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Compile Data Set for Download or QSAR

Found 352 hits with Last Name = 'page' and Initial = 'p'   
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
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM244799
PNG
(US9447055, I)
Show SMILES CC(C)[C@H](N)C(=O)OCC[C@H](NC(=O)[C@@H]1SCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C30H34FN3O5S2/c1-20(2)27(32)30(36)39-18-16-26(23-8-12-24(31)13-9-23)33-28(35)29-34(17-19-40-29)41(37,38)25-14-10-22(11-15-25)21-6-4-3-5-7-21/h3-15,20,26-27,29H,16-19,32H2,1-2H3,(H,33,35)/t26-,27-,29-/s2
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1n/an/an/an/an/an/an/an/a



Merck Serono S.A.

US Patent


Assay Description
The potency of inhibition of compound I and compound II on prostaglandin F2α receptor was assessed by analyzing the affinity of these compounds...


US Patent US9447055 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J6Z
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21599
PNG
(2-{5-chloro-1'-[(3-methyl-5-phenyl-1,2-oxazol-4-yl...)
Show SMILES Cc1noc(c1CN1CC2(CC1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1
Show InChI InChI=1S/C24H20ClN3O5/c1-14-17(22(33-26-14)15-5-3-2-4-6-15)11-27-13-24(10-20(27)29)18-9-16(25)7-8-19(18)28(23(24)32)12-21(30)31/h2-9H,10-13H2,1H3,(H,30,31)
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3.80n/an/an/a 19n/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21599
PNG
(2-{5-chloro-1'-[(3-methyl-5-phenyl-1,2-oxazol-4-yl...)
Show SMILES Cc1noc(c1CN1CC2(CC1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1
Show InChI InChI=1S/C24H20ClN3O5/c1-14-17(22(33-26-14)15-5-3-2-4-6-15)11-27-13-24(10-20(27)29)18-9-16(25)7-8-19(18)28(23(24)32)12-21(30)31/h2-9H,10-13H2,1H3,(H,30,31)
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3.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay


ACS Med Chem Lett 2: 644-649 (2011)


Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Mus musculus (mouse))
BDBM21610
PNG
(2-[(3R)-5-chloro-1'-[(5-chloro-2-fluorophenyl)meth...)
Show SMILES OC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C20H13Cl2FN2O5/c21-11-1-3-14(23)10(5-11)8-25-16(26)7-20(19(25)30)13-6-12(22)2-4-15(13)24(18(20)29)9-17(27)28/h1-6H,7-9H2,(H,27,28)/t20-/m1/s1
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5n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21610
PNG
(2-[(3R)-5-chloro-1'-[(5-chloro-2-fluorophenyl)meth...)
Show SMILES OC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C20H13Cl2FN2O5/c21-11-1-3-14(23)10(5-11)8-25-16(26)7-20(19(25)30)13-6-12(22)2-4-15(13)24(18(20)29)9-17(27)28/h1-6H,7-9H2,(H,27,28)/t20-/m1/s1
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5.30n/an/an/a 66n/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21595
PNG
(2-{5-chloro-1'-[(3-methyl-5-phenyl-1,2-oxazol-4-yl...)
Show SMILES Cc1noc(c1CN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1
Show InChI InChI=1S/C24H18ClN3O6/c1-13-16(21(34-26-13)14-5-3-2-4-6-14)11-28-19(29)10-24(23(28)33)17-9-15(25)7-8-18(17)27(22(24)32)12-20(30)31/h2-9H,10-12H2,1H3,(H,30,31)
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5.30n/an/an/a 23n/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM244800
PNG
(US9447055, II)
Show SMILES OCC[C@H](NC(=O)[C@@H]1SCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C25H25FN2O4S2/c26-21-10-6-20(7-11-21)23(14-16-29)27-24(30)25-28(15-17-33-25)34(31,32)22-12-8-19(9-13-22)18-4-2-1-3-5-18/h1-13,23,25,29H,14-17H2,(H,27,30)/t23-,25-/s2
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6n/an/an/an/an/an/an/an/a



Merck Serono S.A.

US Patent


Assay Description
The potency of inhibition of compound I and compound II on prostaglandin F2α receptor was assessed by analyzing the affinity of these compounds...


US Patent US9447055 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J6Z
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50385619
PNG
(CHEMBL2042237)
Show SMILES Cc1onc(c1CN1C(=O)NC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1
Show InChI InChI=1S/C23H17ClN4O6/c1-12-15(19(26-34-12)13-5-3-2-4-6-13)10-28-21(32)23(25-22(28)33)16-9-14(24)7-8-17(16)27(20(23)31)11-18(29)30/h2-9H,10-11H2,1H3,(H,25,33)(H,29,30)
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay


ACS Med Chem Lett 2: 644-649 (2011)


Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21594
PNG
(2-{5-chloro-1'-[(5-methyl-3-phenyl-1,2-oxazol-4-yl...)
Show SMILES Cc1onc(c1CN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1
Show InChI InChI=1S/C24H18ClN3O6/c1-13-16(21(26-34-13)14-5-3-2-4-6-14)11-28-19(29)10-24(23(28)33)17-9-15(25)7-8-18(17)27(22(24)32)12-20(30)31/h2-9H,10-12H2,1H3,(H,30,31)
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7.60n/an/an/a 21n/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21579
PNG
(2-{5-chloro-1'-[(5-chloro-2-fluorophenyl)methyl]-1...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H13Cl2FN2O5/c21-11-1-3-14(23)10(5-11)8-25-16(26)7-20(19(25)30)13-6-12(22)2-4-15(13)24(18(20)29)9-17(27)28/h1-6H,7-9H2,(H,27,28)
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10n/an/an/a 48n/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21596
PNG
(2-{5-chloro-1'-[(4-methoxy-3,5-dimethylpyridin-2-y...)
Show SMILES COc1c(C)cnc(CN2C(=O)CC3(C2=O)C(=O)N(CC(O)=O)c2ccc(Cl)cc32)c1C
Show InChI InChI=1S/C22H20ClN3O6/c1-11-8-24-15(12(2)19(11)32-3)9-26-17(27)7-22(21(26)31)14-6-13(23)4-5-16(14)25(20(22)30)10-18(28)29/h4-6,8H,7,9-10H2,1-3H3,(H,28,29)
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12n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21611
PNG
(2-[(3S)-5-chloro-1'-[(5-chloro-2-fluorophenyl)meth...)
Show SMILES OC(=O)CN1C(=O)[C@]2(CN(Cc3cc(Cl)ccc3F)C(=O)C2)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C20H15Cl2FN2O4/c21-12-1-3-15(23)11(5-12)8-24-10-20(7-17(24)26)14-6-13(22)2-4-16(14)25(19(20)29)9-18(27)28/h1-6H,7-10H2,(H,27,28)/t20-/m1/s1
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay


ACS Med Chem Lett 2: 644-649 (2011)


Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21611
PNG
(2-[(3S)-5-chloro-1'-[(5-chloro-2-fluorophenyl)meth...)
Show SMILES OC(=O)CN1C(=O)[C@]2(CN(Cc3cc(Cl)ccc3F)C(=O)C2)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C20H15Cl2FN2O4/c21-12-1-3-15(23)11(5-12)8-24-10-20(7-17(24)26)14-6-13(22)2-4-16(14)25(19(20)29)9-18(27)28/h1-6H,7-10H2,(H,27,28)/t20-/m1/s1
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13n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50385620
PNG
(CHEMBL2042238)
Show SMILES OC(=O)CN1C(=O)[C@@]2(NC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C19H12Cl2FN3O5/c20-10-1-3-13(22)9(5-10)7-25-17(29)19(23-18(25)30)12-6-11(21)2-4-14(12)24(16(19)28)8-15(26)27/h1-6H,7-8H2,(H,23,30)(H,26,27)/t19-/m0/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay


ACS Med Chem Lett 2: 644-649 (2011)


Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50385626
PNG
(CHEMBL2042378)
Show SMILES CN1C(=O)N(Cc2csc(n2)-c2ccccc2)C(=O)C11C(=O)N(CC(O)=O)c2ccc(Cl)cc12
Show InChI InChI=1S/C23H17ClN4O5S/c1-26-22(33)28(10-15-12-34-19(25-15)13-5-3-2-4-6-13)21(32)23(26)16-9-14(24)7-8-17(16)27(20(23)31)11-18(29)30/h2-9,12H,10-11H2,1H3,(H,29,30)
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay


ACS Med Chem Lett 2: 644-649 (2011)


Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21581
PNG
(2-{5-chloro-1'-[(3-chloro-5-fluorophenyl)methyl]-1...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cc(F)cc(Cl)c3)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H13Cl2FN2O5/c21-11-1-2-15-14(6-11)20(18(29)24(15)9-17(27)28)7-16(26)25(19(20)30)8-10-3-12(22)5-13(23)4-10/h1-6H,7-9H2,(H,27,28)
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20n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21575
PNG
(2-{5-chloro-1'-[(2,5-difluorophenyl)methyl]-1,2-di...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cc(F)ccc3F)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H13ClF2N2O5/c21-11-1-4-15-13(6-11)20(18(29)24(15)9-17(27)28)7-16(26)25(19(20)30)8-10-5-12(22)2-3-14(10)23/h1-6H,7-9H2,(H,27,28)
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21n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Mus musculus (mouse))
BDBM21603
PNG
(2-[(3R)-5-chloro-1'-[(2-fluorophenyl)methyl]-1,2-d...)
Show SMILES OC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C20H14ClFN2O5/c21-12-5-6-15-13(7-12)20(18(28)23(15)10-17(26)27)8-16(25)24(19(20)29)9-11-3-1-2-4-14(11)22/h1-7H,8-10H2,(H,26,27)/t20-/m1/s1
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22n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21605
PNG
(2-[(3R)-5-chloro-1'-[(3-chlorophenyl)methyl]-1,2-d...)
Show SMILES OC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cccc(Cl)c3)C2=O)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C20H14Cl2N2O5/c21-12-3-1-2-11(6-12)9-24-16(25)8-20(19(24)29)14-7-13(22)4-5-15(14)23(18(20)28)10-17(26)27/h1-7H,8-10H2,(H,26,27)/t20-/m1/s1
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23n/an/an/a 107n/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21603
PNG
(2-[(3R)-5-chloro-1'-[(2-fluorophenyl)methyl]-1,2-d...)
Show SMILES OC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C20H14ClFN2O5/c21-12-5-6-15-13(7-12)20(18(28)23(15)10-17(26)27)8-16(25)24(19(20)29)9-11-3-1-2-4-14(11)22/h1-7H,8-10H2,(H,26,27)/t20-/m1/s1
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23n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21585
PNG
(2-(5-chloro-1'-{[2-(3-chlorophenyl)-1,3-thiazol-4-...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3csc(n3)-c3cccc(Cl)c3)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C23H15Cl2N3O5S/c24-13-3-1-2-12(6-13)20-26-15(11-34-20)9-28-18(29)8-23(22(28)33)16-7-14(25)4-5-17(16)27(21(23)32)10-19(30)31/h1-7,11H,8-10H2,(H,30,31)
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24n/an/an/a 48n/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21574
PNG
(2-{5-chloro-1'-[(2,3-difluorophenyl)methyl]-1,2-di...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cccc(F)c3F)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H13ClF2N2O5/c21-11-4-5-14-12(6-11)20(18(29)24(14)9-16(27)28)7-15(26)25(19(20)30)8-10-2-1-3-13(22)17(10)23/h1-6H,7-9H2,(H,27,28)
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25n/an/an/a 296n/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50385618
PNG
(CHEMBL2042236)
Show SMILES OC(=O)CN1C(=O)C2(NC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C19H12Cl2FN3O5/c20-10-1-3-13(22)9(5-10)7-25-17(29)19(23-18(25)30)12-6-11(21)2-4-14(12)24(16(19)28)8-15(26)27/h1-6H,7-8H2,(H,23,30)(H,26,27)
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28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay


ACS Med Chem Lett 2: 644-649 (2011)


Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21598
PNG
(2-{5-chloro-1'-[(5-chloro-2-fluorophenyl)methyl]-1...)
Show SMILES OC(=O)CN1C(=O)C2(CN(Cc3cc(Cl)ccc3F)C(=O)C2)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H15Cl2FN2O4/c21-12-1-3-15(23)11(5-12)8-24-10-20(7-17(24)26)14-6-13(22)2-4-16(14)25(19(20)29)9-18(27)28/h1-6H,7-10H2,(H,27,28)
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32n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Mus musculus (mouse))
BDBM21605
PNG
(2-[(3R)-5-chloro-1'-[(3-chlorophenyl)methyl]-1,2-d...)
Show SMILES OC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cccc(Cl)c3)C2=O)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C20H14Cl2N2O5/c21-12-3-1-2-11(6-12)9-24-16(25)8-20(19(24)29)14-7-13(22)4-5-15(14)23(18(20)28)10-17(26)27/h1-7H,8-10H2,(H,26,27)/t20-/m1/s1
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33n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50385616
PNG
(CHEMBL2042239)
Show SMILES CN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C20H14Cl2FN3O5/c1-24-19(31)26(8-10-6-11(21)2-4-14(10)23)18(30)20(24)13-7-12(22)3-5-15(13)25(17(20)29)9-16(27)28/h2-7H,8-9H2,1H3,(H,27,28)/t20-/m0/s1
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35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay


ACS Med Chem Lett 2: 644-649 (2011)


Article DOI: 10.1021/ml2001196
BindingDB Entry DOI: 10.7270/Q28916X5
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21580
PNG
(2-{5-chloro-1'-[(3,5-dichlorophenyl)methyl]-1,2-di...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cc(Cl)cc(Cl)c3)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H13Cl3N2O5/c21-11-1-2-15-14(6-11)20(18(29)24(15)9-17(27)28)7-16(26)25(19(20)30)8-10-3-12(22)5-13(23)4-10/h1-6H,7-9H2,(H,27,28)
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36n/an/an/a 82n/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21576
PNG
(2-{5-chloro-1'-[(3,5-difluorophenyl)methyl]-1,2-di...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cc(F)cc(F)c3)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H13ClF2N2O5/c21-11-1-2-15-14(5-11)20(18(29)24(15)9-17(27)28)7-16(26)25(19(20)30)8-10-3-12(22)6-13(23)4-10/h1-6H,7-9H2,(H,27,28)
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37n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21566
PNG
(2-{5-chloro-1'-[(2-fluorophenyl)methyl]-1,2-dihydr...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H14ClFN2O5/c21-12-5-6-15-13(7-12)20(18(28)23(15)10-17(26)27)8-16(25)24(19(20)29)9-11-3-1-2-4-14(11)22/h1-7H,8-10H2,(H,26,27)
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37 -42.0n/an/a 212n/an/a7.422



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21584
PNG
(2-{5-chloro-1'-[(2-methyl-1,3-thiazol-4-yl)methyl]...)
Show SMILES Cc1nc(CN2C(=O)CC3(C2=O)C(=O)N(CC(O)=O)c2ccc(Cl)cc32)cs1
Show InChI InChI=1S/C18H14ClN3O5S/c1-9-20-11(8-28-9)6-22-14(23)5-18(17(22)27)12-4-10(19)2-3-13(12)21(16(18)26)7-15(24)25/h2-4,8H,5-7H2,1H3,(H,24,25)
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38n/an/an/a 236n/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21578
PNG
(2-{5-chloro-1'-[(2-chloro-5-fluorophenyl)methyl]-1...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cc(F)ccc3Cl)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H13Cl2FN2O5/c21-11-1-4-15-13(6-11)20(18(29)24(15)9-17(27)28)7-16(26)25(19(20)30)8-10-5-12(23)2-3-14(10)22/h1-6H,7-9H2,(H,27,28)
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43n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330742
PNG
(2-(2-Chlorophenyl)-5-[(1-methyl-1H-pyrazol-3-yl)me...)
Show SMILES CN(Cc1ccccc1)Cc1n(Cc2ccn(C)n2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C26H25ClN6O2/c1-30(15-18-8-4-3-5-9-18)17-23-25-21(14-24(34)32(23)16-19-12-13-31(2)28-19)29-33(26(25)35)22-11-7-6-10-20(22)27/h3-14,29H,15-17H2,1-2H3
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47n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21593
PNG
(2-{5-chloro-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)meth...)
Show SMILES Cc1noc(C)c1CN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21
Show InChI InChI=1S/C19H16ClN3O6/c1-9-12(10(2)29-21-9)7-23-15(24)6-19(18(23)28)13-5-11(20)3-4-14(13)22(17(19)27)8-16(25)26/h3-5H,6-8H2,1-2H3,(H,25,26)
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51n/an/an/a 220n/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21586
PNG
(2-(5-chloro-1'-{[2-(4-chlorophenyl)-1,3-thiazol-4-...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3csc(n3)-c3ccc(Cl)cc3)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C23H15Cl2N3O5S/c24-13-3-1-12(2-4-13)20-26-15(11-34-20)9-28-18(29)8-23(22(28)33)16-7-14(25)5-6-17(16)27(21(23)32)10-19(30)31/h1-7,11H,8-10H2,(H,30,31)
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55n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330740
PNG
(2-(2-chlorophenyl)-4-((4-(3-methoxyphenyl)piperazi...)
Show SMILES COc1cccc(c1)N1CCN(Cc2n(C)c(=O)cc3[nH]n(-c4ccccc4Cl)c(=O)c23)CC1
Show InChI InChI=1S/C25H26ClN5O3/c1-28-22(16-29-10-12-30(13-11-29)17-6-5-7-18(14-17)34-2)24-20(15-23(28)32)27-31(25(24)33)21-9-4-3-8-19(21)26/h3-9,14-15,27H,10-13,16H2,1-2H3
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65n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50359519
PNG
(CHEMBL1927157)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccn4)Cc3c2c1=O
Show InChI InChI=1S/C22H20ClN5O2/c23-16-7-1-2-8-18(16)28-22(30)21-17(25-28)12-20(29)27-11-5-10-26(14-19(21)27)13-15-6-3-4-9-24-15/h1-4,6-9,12,25H,5,10-11,13-14H2
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67n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21568
PNG
(2-{5-chloro-1'-[(3-chlorophenyl)methyl]-1,2-dihydr...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cccc(Cl)c3)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H14Cl2N2O5/c21-12-3-1-2-11(6-12)9-24-16(25)8-20(19(24)29)14-7-13(22)4-5-15(14)23(18(20)28)10-17(26)27/h1-7H,8-10H2,(H,26,27)
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68 -40.5n/an/a 122n/an/a7.422



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21607
PNG
(2-[(3R)-5-chloro-1'-[(3-methoxyphenyl)methyl]-1,2-...)
Show SMILES COc1cccc(CN2C(=O)C[C@@]3(C(=O)N(CC(O)=O)c4ccc(Cl)cc34)C2=O)c1 |r|
Show InChI InChI=1S/C21H17ClN2O6/c1-30-14-4-2-3-12(7-14)10-24-17(25)9-21(20(24)29)15-8-13(22)5-6-16(15)23(19(21)28)11-18(26)27/h2-8H,9-11H2,1H3,(H,26,27)/t21-/m1/s1
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72n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50359523
PNG
(CHEMBL1927147)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
Show InChI InChI=1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2
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72n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50359528
PNG
(CHEMBL1927149)
Show SMILES Clc1ccccc1CN1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O
Show InChI InChI=1S/C23H20Cl2N4O2/c24-16-7-2-1-6-15(16)13-27-10-5-11-28-20(14-27)22-18(12-21(28)30)26-29(23(22)31)19-9-4-3-8-17(19)25/h1-4,6-9,12,26H,5,10-11,13-14H2
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76n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21601
PNG
(2-[(3R)-1'-benzyl-5-chloro-1,2-dihydrospiro[indole...)
Show SMILES OC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C20H15ClN2O5/c21-13-6-7-15-14(8-13)20(18(27)22(15)11-17(25)26)9-16(24)23(19(20)28)10-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,25,26)/t20-/m1/s1
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81n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330744
PNG
(4-((2-chlorobenzyloxy)methyl)-2-(2-chlorophenyl)-5...)
Show SMILES Cn1c(COCc2ccccc2Cl)c2c(cc1=O)[nH]n(-c1ccccc1Cl)c2=O
Show InChI InChI=1S/C21H17Cl2N3O3/c1-25-18(12-29-11-13-6-2-3-7-14(13)22)20-16(10-19(25)27)24-26(21(20)28)17-9-5-4-8-15(17)23/h2-10,24H,11-12H2,1H3
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82n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50359528
PNG
(CHEMBL1927149)
Show SMILES Clc1ccccc1CN1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O
Show InChI InChI=1S/C23H20Cl2N4O2/c24-16-7-2-1-6-15(16)13-27-10-5-11-28-20(14-27)22-18(12-21(28)30)26-29(23(22)31)19-9-4-3-8-17(19)25/h1-4,6-9,12,26H,5,10-11,13-14H2
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87n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50359525
PNG
(CHEMBL1927146)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCNCc3c2c1=O
Show InChI InChI=1S/C16H15ClN4O2/c17-10-4-1-2-5-12(10)21-16(23)15-11(19-21)8-14(22)20-7-3-6-18-9-13(15)20/h1-2,4-5,8,18-19H,3,6-7,9H2
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87n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Mus musculus (mouse))
BDBM21611
PNG
(2-[(3S)-5-chloro-1'-[(5-chloro-2-fluorophenyl)meth...)
Show SMILES OC(=O)CN1C(=O)[C@]2(CN(Cc3cc(Cl)ccc3F)C(=O)C2)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C20H15Cl2FN2O4/c21-12-1-3-15(23)11(5-12)8-24-10-20(7-17(24)26)14-6-13(22)2-4-16(14)25(19(20)29)9-18(27)28/h1-6H,7-10H2,(H,27,28)/t20-/m1/s1
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88n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21577
PNG
(2-{5-chloro-1'-[(3,4-difluorophenyl)methyl]-1,2-di...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3ccc(F)c(F)c3)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H13ClF2N2O5/c21-11-2-4-15-12(6-11)20(18(29)24(15)9-17(27)28)7-16(26)25(19(20)30)8-10-1-3-13(22)14(23)5-10/h1-6H,7-9H2,(H,27,28)
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89n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50359520
PNG
(CHEMBL1927158)
Show SMILES COc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccn4)Cc3c2c1=O
Show InChI InChI=1S/C23H23N5O3/c1-31-20-9-3-2-8-18(20)28-23(30)22-17(25-28)13-21(29)27-12-6-11-26(15-19(22)27)14-16-7-4-5-10-24-16/h2-5,7-10,13,25H,6,11-12,14-15H2,1H3
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93n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50359518
PNG
(CHEMBL1927156)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4cccnc4)Cc3c2c1=O
Show InChI InChI=1S/C22H20ClN5O2/c23-16-6-1-2-7-18(16)28-22(30)21-17(25-28)11-20(29)27-10-4-9-26(14-19(21)27)13-15-5-3-8-24-12-15/h1-3,5-8,11-12,25H,4,9-10,13-14H2
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94n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50359530
PNG
(CHEMBL1927151)
Show SMILES Clc1ccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)cc1
Show InChI InChI=1S/C23H20Cl2N4O2/c24-16-8-6-15(7-9-16)13-27-10-3-11-28-20(14-27)22-18(12-21(28)30)26-29(23(22)31)19-5-2-1-4-17(19)25/h1-2,4-9,12,26H,3,10-11,13-14H2
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95n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330743
PNG
(4-(benzyloxymethyl)-2-(2-chlorophenyl)-5-(pyrazin-...)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n(Cc3cnccn3)c(COCc3ccccc3)c2c1=O
Show InChI InChI=1S/C25H20ClN5O3/c26-19-8-4-5-9-21(19)31-25(33)24-20(29-31)12-23(32)30(14-18-13-27-10-11-28-18)22(24)16-34-15-17-6-2-1-3-7-17/h1-13,29H,14-16H2
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95n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
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