BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'medhurst' and Initial = 'sj'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417280
PNG
(CHEMBL1271548)
Show SMILES CN1C[C@H](N(C)C1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C14H15ClF3N3O2/c1-20-7-10(21(2)13(20)23)12(22)19-6-8-4-3-5-9(11(8)15)14(16,17)18/h3-5,10H,6-7H2,1-2H3,(H,19,22)/t10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416599
PNG
(CHEMBL1222821)
Show SMILES CCN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C15H16ClF3N2O2/c1-2-21-11(6-7-12(21)22)14(23)20-8-9-4-3-5-10(13(9)16)15(17,18)19/h3-5,11H,2,6-8H2,1H3,(H,20,23)/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.58n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor by ethidium bromide release assay

Bioorg Med Chem Lett 20: 5080-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.033
BindingDB Entry DOI: 10.7270/Q289173T
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417274
PNG
(CHEMBL1269248)
Show SMILES CN1C[C@H](N(C)C1=O)C(=O)NCc1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C13H15Cl2N3O2/c1-17-7-11(18(2)13(17)20)12(19)16-6-8-3-4-9(14)5-10(8)15/h3-5,11H,6-7H2,1-2H3,(H,16,19)/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416380
PNG
(CHEMBL1210561)
Show SMILES Cc1n[nH]c(C)c1CC(=O)NCc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C15H15ClF3N3O/c1-8-11(9(2)22-21-8)6-13(23)20-7-10-4-3-5-12(14(10)16)15(17,18)19/h3-5H,6-7H2,1-2H3,(H,20,23)(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.51n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor ethidium bromide release assay

Bioorg Med Chem Lett 20: 4653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.107
BindingDB Entry DOI: 10.7270/Q2DZ09HF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417273
PNG
(CHEMBL1271885)
Show SMILES CN1[C@@H](CN(C1=O)c1cn(C)cn1)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C17H17ClF3N5O2/c1-24-8-13(23-9-24)26-7-12(25(2)16(26)28)15(27)22-6-10-4-3-5-11(14(10)18)17(19,20)21/h3-5,8-9,12H,6-7H2,1-2H3,(H,22,27)/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.51n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416375
PNG
(CHEMBL1210623)
Show SMILES Cc1noc(C)c1CC(=O)NCc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C15H14ClF3N2O2/c1-8-11(9(2)23-21-8)6-13(22)20-7-10-4-3-5-12(14(10)16)15(17,18)19/h3-5H,6-7H2,1-2H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.51n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor ethidium bromide release assay

Bioorg Med Chem Lett 20: 4653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.107
BindingDB Entry DOI: 10.7270/Q2DZ09HF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416378
PNG
(CHEMBL1210563)
Show SMILES Cc1cnn(C)c1CC(=O)NCc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C15H15ClF3N3O/c1-9-7-21-22(2)12(9)6-13(23)20-8-10-4-3-5-11(14(10)16)15(17,18)19/h3-5,7H,6,8H2,1-2H3,(H,20,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor ethidium bromide release assay

Bioorg Med Chem Lett 20: 4653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.107
BindingDB Entry DOI: 10.7270/Q2DZ09HF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416603
PNG
(CHEMBL1222883)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416603
PNG
(CHEMBL1222883)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor by ethidium bromide release assay

Bioorg Med Chem Lett 20: 5080-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.033
BindingDB Entry DOI: 10.7270/Q289173T
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417278
PNG
(CHEMBL1271767)
Show SMILES CN1[C@@H](CC(F)(F)C1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C14H12ClF5N2O2/c1-22-9(5-13(16,17)12(22)24)11(23)21-6-7-3-2-4-8(10(7)15)14(18,19)20/h2-4,9H,5-6H2,1H3,(H,21,23)/t9-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417279
PNG
(CHEMBL1271884)
Show SMILES CN1[C@@H](CN(C1=O)c1nccn1C)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C17H17ClF3N5O2/c1-24-7-6-22-15(24)26-9-12(25(2)16(26)28)14(27)23-8-10-4-3-5-11(13(10)18)17(19,20)21/h3-7,12H,8-9H2,1-2H3,(H,23,27)/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417272
PNG
(CHEMBL1271604)
Show SMILES CN1[C@@H](CNC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C13H13ClF3N3O2/c1-20-9(6-19-12(20)22)11(21)18-5-7-3-2-4-8(10(7)14)13(15,16)17/h2-4,9H,5-6H2,1H3,(H,18,21)(H,19,22)/t9-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417271
PNG
(CHEMBL1271769)
Show SMILES CN1[C@@H](COCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C14H14ClF3N2O3/c1-20-10(6-23-7-11(20)21)13(22)19-5-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417270
PNG
(CHEMBL1271656)
Show SMILES CN1[C@@H](CN(C1=O)c1cccnc1C)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C19H18ClF3N4O2/c1-11-14(7-4-8-24-11)27-10-15(26(2)18(27)29)17(28)25-9-12-5-3-6-13(16(12)20)19(21,22)23/h3-8,15H,9-10H2,1-2H3,(H,25,28)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416598
PNG
(CHEMBL1222820)
Show SMILES CCN1[C@@H](CCC1=O)C(=O)NCc1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C14H16Cl2N2O2/c1-2-18-12(5-6-13(18)19)14(20)17-8-9-3-4-10(15)7-11(9)16/h3-4,7,12H,2,5-6,8H2,1H3,(H,17,20)/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.31n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor by ethidium bromide release assay

Bioorg Med Chem Lett 20: 5080-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.033
BindingDB Entry DOI: 10.7270/Q289173T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50189987
PNG
(6-phenyl-N-(quinolin-7-yl)nicotinamide | CHEMBL213...)
Show SMILES O=C(Nc1ccc2cccnc2c1)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C21H15N3O/c25-21(24-18-10-8-16-7-4-12-22-20(16)13-18)17-9-11-19(23-14-17)15-5-2-1-3-6-15/h1-14H,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 assessed as inhibition of acid-induced calcium influx by FLIPR assay

Bioorg Med Chem Lett 16: 4533-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.026
BindingDB Entry DOI: 10.7270/Q20R9P1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416383
PNG
(CHEMBL1210558)
Show SMILES Cc1n[nH]c(C)c1CC(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H15Cl2N3O/c1-8-12(9(2)19-18-8)6-14(20)17-7-10-3-4-11(15)5-13(10)16/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.94n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416383
PNG
(CHEMBL1210558)
Show SMILES Cc1n[nH]c(C)c1CC(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H15Cl2N3O/c1-8-12(9(2)19-18-8)6-14(20)17-7-10-3-4-11(15)5-13(10)16/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.94n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor ethidium bromide release assay

Bioorg Med Chem Lett 20: 4653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.107
BindingDB Entry DOI: 10.7270/Q2DZ09HF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416383
PNG
(CHEMBL1210558)
Show SMILES Cc1n[nH]c(C)c1CC(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H15Cl2N3O/c1-8-12(9(2)19-18-8)6-14(20)17-7-10-3-4-11(15)5-13(10)16/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.94n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor by ethidium bromide release assay

Bioorg Med Chem Lett 20: 5080-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.033
BindingDB Entry DOI: 10.7270/Q289173T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 9n/an/an/an/a5.3n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by whole cell patch clamp a...

Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416377
PNG
(CHEMBL1210621)
Show SMILES Cn1ncc(F)c1CC(=O)NCc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C14H12ClF4N3O/c1-22-11(10(16)7-21-22)5-12(23)20-6-8-3-2-4-9(13(8)15)14(17,18)19/h2-4,7H,5-6H2,1H3,(H,20,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor ethidium bromide release assay

Bioorg Med Chem Lett 20: 4653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.107
BindingDB Entry DOI: 10.7270/Q2DZ09HF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416379
PNG
(CHEMBL1210562)
Show SMILES Cc1cnn(C)c1CC(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H15Cl2N3O/c1-9-7-18-19(2)13(9)6-14(20)17-8-10-3-4-11(15)5-12(10)16/h3-5,7H,6,8H2,1-2H3,(H,17,20)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor ethidium bromide release assay

Bioorg Med Chem Lett 20: 4653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.107
BindingDB Entry DOI: 10.7270/Q2DZ09HF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416395
PNG
(CHEMBL1210369)
Show SMILES CCc1n[nH]c(CC)c1CCC(=O)NCc1ccc(F)cc1Cl
Show InChI InChI=1S/C17H21ClFN3O/c1-3-15-13(16(4-2)22-21-15)7-8-17(23)20-10-11-5-6-12(19)9-14(11)18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,20,23)(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor ethidium bromide release assay

Bioorg Med Chem Lett 20: 4653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.107
BindingDB Entry DOI: 10.7270/Q2DZ09HF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417268
PNG
(CHEMBL1271826)
Show SMILES CN1[C@@H](CN(C1=O)c1ccnc(C)c1)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C19H18ClF3N4O2/c1-11-8-13(6-7-24-11)27-10-15(26(2)18(27)29)17(28)25-9-12-4-3-5-14(16(12)20)19(21,22)23/h3-8,15H,9-10H2,1-2H3,(H,25,28)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417269
PNG
(CHEMBL1269250)
Show SMILES CN1C[C@H](N(C)C1=O)C(=O)NCc1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C13H15Cl2N3O2/c1-17-7-10(18(2)13(17)20)12(19)16-6-8-4-3-5-9(14)11(8)15/h3-5,10H,6-7H2,1-2H3,(H,16,19)/t10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417277
PNG
(CHEMBL1269249)
Show SMILES CN1[C@@H](CNC1=O)C(=O)NCc1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C12H13Cl2N3O2/c1-17-10(6-16-12(17)19)11(18)15-5-7-2-3-8(13)4-9(7)14/h2-4,10H,5-6H2,1H3,(H,15,18)(H,16,19)/t10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417275
PNG
(CHEMBL1271939)
Show SMILES CN1[C@@H](CN(C1=O)c1cccnc1C)C(=O)NCc1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C18H18Cl2N4O2/c1-11-15(4-3-7-21-11)24-10-16(23(2)18(24)26)17(25)22-9-12-5-6-13(19)8-14(12)20/h3-8,16H,9-10H2,1-2H3,(H,22,25)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416618
PNG
(CHEMBL1222819)
Show SMILES CCN1[C@@H](CCC1=O)C(=O)NCc1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C14H16Cl2N2O2/c1-2-18-11(6-7-12(18)19)14(20)17-8-9-4-3-5-10(15)13(9)16/h3-5,11H,2,6-8H2,1H3,(H,17,20)/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor by ethidium bromide release assay

Bioorg Med Chem Lett 20: 5080-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.033
BindingDB Entry DOI: 10.7270/Q289173T
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416390
PNG
(CHEMBL1210439)
Show SMILES Cc1[nH]nc(c1CCC(=O)NCc1ccc(F)cc1Cl)C(F)(F)F
Show InChI InChI=1S/C15H14ClF4N3O/c1-8-11(14(23-22-8)15(18,19)20)4-5-13(24)21-7-9-2-3-10(17)6-12(9)16/h2-3,6H,4-5,7H2,1H3,(H,21,24)(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor ethidium bromide release assay

Bioorg Med Chem Lett 20: 4653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.107
BindingDB Entry DOI: 10.7270/Q2DZ09HF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416376
PNG
(CHEMBL1210622)
Show SMILES Cc1noc(C)c1CC(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H14Cl2N2O2/c1-8-12(9(2)20-18-8)6-14(19)17-7-10-3-4-11(15)5-13(10)16/h3-5H,6-7H2,1-2H3,(H,17,19)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 15.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor ethidium bromide release assay

Bioorg Med Chem Lett 20: 4653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.107
BindingDB Entry DOI: 10.7270/Q2DZ09HF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417267
PNG
(CHEMBL1271768)
Show SMILES CN1[C@@H](COC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C13H12ClF3N2O3/c1-19-9(6-22-12(19)21)11(20)18-5-7-3-2-4-8(10(7)14)13(15,16)17/h2-4,9H,5-6H2,1H3,(H,18,20)/t9-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50415882
PNG
(CHEMBL1094106)
Show SMILES Cc1n[nH]c(C)c1CC(=O)NCc1ccc(F)cc1Cl
Show InChI InChI=1S/C14H15ClFN3O/c1-8-12(9(2)19-18-8)6-14(20)17-7-10-3-4-11(16)5-13(10)15/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor ethidium bromide release assay

Bioorg Med Chem Lett 20: 4653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.107
BindingDB Entry DOI: 10.7270/Q2DZ09HF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417266
PNG
(CHEMBL1271655)
Show SMILES CN1[C@@H](CN(CCN2CCOCC2)C1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C19H24ClF3N4O3/c1-25-15(12-27(18(25)29)6-5-26-7-9-30-10-8-26)17(28)24-11-13-3-2-4-14(16(13)20)19(21,22)23/h2-4,15H,5-12H2,1H3,(H,24,28)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417265
PNG
(CHEMBL1271708)
Show SMILES CN1[C@@H](CC(C)(C)C1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C16H18ClF3N2O2/c1-15(2)7-11(22(3)14(15)24)13(23)21-8-9-5-4-6-10(12(9)17)16(18,19)20/h4-6,11H,7-8H2,1-3H3,(H,21,23)/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416610
PNG
(CHEMBL1222673)
Show SMILES Fc1ccc(CNC(=O)[C@@H]2CCC(=O)N2C2CCC2)c(Cl)c1 |r|
Show InChI InChI=1S/C16H18ClFN2O2/c17-13-8-11(18)5-4-10(13)9-19-16(22)14-6-7-15(21)20(14)12-2-1-3-12/h4-5,8,12,14H,1-3,6-7,9H2,(H,19,22)/t14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor by ethidium bromide release assay

Bioorg Med Chem Lett 20: 5080-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.033
BindingDB Entry DOI: 10.7270/Q289173T
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417276
PNG
(CHEMBL1269330)
Show SMILES CN1[C@@H](CNC1=O)C(=O)NCc1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C12H13Cl2N3O2/c1-17-9(6-16-12(17)19)11(18)15-5-7-3-2-4-8(13)10(7)14/h2-4,9H,5-6H2,1H3,(H,15,18)(H,16,19)/t9-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416602
PNG
(CHEMBL1222882)
Show SMILES CCN1[C@@H](CCCC1=O)C(=O)NCc1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C15H18ClFN2O2/c1-2-19-13(4-3-5-14(19)20)15(21)18-9-10-6-7-11(17)8-12(10)16/h6-8,13H,2-5,9H2,1H3,(H,18,21)/t13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 31.6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor by ethidium bromide release assay

Bioorg Med Chem Lett 20: 5080-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.033
BindingDB Entry DOI: 10.7270/Q289173T
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417264
PNG
(CHEMBL1271605)
Show SMILES CN1[C@@H](CN(C2CCN(C)CC2)C1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C19H24ClF3N4O2/c1-25-8-6-13(7-9-25)27-11-15(26(2)18(27)29)17(28)24-10-12-4-3-5-14(16(12)20)19(21,22)23/h3-5,13,15H,6-11H2,1-2H3,(H,24,28)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 31.6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416607
PNG
(CHEMBL1222669)
Show SMILES CCN1[C@@H](CCC1=O)C(=O)NCc1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C14H16ClFN2O2/c1-2-18-12(5-6-13(18)19)14(20)17-8-9-3-4-10(16)7-11(9)15/h3-4,7,12H,2,5-6,8H2,1H3,(H,17,20)/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 31.6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor by ethidium bromide release assay

Bioorg Med Chem Lett 20: 5080-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.033
BindingDB Entry DOI: 10.7270/Q289173T
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50415883
PNG
(CHEMBL1095454)
Show SMILES Cc1nn(c(C)c1CC(=O)NCc1ccc(F)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C20H19ClFN3O/c1-13-18(14(2)25(24-13)17-6-4-3-5-7-17)11-20(26)23-12-15-8-9-16(22)10-19(15)21/h3-10H,11-12H2,1-2H3,(H,23,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor by ethidium bromide release assay

Bioorg Med Chem Lett 20: 5080-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.033
BindingDB Entry DOI: 10.7270/Q289173T
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416382
PNG
(CHEMBL1210559)
Show SMILES Cc1n[nH]c(C)c1CC(=O)NCc1ccc(F)cc1C(F)(F)F
Show InChI InChI=1S/C15H15F4N3O/c1-8-12(9(2)22-21-8)6-14(23)20-7-10-3-4-11(16)5-13(10)15(17,18)19/h3-5H,6-7H2,1-2H3,(H,20,23)(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor ethidium bromide release assay

Bioorg Med Chem Lett 20: 4653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.107
BindingDB Entry DOI: 10.7270/Q2DZ09HF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 40n/an/an/an/a5.3n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay

Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 49n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium influx by whole cell patch clamp ass...

Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Cavia porcellus)		BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 63n/an/an/an/a5.3n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at guinea pig TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay

Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416386
PNG
(CHEMBL1210500)
Show SMILES Cc1noc(C)c1CCC(=O)NCc1ccc(F)cc1Cl
Show InChI InChI=1S/C15H16ClFN2O2/c1-9-13(10(2)21-19-9)5-6-15(20)18-8-11-3-4-12(17)7-14(11)16/h3-4,7H,5-6,8H2,1-2H3,(H,18,20)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor ethidium bromide release assay

Bioorg Med Chem Lett 20: 4653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.107
BindingDB Entry DOI: 10.7270/Q2DZ09HF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50417275
PNG
(CHEMBL1271939)
Show SMILES CN1[C@@H](CN(C1=O)c1cccnc1C)C(=O)NCc1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C18H18Cl2N4O2/c1-11-15(4-3-7-21-11)24-10-16(23(2)18(24)26)17(25)22-9-12-5-6-13(19)8-14(12)20/h3-8,16H,9-10H2,1-2H3,(H,22,25)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 63.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416381
PNG
(CHEMBL1210560)
Show SMILES Cc1n[nH]c(C)c1CC(=O)NCc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H15ClF3N3O/c1-8-11(9(2)22-21-8)6-14(23)20-7-10-3-4-13(16)12(5-10)15(17,18)19/h3-5H,6-7H2,1-2H3,(H,20,23)(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 63.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor ethidium bromide release assay

Bioorg Med Chem Lett 20: 4653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.107
BindingDB Entry DOI: 10.7270/Q2DZ09HF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416613
PNG
(CHEMBL1222739)
Show SMILES CCN1[C@@H](CCC1=O)C(=O)NCC12CC3CC(CC(C3)C1)C2 |r,TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
Show InChI InChI=1S/C18H28N2O2/c1-2-20-15(3-4-16(20)21)17(22)19-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15H,2-11H2,1H3,(H,19,22)/t12?,13?,14?,15-,18?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 79.4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor by ethidium bromide release assay

Bioorg Med Chem Lett 20: 5080-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.033
BindingDB Entry DOI: 10.7270/Q289173T
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50416383
PNG
(CHEMBL1210558)
Show SMILES Cc1n[nH]c(C)c1CC(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H15Cl2N3O/c1-8-12(9(2)19-18-8)6-14(20)17-7-10-3-4-11(15)5-13(10)16/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 79.4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor ethidium bromide release assay

Bioorg Med Chem Lett 20: 4653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.107
BindingDB Entry DOI: 10.7270/Q2DZ09HF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50416383
PNG
(CHEMBL1210558)
Show SMILES Cc1n[nH]c(C)c1CC(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H15Cl2N3O/c1-8-12(9(2)19-18-8)6-14(20)17-7-10-3-4-11(15)5-13(10)16/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 79.4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 91 total )  |  Next  |  Last  >>
Jump to: