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Compile Data Set for Download or QSAR

Found 295 hits with Last Name = 'sugiyama' and Initial = 's'   
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
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50026750
PNG
(CHEMBL3354618)
Show SMILES Cc1cccc(C)c1C1=C(O)CC(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1=O |c:9|
Show InChI InChI=1S/C30H30ClNO4S/c1-18-5-3-6-19(2)28(18)29-27(33)17-22(30(29)34)15-20-7-4-8-21-16-24(11-14-26(20)21)32-37(35,36)25-12-9-23(31)10-13-25/h3-10,12-13,22,24,32-33H,11,14-17H2,1-2H3
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n/an/a 0.0150n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50026748
PNG
(CHEMBL3354616)
Show SMILES COc1ccc(cc1)C1=C(O)CC(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1=O |c:9|
Show InChI InChI=1S/C29H28ClNO5S/c1-36-24-10-5-18(6-11-24)28-27(32)17-21(29(28)33)15-19-3-2-4-20-16-23(9-14-26(19)20)31-37(34,35)25-12-7-22(30)8-13-25/h2-8,10-13,21,23,31-32H,9,14-17H2,1H3
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n/an/a 0.0520n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505120
PNG
(US11066409, Compound I-0003)
Show SMILES Cc1c(Cl)cccc1Nc1nc(=O)cc2COCC(c3ccccc3)n12
PDB

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n/an/a 1.80n/an/an/an/an/an/a


TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50026760
PNG
(CHEMBL3354614)
Show SMILES OC1=C(C(=O)C(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1 |t:1|
Show InChI InChI=1S/C28H26ClNO4S/c29-22-9-12-24(13-10-22)35(33,34)30-23-11-14-25-19(7-4-8-20(25)16-23)15-21-17-26(31)27(28(21)32)18-5-2-1-3-6-18/h1-10,12-13,21,23,30-31H,11,14-17H2
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n/an/a 3.90n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50026761
PNG
(CHEMBL3354615)
Show SMILES OC1=C(C(=O)C(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc(F)cc1 |t:1|
Show InChI InChI=1S/C28H25ClFNO4S/c29-21-6-11-24(12-7-21)36(34,35)31-23-10-13-25-18(2-1-3-19(25)15-23)14-20-16-26(32)27(28(20)33)17-4-8-22(30)9-5-17/h1-9,11-12,20,23,31-32H,10,13-16H2
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n/an/a 6.5n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505144
PNG
(US11066409, Compound I-0188)
Show SMILES CN1C2=NCC(N2C(NCc2ccccc2)=NC1=O)c1cc(F)c(F)c(F)c1 |c:17,t:2|
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n/an/a 7.60n/an/an/an/an/an/a


TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM16512
PNG
((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...)
Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r|
Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Rational Drug Design Laboratories

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition activity against human Aldose reductase (human AR)


J Med Chem 43: 2479-83 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6JBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505195
PNG
(US11066409, Compound I-0054)
Show SMILES Cc1nc2cc(C)c(cc2s1)\N=c1/[nH]c(=O)c(F)c2CCC(c3ccc(F)cc3)n12
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TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505199
PNG
(US11066409, Compound I-0058)
Show SMILES Cc1nc2cc(C)c(Nc3nc(=O)c(F)c4CCC(c5ccc(F)cc5F)n34)cc2s1
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TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505205
PNG
(US11066409, Compound I-0065)
Show SMILES Cc1cc(\N=c2/[nH]c(=O)cc3CCC(c4ccccc4)n23)c(C)cc1OC(F)F
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TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505206
PNG
(US11066409, Compound I-0066)
Show SMILES Cc1cc2COCc2cc1Nc1nc(=O)cc2CCC(c3cc(F)cc(F)c3)n12
PDB

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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505207
PNG
(US11066409, Compound I-0067)
Show SMILES Cc1cc2COCc2cc1Nc1nc(=O)cc2CCC(c3ccc(F)cc3)n12
PDB

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TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505213
PNG
(US11066409, Compound I-0074)
Show SMILES Cc1cc2COCc2cc1\N=c1/[nH]c(=O)c(F)c2CCC(c3ccc(F)cc3)n12
PDB

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TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505216
PNG
(US11066409, Compound I-0077)
Show SMILES Cc1nc(OC(F)F)ccc1Nc1nc(=O)c(F)c2CCC(c3ccc(F)cc3)n12
PDB

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TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505219
PNG
(US11066409, Compound I-0080)
Show SMILES CCOc1ccc(\N=c2/[nH]c(=O)c(F)c3CCC(c4ccc(F)cc4)n23)c(C)n1
PDB

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TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505235
PNG
(US11066409, Compound I-0097)
Show SMILES COc1ccc(Nc2nc(=O)c(F)c3CCC(c4cc(F)cc(F)c4)n23)c(C)c1
PDB

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TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505236
PNG
(US11066409, Compound I-0098)
Show SMILES COc1ccc(C)c(Nc2nc(=O)c(F)c3CCC(c4cc(F)cc(F)c4)n23)c1
PDB

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TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505237
PNG
(US11066409, Compound I-0099)
Show SMILES COc1cc(Nc2nc(=O)c(F)c3CCC(c4cc(F)cc(F)c4)n23)c(C)cc1F
PDB

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TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505240
PNG
(US11066409, Compound I-0104 | US11066409, Compound...)
Show SMILES COc1ccc(Nc2nc(=O)cc3N(C)CC(c4ccccc4)n23)c(C)c1
PDB

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TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505130
PNG
(US11066409, Compound I-0107 | US11066409, Compound...)
Show SMILES CCN1C2=NCC(N2C(Nc2cc(C)c(C)cc2C)=NC1=O)c1ccccc1 |c:20,t:3|
PDB

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TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505262
PNG
(US11066409, Compound I-0128 | US11066409, Compound...)
Show SMILES COc1cc(Nc2nc(=O)cc3NCC(c4cc(F)cc(F)c4)n23)c(C)cc1F
PDB

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TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505125
PNG
(US11066409, Compound I-0069)
Show SMILES COc1ccc(\N=c2/[nH]c(=O)c(F)c3CCC(c4ccc(F)cc4)n23)c(C)n1
PDB

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TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505147
PNG
(US11066409, Compound I-0002)
Show SMILES Cc1c(Cl)cccc1Nc1nc(=O)cc2OCC(c3ccccc3)n12
PDB

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Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505150
PNG
(US11066409, Compound I-0007)
Show SMILES Cc1c(Cl)cccc1Nc1nc(=O)cc2CCC(c3ccccc3)n12
PDB

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TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505151
PNG
(US11066409, Compound I-0008)
Show SMILES Cc1c(Cl)cccc1Nc1nc(=O)cc2CCC(c3cccc(Cl)c3)n12
PDB

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TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505152
PNG
(US11066409, Compound I-0010)
Show SMILES COc1cc(C)c(Nc2nc(=O)cc3CCC(c4ccccc4)n23)cc1OC
PDB

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TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505153
PNG
(US11066409, Compound I-0011)
Show SMILES Cc1cc(Nc2nc(=O)cc3CCC(c4ccccc4)n23)c(C)cc1Cl
PDB

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TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505154
PNG
(US11066409, Compound I-0012)
Show SMILES Cc1cc(Nc2nc(=O)cc3CCC(c4ccc(F)c(Cl)c4)n23)c(C)cc1Cl
PDB

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TBA

Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505155
PNG
(US11066409, Compound I-0013)
Show SMILES COc1cc(C)c(Nc2nc(=O)cc3CCC(c4ccc(F)c(Cl)c4)n23)cc1OC
PDB

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Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505156
PNG
(US11066409, Compound I-0014)
Show SMILES COc1ccc(Nc2nc(=O)cc3CCC(c4ccccc4)n23)c(C)c1
PDB

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Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505161
PNG
(US11066409, Compound I-0019)
Show SMILES COc1ccc(Nc2nc(=O)cc3CCC(c4ccccc4)n23)cc1OC
PDB

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Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505162
PNG
(US11066409, Compound I-0020)
Show SMILES COc1cc(C)c(Nc2nc(=O)cc3CCC(c4ccccc4)n23)cc1C
PDB

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Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505164
PNG
(US11066409, Compound I-0022)
Show SMILES COc1cc(Nc2nc(=O)cc3CCC(c4ccccc4)n23)c(C)cc1F
PDB

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Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505165
PNG
(US11066409, Compound I-0023)
Show SMILES COc1ccc(Nc2nc(=O)cc3CCC(c4ccc(F)cc4)n23)c(C)c1
PDB

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Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505168
PNG
(US11066409, Compound I-0026)
Show SMILES Cc1nc2cc(C)c(Nc3nc(=O)cc4CCC(c5ccc(F)cc5)n34)cc2s1
PDB

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Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505169
PNG
(US11066409, Compound I-0027)
Show SMILES COc1cc(Nc2nc(=O)cc3CCC(c4ccccc4)n23)c(C)cc1Cl
PDB

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Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505170
PNG
(US11066409, Compound I-0028)
Show SMILES COc1cc(C)c(Nc2nc(=O)cc3CCC(c4ccccc4)n23)cc1Cl
PDB

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Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505171
PNG
(US11066409, Compound I-0029)
Show SMILES Cc1nc2cc(C)c(Nc3nc(=O)cc4CC[C@@H](c5ccccc5)n34)cc2s1 |r|
PDB

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Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505178
PNG
(US11066409, Compound I-0037)
Show SMILES COc1ccc(Nc2nc(=O)cc3CCC(c4ccc(F)c(Cl)c4)n23)c(C)c1
PDB

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Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505179
PNG
(US11066409, Compound I-0038)
Show SMILES COc1ccc(Nc2nc(=O)cc3CCC(c4cc(F)cc(F)c4)n23)c(C)c1
PDB

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Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505180
PNG
(US11066409, Compound I-0039)
Show SMILES CCc1cc(Nc2nc(=O)cc3CCC(c4ccccc4)n23)c(C)cc1OC
PDB

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Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505182
PNG
(US11066409, Compound I-0041)
Show SMILES COc1ccc(Nc2nc(=O)cc3CCC(c4ccc(F)c(F)c4)n23)c(C)c1
PDB

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Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505183
PNG
(US11066409, Compound I-0042)
Show SMILES COc1ccc(Nc2nc(=O)cc3CCC(c4cc(F)c(F)c(F)c4)n23)c(C)c1
PDB

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Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505184
PNG
(US11066409, Compound I-0043)
Show SMILES COc1nc(C)c(Nc2nc(=O)cc3CCC(c4ccccc4)n23)cc1C
PDB

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Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505190
PNG
(US11066409, Compound I-0049)
Show SMILES COc1ccc(Nc2nc(=O)cc3CCC(c4cccc(F)c4)n23)c(C)c1
PDB

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Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505191
PNG
(US11066409, Compound I-0050)
Show SMILES COc1ccc(Nc2nc(=O)cc3CCC(c4cccc(Cl)c4)n23)c(C)c1
PDB

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Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505128
PNG
(US11066409, Compound I-0102)
Show SMILES Cc1cc2COCc2cc1Nc1nc(=O)c(F)c2CCC(c3cc(F)cc(F)c3)n12
PDB

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Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505124
PNG
(US11066409, Compound I-0059)
Show SMILES CCc1nc(OC)ccc1Nc1nc(=O)cc2CCC(c3cc(F)cc(F)c3)n12
PDB

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Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505129
PNG
(US11066409, Compound I-0106)
Show SMILES CN1CC(c2ccccc2)n2c1cc(=O)nc2Nc1cc(C)c(C)cc1C
PDB

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Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QDT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50026759
PNG
(CHEMBL3354613)
Show SMILES CC1=C(O)CC(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1=O |c:1|
Show InChI InChI=1S/C23H24ClNO4S/c1-14-22(26)13-17(23(14)27)11-15-3-2-4-16-12-19(7-10-21(15)16)25-30(28,29)20-8-5-18(24)6-9-20/h2-6,8-9,17,19,25-26H,7,10-13H2,1H3
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Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
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