N=[N+]=[N-])nc12 |r| | Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Homo sapiens (Human)) | BDBM50594504
(CHEMBL5170556)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1c2ncncc2[nH]c1=O |r| | Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2
(Homo sapiens (Human)) | BDBM50594494
(CHEMBL5197509)Show SMILES COc1ccc(cc1)C(=O)O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1OC(=O)c1ccc(OC)cc1)n1cnc2c(N)ncnc12 |r| | UniProtKB/SwissProt
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2
(Homo sapiens (Human)) | BDBM50594496
(CHEMBL4582937)Show SMILES N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12 |r| | UniProtKB/SwissProt
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UniChem
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| n/a | n/a | <1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2
(Homo sapiens (Human)) | BDBM50026197
(Adenosine 5'-triphosphate derivative | CHEMBL31428...)Show SMILES CO[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H18N5O13P3/c1-25-8-7(17)5(2-26-31(21,22)29-32(23,24)28-30(18,19)20)27-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20) | UniProtKB/SwissProt
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2
(Homo sapiens (Human)) | BDBM50594497
(CHEMBL4441501)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@@H]1O |r| | UniProtKB/SwissProt
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
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