Found 80 hits with Last Name = 'buon' and Initial = 'c' 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 |
|---|
G protein-activated inward rectifier potassium channel 4
(Homo sapiens (Human)) | BDBM50613996
(CHEMBL5281961)Show SMILES COc1cc(Cl)c(c(Cl)c1)-n1c(C)cc(=O)c2c(F)cncc12 |(-.67,5.77,;.66,5,;.66,3.46,;-.67,2.69,;-.67,1.16,;-2.01,.39,;.66,.39,;2,1.16,;3.33,.39,;1.99,2.7,;.66,-1.15,;2,-1.92,;3.33,-1.15,;2,-3.46,;.66,-4.23,;.66,-5.77,;-.67,-3.46,;-2,-4.23,;-2,-5.77,;-3.33,-3.47,;-3.33,-1.92,;-2,-1.15,;-.67,-1.92,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
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 | |
G protein-activated inward rectifier potassium channel 4
(Homo sapiens (Human)) | BDBM585727
(8-chloro-1-(2,6-dichlorophenyl)-5- (2-hydroxyethox...)Show SMILES Cc1cc(=O)c2c(OCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4,1.07,;2.67,.3,;2.67,-1.24,;1.33,-2.01,;1.33,-3.55,;,-1.24,;-1.33,-2.01,;-1.33,-3.55,;-2.67,-4.32,;-2.67,-5.86,;-4,-6.63,;-2.67,-1.24,;-2.67,.3,;-1.33,1.07,;-1.33,2.61,;,.3,;1.33,1.07,;1.33,3.55,;2.67,4.32,;4,3.55,;2.67,5.86,;1.33,6.63,;,5.86,;,4.32,;-1.33,3.55,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
G protein-activated inward rectifier potassium channel 4
(Homo sapiens (Human)) | BDBM50613997
(CHEMBL5280047)Show SMILES Cc1cc(=O)c2c(F)cncc2n1-c1c(Cl)cc(OCC(O)CO)cc1Cl |(3.33,-3.08,;2,-3.85,;2,-5.39,;.66,-6.16,;.66,-7.7,;-.67,-5.39,;-2,-6.16,;-2,-7.7,;-3.33,-5.4,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.66,-3.08,;.66,-1.54,;-.67,-.77,;-2.01,-1.54,;-.67,.77,;.66,1.54,;.66,3.08,;-.67,3.85,;-.67,5.39,;.66,6.16,;-2,6.16,;-2,7.7,;1.99,.77,;2,-.76,;3.33,-1.53,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 11 | 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 3
(Homo sapiens (Human)) | BDBM50379718
(CHEMBL2011127)Show SMILES CC(C)N1Cc2c(nc(nc2N(C)Cc2cc3ccccc3cn2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C26H31N7O2/c1-17(2)33-16-22-23(25(33)35)28-26(32-11-9-31(10-12-32)18(3)34)29-24(22)30(4)15-21-13-19-7-5-6-8-20(19)14-27-21/h5-8,13-14,17H,9-12,15-16H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379717
(CHEMBL2011126)Show SMILES CC(C)N1Cc2c(nc(nc2NCc2cc3ccccc3cn2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C25H29N7O2/c1-16(2)32-15-21-22(24(32)34)28-25(31-10-8-30(9-11-31)17(3)33)29-23(21)27-14-20-12-18-6-4-5-7-19(18)13-26-20/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379716
(CHEMBL2011125)Show SMILES CC(C)N1Cc2c(nc(nc2NCc2cnc3ccccc3c2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C25H29N7O2/c1-16(2)32-15-20-22(24(32)34)28-25(31-10-8-30(9-11-31)17(3)33)29-23(20)27-14-18-12-19-6-4-5-7-21(19)26-13-18/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
G protein-activated inward rectifier potassium channel 4
(Homo sapiens (Human)) | BDBM585709
(8-chloro-1-(2,6-dichlorophenyl)-5- (2-(2-(2-(2- hy...)Show SMILES Cc1cc(=O)c2c(OCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(12.06,-4.58,;10.73,-3.81,;9.39,-4.58,;8.06,-3.81,;6.73,-4.58,;8.06,-2.27,;6.73,-1.5,;5.39,-2.27,;4.06,-1.5,;2.72,-2.27,;1.39,-1.5,;.06,-2.27,;-1.28,-1.5,;-2.61,-2.27,;-3.94,-1.5,;-5.28,-2.27,;-6.61,-1.5,;-7.94,-2.27,;-9.28,-1.5,;-10.61,-2.27,;6.73,.04,;8.06,.81,;9.39,.04,;10.73,.81,;9.39,-1.5,;10.73,-2.27,;12.06,-1.5,;13.39,-2.27,;13.39,-3.81,;14.73,-1.5,;14.73,.04,;13.39,.81,;12.06,.04,;11.43,1.45,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
G protein-activated inward rectifier potassium channel 4
(Homo sapiens (Human)) | BDBM50613999
(CHEMBL5289977)Show SMILES COc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-1.33,-5,;-2.66,-4.23,;-2.66,-2.69,;-4,-1.93,;-4,-.38,;-2.67,.39,;-1.89,1.72,;-1.34,-.38,;-0,.39,;1.33,-.38,;2.66,.39,;4,-.38,;1.33,-1.92,;-0,-2.69,;-0,-4.23,;-1.34,-1.92,;-0,1.93,;-1.34,2.7,;-2.67,1.93,;-1.33,4.23,;-0,5,;1.33,4.24,;1.34,2.7,;2.67,1.93,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 27 | 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 3
(Homo sapiens (Human)) | BDBM50379714
(CHEMBL2011123)Show SMILES CCOc1ccc(cc1F)[C@@H](C)Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C25H33FN6O3/c1-6-35-21-8-7-18(13-20(21)26)16(4)27-23-19-14-32(15(2)3)24(34)22(19)28-25(29-23)31-11-9-30(10-12-31)17(5)33/h7-8,13,15-16H,6,9-12,14H2,1-5H3,(H,27,28,29)/t16-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
G protein-activated inward rectifier potassium channel 4
(Homo sapiens (Human)) | BDBM50613992
(CHEMBL5282689)Show SMILES CSc1c(C#N)c(=O)c2ccc(F)cc2n1-c1c(Cl)cccc1Cl |(4.67,-.77,;3.33,0,;2,-.77,;2,-2.31,;3.33,-3.08,;4.67,-3.85,;.66,-3.08,;.66,-4.62,;-.67,-2.31,;-1.99,-3.08,;-3.33,-2.31,;-3.33,-.77,;-4.67,0,;-2,0,;-.67,-.77,;.66,0,;.66,1.54,;-.67,2.31,;-2,1.54,;-.67,3.85,;.67,4.62,;2,3.85,;2,2.32,;3.34,1.55,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 50 | 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 3
(Homo sapiens (Human)) | BDBM50379707
(CHEMBL2011112)Show SMILES CC(C)N1Cc2c(nc(nc2NC(C)(C)Cc2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C25H33ClN6O2/c1-16(2)32-15-20-21(23(32)34)27-24(31-12-10-30(11-13-31)17(3)33)28-22(20)29-25(4,5)14-18-6-8-19(26)9-7-18/h6-9,16H,10-15H2,1-5H3,(H,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379719
(CHEMBL2011118)Show SMILES CC(C)N1Cc2c(nc(nc2N[C@H](C)c2ccc(OC(F)(F)F)cc2)N2CCN(CC2)C(C)=O)C1=O |r| Show InChI InChI=1S/C24H29F3N6O3/c1-14(2)33-13-19-20(22(33)35)29-23(32-11-9-31(10-12-32)16(4)34)30-21(19)28-15(3)17-5-7-18(8-6-17)36-24(25,26)27/h5-8,14-15H,9-13H2,1-4H3,(H,28,29,30)/t15-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379736
(CHEMBL2011116)Show SMILES COc1cc(OC(F)(F)F)ccc1CNc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H29F3N6O4/c1-14(2)33-13-18-20(22(33)35)29-23(32-9-7-31(8-10-32)15(3)34)30-21(18)28-12-16-5-6-17(11-19(16)36-4)37-24(25,26)27/h5-6,11,14H,7-10,12-13H2,1-4H3,(H,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379711
(CHEMBL2011120)Show SMILES CCOc1ccc(cc1)[C@@H](C)Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C25H34N6O3/c1-6-34-20-9-7-19(8-10-20)17(4)26-23-21-15-31(16(2)3)24(33)22(21)27-25(28-23)30-13-11-29(12-14-30)18(5)32/h7-10,16-17H,6,11-15H2,1-5H3,(H,26,27,28)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
G protein-activated inward rectifier potassium channel 4
(Homo sapiens (Human)) | BDBM585682
(8-chloro-1-(2,6-dichlorophenyl)-5- (2,3-dihydroxyp...)Show SMILES OCC(O)COc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-3.78,-7.53,;-4.55,-6.2,;-3.46,-5.11,;-2.12,-5.88,;-3.46,-3.57,;-2.12,-2.8,;-2.12,-1.26,;-3.46,-.49,;-3.46,1.05,;-2.12,1.82,;-2.12,3.36,;-.79,1.05,;.54,1.82,;1.88,1.05,;3.21,1.82,;4.55,1.05,;1.88,-.49,;.54,-1.26,;.54,-2.8,;-.79,-.49,;.54,4.45,;-.79,5.22,;-2.12,4.45,;-.79,6.76,;.54,7.53,;1.88,6.76,;1.88,5.22,;3.21,4.45,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
G protein-activated inward rectifier potassium channel 4
(Homo sapiens (Human)) | BDBM50614001
(CHEMBL5278366)Show SMILES Cc1cc(=O)c2c(OCC(O)CC(O)CO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(3.33,3.47,;2,2.7,;2,1.16,;.66,.39,;.66,-1.15,;-.67,1.16,;-2,.39,;-2,-1.15,;-.66,-1.92,;-.66,-3.46,;-2,-4.23,;.67,-4.23,;.67,-5.77,;-.66,-6.54,;2,-6.54,;2,-8.08,;-3.33,1.15,;-3.33,2.7,;-2,3.47,;-1.23,4.8,;-.67,2.7,;.66,3.47,;.66,5.01,;-.67,5.78,;-2.01,5.01,;-.67,7.31,;.66,8.08,;1.99,7.32,;2,5.78,;3.33,5.01,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
G protein-activated inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM585681
((R)-8-chloro-1-(2,6- dichlorophenyl)-5-(2,3- dihyd...)Show SMILES OC[C@@H](O)COc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |r,wD:2.2,(-3.78,-7.53,;-4.55,-6.2,;-3.46,-5.11,;-2.12,-5.88,;-3.46,-3.57,;-2.12,-2.8,;-2.12,-1.26,;-3.46,-.49,;-3.46,1.05,;-2.12,1.82,;-2.12,3.36,;-.79,1.05,;.54,1.82,;1.88,1.05,;3.21,1.82,;4.55,1.05,;1.88,-.49,;.54,-1.26,;.54,-2.8,;-.79,-.49,;.54,4.45,;-.79,5.22,;-2.12,4.45,;-.79,6.76,;.54,7.53,;1.88,6.76,;1.88,5.22,;3.21,4.45,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
G protein-activated inward rectifier potassium channel 4
(Homo sapiens (Human)) | BDBM50614002
(CHEMBL5285569)Show SMILES CS(=O)(=O)CCCOc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-6.66,-5,;-5.33,-4.23,;-4.56,-2.9,;-6.1,-2.9,;-4,-5,;-2.66,-4.23,;-1.33,-5,;0,-4.23,;0,-2.69,;-1.33,-1.93,;-1.33,-.38,;0,.38,;.77,1.72,;1.33,-.38,;2.66,.39,;4,-.38,;5.33,.39,;6.66,-.38,;4,-1.92,;2.66,-2.69,;2.66,-4.23,;1.33,-1.92,;2.66,1.93,;4,2.7,;5.34,1.93,;3.99,4.24,;2.66,5,;1.33,4.23,;1.33,2.7,;-0,1.93,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
G protein-activated inward rectifier potassium channel 4
(Homo sapiens (Human)) | BDBM585681
((R)-8-chloro-1-(2,6- dichlorophenyl)-5-(2,3- dihyd...)Show SMILES OC[C@@H](O)COc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |r,wD:2.2,(-3.78,-7.53,;-4.55,-6.2,;-3.46,-5.11,;-2.12,-5.88,;-3.46,-3.57,;-2.12,-2.8,;-2.12,-1.26,;-3.46,-.49,;-3.46,1.05,;-2.12,1.82,;-2.12,3.36,;-.79,1.05,;.54,1.82,;1.88,1.05,;3.21,1.82,;4.55,1.05,;1.88,-.49,;.54,-1.26,;.54,-2.8,;-.79,-.49,;.54,4.45,;-.79,5.22,;-2.12,4.45,;-.79,6.76,;.54,7.53,;1.88,6.76,;1.88,5.22,;3.21,4.45,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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| PC cid
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| | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
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More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379713
(CHEMBL2011122)Show SMILES CCOc1ccc(cc1)[C@H](Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O)C(F)(F)F |r| Show InChI InChI=1S/C25H31F3N6O3/c1-5-37-18-8-6-17(7-9-18)21(25(26,27)28)30-22-19-14-34(15(2)3)23(36)20(19)29-24(31-22)33-12-10-32(11-13-33)16(4)35/h6-9,15,21H,5,10-14H2,1-4H3,(H,29,30,31)/t21-/m0/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
G protein-activated inward rectifier potassium channel 4
(Homo sapiens (Human)) | BDBM50613994
(CHEMBL5269440)Show SMILES Cc1cc(=O)c2c(F)cncc2n1-c1c(Cl)cc(cc1Cl)C#CCO |(3.33,-2.69,;2,-3.46,;2,-5,;.66,-5.77,;.66,-7.31,;-.67,-5,;-2,-5.77,;-2,-7.31,;-3.33,-5.01,;-3.33,-3.46,;-2,-2.69,;-.67,-3.46,;.66,-2.69,;.66,-1.15,;-.67,-.38,;-2.01,-1.15,;-.67,1.15,;.66,1.92,;1.99,1.16,;2,-.38,;3.33,-1.15,;.66,3.46,;.66,5,;.66,6.54,;-.67,7.31,)| | Reactome pathway
KEGG
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| | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
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More data for this
Ligand-Target Pair | |
G protein-activated inward rectifier potassium channel 4
(Homo sapiens (Human)) | BDBM585680
(US11530213, Example 1)Show SMILES OC[C@H](O)COc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |r,wU:2.2,(-4.27,-7.27,;-4.67,-5.78,;-3.33,-5.01,;-2.25,-6.1,;-3.33,-3.47,;-2,-2.7,;-2,-1.16,;-3.33,-.39,;-3.33,1.15,;-2,1.92,;-2,3.46,;-.67,1.15,;.67,1.92,;2,1.15,;3.33,1.92,;4.67,1.15,;2,-.39,;.67,-1.16,;.67,-2.7,;-.67,-.39,;.67,4.19,;-.67,4.96,;-2,4.19,;-.67,6.5,;.67,7.27,;2,6.5,;2,4.96,;3.33,4.19,)| | Reactome pathway
KEGG
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| | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
Citation and Details
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More data for this
Ligand-Target Pair | |
G protein-activated inward rectifier potassium channel 4
(Homo sapiens (Human)) | BDBM585699
(8-chloro-1-(2,6-dichlorophenyl)-5- (3-(2,3-dihydro...)Show SMILES Cc1cc(=O)c2c(OCC(O)COCC(O)CO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(3.33,.95,;2,.18,;2,-1.36,;.67,-2.13,;.67,-3.67,;-.67,-1.36,;-2,-2.13,;-2,-3.67,;-3.33,-4.44,;-3.33,-5.98,;-4.67,-6.75,;-2,-6.75,;-.67,-5.98,;.67,-6.75,;2,-5.98,;2,-4.44,;3.33,-6.75,;4.67,-5.98,;-3.33,-1.36,;-3.33,.18,;-2,.95,;-2,2.49,;-.67,.18,;.67,.95,;.67,3.67,;-.67,4.44,;-2,3.67,;-.67,5.98,;.67,6.75,;2,5.98,;2,4.44,;3.33,3.67,)| | Reactome pathway
KEGG
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| | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
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More data for this
Ligand-Target Pair | |
G protein-activated inward rectifier potassium channel 4
(Homo sapiens (Human)) | BDBM50613993
(CHEMBL5286246)Show SMILES Cc1cc(=O)c2c(F)cncc2n1-c1c(Cl)cc(cc1Cl)C#N |(3.33,-1.54,;2,-2.31,;2,-3.85,;.66,-4.62,;.66,-6.16,;-.67,-3.85,;-2,-4.62,;-2,-6.16,;-3.33,-3.86,;-3.33,-2.31,;-2,-1.54,;-.67,-2.31,;.66,-1.54,;.66,0,;-.67,.77,;-2.01,0,;-.67,2.31,;.66,3.08,;1.99,2.31,;2,.78,;3.33,.01,;.66,4.62,;.66,6.16,)| | Reactome pathway
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| | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
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More data for this
Ligand-Target Pair | |
G protein-activated inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50613993
(CHEMBL5286246)Show SMILES Cc1cc(=O)c2c(F)cncc2n1-c1c(Cl)cc(cc1Cl)C#N |(3.33,-1.54,;2,-2.31,;2,-3.85,;.66,-4.62,;.66,-6.16,;-.67,-3.85,;-2,-4.62,;-2,-6.16,;-3.33,-3.86,;-3.33,-2.31,;-2,-1.54,;-.67,-2.31,;.66,-1.54,;.66,0,;-.67,.77,;-2.01,0,;-.67,2.31,;.66,3.08,;1.99,2.31,;2,.78,;3.33,.01,;.66,4.62,;.66,6.16,)| | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
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| | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379712
(CHEMBL2011121)Show SMILES CCOc1ccc(cc1)[C@@H](CC)Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C26H36N6O3/c1-6-22(19-8-10-20(11-9-19)35-7-2)27-24-21-16-32(17(3)4)25(34)23(21)28-26(29-24)31-14-12-30(13-15-31)18(5)33/h8-11,17,22H,6-7,12-16H2,1-5H3,(H,27,28,29)/t22-/m1/s1 | PDB
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| n/a | n/a | 212 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
G protein-activated inward rectifier potassium channel 4
(Homo sapiens (Human)) | BDBM50613995
(CHEMBL5290509)Show SMILES Cc1cc(=O)c2c(F)cncc2n1-c1c(Cl)cc(cc1Cl)C#CCN1CCOCC1 |(3.33,-3.85,;2,-4.62,;2,-6.16,;.66,-6.93,;.66,-8.47,;-.67,-6.16,;-2,-6.93,;-2,-8.47,;-3.33,-6.16,;-3.33,-4.62,;-2,-3.85,;-.67,-4.62,;.66,-3.85,;.66,-2.31,;-.67,-1.54,;-2,-2.31,;-.67,-0,;.66,.77,;1.99,0,;2,-1.53,;3.34,-2.3,;.66,2.31,;.66,3.85,;.66,5.39,;-.67,6.16,;-2,5.39,;-3.34,6.16,;-3.34,7.7,;-2,8.47,;-.67,7.7,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
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| | n/a | n/a | 220 | 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 | |
G protein-activated inward rectifier potassium channel 4
(Homo sapiens (Human)) | BDBM585688
(8-chloro-1-(2,6-dichlorophenyl)-5- ((1,3-dihydroxy...)Show SMILES OCC(CO)Oc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-5.33,-4.46,;-4,-3.69,;-2.67,-4.46,;-2.67,-6,;-4,-6.77,;-1.33,-3.69,;-1.33,-2.15,;-2.67,-1.38,;-2.67,.16,;-1.33,.93,;-1.33,2.47,;,.16,;1.33,.93,;2.67,.16,;4,.93,;5.33,.16,;2.67,-1.38,;1.33,-2.15,;1.33,-3.69,;,-1.38,;1.33,3.69,;,4.46,;-1.33,3.69,;,6,;1.33,6.77,;2.67,6,;2.67,4.46,;4,3.69,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| PC cid
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UniChem
| | n/a | n/a | 250 | 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 3
(Homo sapiens (Human)) | BDBM50379708
(CHEMBL2010931)Show SMILES COCCNc1nc2C(=O)N(Cc2c(NC(c2ccccc2)c2ccccc2)n1)C(C)C Show InChI InChI=1S/C25H29N5O2/c1-17(2)30-16-20-22(24(30)31)28-25(26-14-15-32-3)29-23(20)27-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,21H,14-16H2,1-3H3,(H2,26,27,28,29) | PDB
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PubMed
| n/a | n/a | 255 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379734
(CHEMBL2011111)Show SMILES CC(C)N1Cc2c(nc(nc2NCC2(CCC2)c2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C26H33ClN6O2/c1-17(2)33-15-21-22(24(33)35)29-25(32-13-11-31(12-14-32)18(3)34)30-23(21)28-16-26(9-4-10-26)19-5-7-20(27)8-6-19/h5-8,17H,4,9-16H2,1-3H3,(H,28,29,30) | PDB
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| n/a | n/a | 262 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379724
(CHEMBL2010933)Show SMILES CC(C)N1Cc2c(nc(nc2NC(c2ccccc2)c2ccccc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C28H32N6O2/c1-19(2)34-18-23-25(27(34)36)30-28(33-16-14-32(15-17-33)20(3)35)31-26(23)29-24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,19,24H,14-18H2,1-3H3,(H,29,30,31) | PDB
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| n/a | n/a | 268 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(RAT) | BDBM50379707
(CHEMBL2011112)Show SMILES CC(C)N1Cc2c(nc(nc2NC(C)(C)Cc2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C25H33ClN6O2/c1-16(2)32-15-20-21(23(32)34)27-24(31-12-10-30(11-13-31)17(3)33)28-22(20)29-25(4,5)14-18-6-8-19(26)9-7-18/h6-9,16H,10-15H2,1-5H3,(H,27,28,29) | PDB
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| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at rat P2X3 receptor |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
G protein-activated inward rectifier potassium channel 4
(Homo sapiens (Human)) | BDBM50614000
(CHEMBL5286244)Show SMILES COc1ncc(C)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-1.33,-5,;-2.66,-4.23,;-2.66,-2.69,;-4,-1.93,;-4,-.38,;-2.66,.38,;-1.89,1.72,;-1.34,-.38,;-0,.39,;1.33,-.38,;2.66,.39,;4,-.38,;1.33,-1.92,;-0,-2.69,;-0,-4.23,;-1.34,-1.92,;-0,1.93,;-1.34,2.7,;-2.67,1.93,;-1.33,4.23,;-0,5,;1.33,4.24,;1.34,2.7,;2.67,1.93,)| | Reactome pathway
KEGG
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| UniChem
| | n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
Citation and Details
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More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379706
(CHEMBL2011115)Show SMILES CC(C)N1Cc2c(nc(nc2NCc2ccc(OC(F)(F)F)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C23H27F3N6O3/c1-14(2)32-13-18-19(21(32)34)28-22(31-10-8-30(9-11-31)15(3)33)29-20(18)27-12-16-4-6-17(7-5-16)35-23(24,25)26/h4-7,14H,8-13H2,1-3H3,(H,27,28,29) | PDB
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| n/a | n/a | 324 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379722
(CHEMBL2010930)Show SMILES CC(C)N1Cc2c(nc(nc2NC(c2ccccc2)c2ccccc2)N2CCC(C2)NC(C)=O)C1=O Show InChI InChI=1S/C28H32N6O2/c1-18(2)34-17-23-25(27(34)36)31-28(33-15-14-22(16-33)29-19(3)35)32-26(23)30-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18,22,24H,14-17H2,1-3H3,(H,29,35)(H,30,31,32) | PDB
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PubMed
| n/a | n/a | 327 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379725
(CHEMBL2011102)Show SMILES CC(C)N1Cc2c(nc(nc2NC(c2ccccc2)c2ccccc2)N2CCN(CC2)S(C)(=O)=O)C1=O Show InChI InChI=1S/C27H32N6O3S/c1-19(2)33-18-22-24(26(33)34)29-27(31-14-16-32(17-15-31)37(3,35)36)30-25(22)28-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,23H,14-18H2,1-3H3,(H,28,29,30) | PDB
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PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379726
(CHEMBL2011103)Show SMILES CC(C)N1Cc2c(nc(nc2NC(c2ccccc2)c2ccccc2)N2CCN(CC(=O)N(C)C)CC2)C1=O Show InChI InChI=1S/C30H37N7O2/c1-21(2)37-19-24-27(29(37)39)32-30(36-17-15-35(16-18-36)20-25(38)34(3)4)33-28(24)31-26(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,21,26H,15-20H2,1-4H3,(H,31,32,33) | PDB
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| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379732
(CHEMBL2011109)Show SMILES CC(C)N1Cc2c(nc(nc2NCC(C)c2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C24H31ClN6O2/c1-15(2)31-14-20-21(23(31)33)27-24(30-11-9-29(10-12-30)17(4)32)28-22(20)26-13-16(3)18-5-7-19(25)8-6-18/h5-8,15-16H,9-14H2,1-4H3,(H,26,27,28) | PDB
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| n/a | n/a | 441 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379715
(CHEMBL2011124)Show SMILES CCOc1ncc(cc1F)[C@@H](C)Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C24H32FN7O3/c1-6-35-22-19(25)11-17(12-26-22)15(4)27-21-18-13-32(14(2)3)23(34)20(18)28-24(29-21)31-9-7-30(8-10-31)16(5)33/h11-12,14-15H,6-10,13H2,1-5H3,(H,27,28,29)/t15-/m1/s1 | PDB
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| n/a | n/a | 521 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379709
(CHEMBL2011117)Show SMILES CC(C)N1Cc2c(nc(nc2N[C@H](C)c2ccc(C)cc2)N2CCN(CC2)C(C)=O)C1=O |r| Show InChI InChI=1S/C24H32N6O2/c1-15(2)30-14-20-21(23(30)32)26-24(29-12-10-28(11-13-29)18(5)31)27-22(20)25-17(4)19-8-6-16(3)7-9-19/h6-9,15,17H,10-14H2,1-5H3,(H,25,26,27)/t17-/m1/s1 | PDB
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| n/a | n/a | 613 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379721
(CHEMBL2010929)Show SMILES CC(C)N1Cc2c(nc(nc2NC(c2ccccc2)c2ccccc2)N2CCNCC2)C1=O Show InChI InChI=1S/C26H30N6O/c1-18(2)32-17-21-23(25(32)33)29-26(31-15-13-27-14-16-31)30-24(21)28-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,22,27H,13-17H2,1-2H3,(H,28,29,30) | PDB
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| n/a | n/a | 618 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379735
(CHEMBL2011114)Show SMILES CC(C)N1Cc2c(nc(nc2NCc2ccc(cc2)C(F)(F)F)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C23H27F3N6O2/c1-14(2)32-13-18-19(21(32)34)28-22(31-10-8-30(9-11-31)15(3)33)29-20(18)27-12-16-4-6-17(7-5-16)23(24,25)26/h4-7,14H,8-13H2,1-3H3,(H,27,28,29) | PDB
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PubMed
| n/a | n/a | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379731
(CHEMBL2011108)Show SMILES CC(C)N1Cc2c(nc(nc2NCCc2ccc(C)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C24H32N6O2/c1-16(2)30-15-20-21(23(30)32)26-24(29-13-11-28(12-14-29)18(4)31)27-22(20)25-10-9-19-7-5-17(3)6-8-19/h5-8,16H,9-15H2,1-4H3,(H,25,26,27) | PDB
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PubMed
| n/a | n/a | 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379720
(CHEMBL2010928)Show SMILES CC(C)N1Cc2c(nc(nc2NC(c2ccccc2)c2ccccc2)N2CCOCC2)C1=O Show InChI InChI=1S/C26H29N5O2/c1-18(2)31-17-21-23(25(31)32)28-26(30-13-15-33-16-14-30)29-24(21)27-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,22H,13-17H2,1-2H3,(H,27,28,29) | PDB
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PubMed
| n/a | n/a | 1.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379730
(CHEMBL2011107)Show SMILES CC(C)N1Cc2c(nc(nc2NCCc2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C23H29ClN6O2/c1-15(2)30-14-19-20(22(30)32)26-23(29-12-10-28(11-13-29)16(3)31)27-21(19)25-9-8-17-4-6-18(24)7-5-17/h4-7,15H,8-14H2,1-3H3,(H,25,26,27) | PDB
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PubMed
| n/a | n/a | 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379723
(CHEMBL2010932)Show SMILES CC(C)N1Cc2c(nc(nc2NC(c2ccccc2)c2ccccc2)N2CCN(C)CC2)C1=O Show InChI InChI=1S/C27H32N6O/c1-19(2)33-18-22-24(26(33)34)29-27(32-16-14-31(3)15-17-32)30-25(22)28-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,23H,14-18H2,1-3H3,(H,28,29,30) | PDB
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| n/a | n/a | 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50379707
(CHEMBL2011112)Show SMILES CC(C)N1Cc2c(nc(nc2NC(C)(C)Cc2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C25H33ClN6O2/c1-16(2)32-15-20-21(23(32)34)27-24(31-12-10-30(11-13-31)17(3)33)28-22(20)29-25(4,5)14-18-6-8-19(26)9-7-18/h6-9,16H,10-15H2,1-5H3,(H,27,28,29) | PDB
MMDB
Reactome pathway
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UniChem
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| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP2C9 |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379733
(CHEMBL2011110)Show SMILES CC(C)N1Cc2c(nc(nc2NCC(C)(C)c2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C25H33ClN6O2/c1-16(2)32-14-20-21(23(32)34)28-24(31-12-10-30(11-13-31)17(3)33)29-22(20)27-15-25(4,5)18-6-8-19(26)9-7-18/h6-9,16H,10-15H2,1-5H3,(H,27,28,29) | PDB
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PubMed
| n/a | n/a | 2.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50379710
(CHEMBL2011119)Show SMILES COc1ccc(cc1)[C@@H](C)Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C24H32N6O3/c1-15(2)30-14-20-21(23(30)32)26-24(29-12-10-28(11-13-29)17(4)31)27-22(20)25-16(3)18-6-8-19(33-5)9-7-18/h6-9,15-16H,10-14H2,1-5H3,(H,25,26,27)/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP2C9 |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50379705
(CHEMBL2011113)Show SMILES CC(C)N1Cc2c(nc(nc2NCc2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C22H27ClN6O2/c1-14(2)29-13-18-19(21(29)31)25-22(28-10-8-27(9-11-28)15(3)30)26-20(18)24-12-16-4-6-17(23)7-5-16/h4-7,14H,8-13H2,1-3H3,(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP2C9 |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
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