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Compile Data Set for Download or QSAR

Found 103 hits from AstraZeneca R& D Charnwood   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339747
PNG
((S)-2-(2-((4-(2-(4-fluorophenyl)acetyl)-3-methylpi...)
Show SMILES C[C@H]1CN(Cc2cc(ccc2OCC(O)=O)C(F)(F)F)CCN1C(=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C23H24F4N2O4/c1-15-12-28(8-9-29(15)21(30)10-16-2-5-19(24)6-3-16)13-17-11-18(23(25,26)27)4-7-20(17)33-14-22(31)32/h2-7,11,15H,8-10,12-14H2,1H3,(H,31,32)/t15-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339748
PNG
(CHEMBL1689128 | [4-Chloro-2-[[(3S)-4-[(4-chlorophe...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H24Cl2N2O4/c1-15-12-25(13-17-11-19(24)6-7-20(17)30-14-22(28)29)8-9-26(15)21(27)10-16-2-4-18(23)5-3-16/h2-7,11,15H,8-10,12-14H2,1H3,(H,28,29)/t15-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339749
PNG
((S)-2-(2-((4-(benzylsulfonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2CC(O)=O)CCN1S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C21H25ClN2O4S/c1-16-13-23(14-19-11-20(22)8-7-18(19)12-21(25)26)9-10-24(16)29(27,28)15-17-5-3-2-4-6-17/h2-8,11,16H,9-10,12-15H2,1H3,(H,25,26)/t16-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339750
PNG
((S)-2-(4-chloro-2-((3-methyl-4-(phenylsulfonyl)pip...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H23ClN2O5S/c1-15-12-22(9-10-23(15)29(26,27)18-5-3-2-4-6-18)13-16-11-17(21)7-8-19(16)28-14-20(24)25/h2-8,11,15H,9-10,12-14H2,1H3,(H,24,25)/t15-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339751
PNG
((S)-2-(4-chloro-2-((4-(2-(4-fluorophenyl)acetyl)-3...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C22H24ClFN2O4/c1-15-12-25(13-17-11-18(23)4-7-20(17)30-14-22(28)29)8-9-26(15)21(27)10-16-2-5-19(24)6-3-16/h2-7,11,15H,8-10,12-14H2,1H3,(H,28,29)/t15-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339752
PNG
((S)-2-(4-chloro-2-((4-(phenylsulfonyl)-3-propylpip...)
Show SMILES CCC[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H27ClN2O5S/c1-2-6-19-15-24(11-12-25(19)31(28,29)20-7-4-3-5-8-20)14-17-13-18(23)9-10-21(17)30-16-22(26)27/h3-5,7-10,13,19H,2,6,11-12,14-16H2,1H3,(H,26,27)/t19-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339753
PNG
((S)-2-(4-chloro-2-(((S)-4-(2-(4-chlorophenyl)acety...)
Show SMILES C[C@H](Oc1ccc(Cl)cc1CN1CCN([C@@H](C)C1)C(=O)Cc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C23H26Cl2N2O4/c1-15-13-26(9-10-27(15)22(28)11-17-3-5-19(24)6-4-17)14-18-12-20(25)7-8-21(18)31-16(2)23(29)30/h3-8,12,15-16H,9-11,13-14H2,1-2H3,(H,29,30)/t15-,16-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50124519
PNG
(5,8-Difluoro-2-furan-2-yl-1,2-dihydro-quinazolin-4...)
Show SMILES NC1=NC(Nc2c(F)ccc(F)c12)c1ccco1
Show InChI InChI=1S/C12H9F2N3O/c13-6-3-4-7(14)10-9(6)11(15)17-12(16-10)8-2-1-5-18-8/h1-5,12,16H,(H2,15,17)
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human inducible nitiric oxide synthase


J Med Chem 46: 913-6 (2003)


Article DOI: 10.1021/jm0255926
BindingDB Entry DOI: 10.7270/Q2S75H3M
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339754
PNG
(CHEMBL1689135 | [4-Chloro-2-({(3S)-4-[(4-chlorophe...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2CC(O)=O)CCN1C(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H24Cl2N2O3/c1-15-13-25(14-18-11-20(24)7-4-17(18)12-22(28)29)8-9-26(15)21(27)10-16-2-5-19(23)6-3-16/h2-7,11,15H,8-10,12-14H2,1H3,(H,28,29)/t15-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339755
PNG
((S)-2-(4-chloro-2-((3-methyl-4-(2-phenylacetyl)pip...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H25ClN2O4/c1-16-13-24(9-10-25(16)21(26)11-17-5-3-2-4-6-17)14-18-12-19(23)7-8-20(18)29-15-22(27)28/h2-8,12,16H,9-11,13-15H2,1H3,(H,27,28)/t16-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339756
PNG
((S)-2-(4-chloro-2-((3-ethyl-4-(phenylsulfonyl)pipe...)
Show SMILES CC[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H25ClN2O5S/c1-2-18-14-23(10-11-24(18)30(27,28)19-6-4-3-5-7-19)13-16-12-17(22)8-9-20(16)29-15-21(25)26/h3-9,12,18H,2,10-11,13-15H2,1H3,(H,25,26)/t18-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339750
PNG
((S)-2-(4-chloro-2-((3-methyl-4-(phenylsulfonyl)pip...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H23ClN2O5S/c1-15-12-22(9-10-23(15)29(26,27)18-5-3-2-4-6-18)13-16-11-17(21)7-8-19(16)28-14-20(24)25/h2-8,11,15H,9-10,12-14H2,1H3,(H,24,25)/t15-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339757
PNG
((S)-2-(4-chloro-2-((4-(2-(2-chlorophenyl)acetyl)-3...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccccc1Cl
Show InChI InChI=1S/C22H24Cl2N2O4/c1-15-12-25(13-17-10-18(23)6-7-20(17)30-14-22(28)29)8-9-26(15)21(27)11-16-4-2-3-5-19(16)24/h2-7,10,15H,8-9,11-14H2,1H3,(H,28,29)/t15-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339758
PNG
(2-(2-((4-(benzylsulfonyl)piperazin-1-yl)methyl)-4-...)
Show SMILES OC(=O)COc1ccc(Cl)cc1CN1CCN(CC1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C20H23ClN2O5S/c21-18-6-7-19(28-14-20(24)25)17(12-18)13-22-8-10-23(11-9-22)29(26,27)15-16-4-2-1-3-5-16/h1-7,12H,8-11,13-15H2,(H,24,25)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339759
PNG
((S)-2-(4-chloro-2-((4-(2-(3-chlorophenyl)acetyl)-3...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C22H24Cl2N2O4/c1-15-12-25(13-17-11-19(24)5-6-20(17)30-14-22(28)29)7-8-26(15)21(27)10-16-3-2-4-18(23)9-16/h2-6,9,11,15H,7-8,10,12-14H2,1H3,(H,28,29)/t15-/m0/s1
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n/an/a 6.80n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339751
PNG
((S)-2-(4-chloro-2-((4-(2-(4-fluorophenyl)acetyl)-3...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C22H24ClFN2O4/c1-15-12-25(13-17-11-18(23)4-7-20(17)30-14-22(28)29)8-9-26(15)21(27)10-16-2-5-19(24)6-3-16/h2-7,11,15H,8-10,12-14H2,1H3,(H,28,29)/t15-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339748
PNG
(CHEMBL1689128 | [4-Chloro-2-[[(3S)-4-[(4-chlorophe...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H24Cl2N2O4/c1-15-12-25(13-17-11-19(24)6-7-20(17)30-14-22(28)29)8-9-26(15)21(27)10-16-2-4-18(23)5-3-16/h2-7,11,15H,8-10,12-14H2,1H3,(H,28,29)/t15-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339760
PNG
(2-(4-chloro-2-((4-(4-fluorophenylsulfonyl)piperazi...)
Show SMILES OC(=O)COc1ccc(Cl)cc1CN1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H20ClFN2O5S/c20-15-1-6-18(28-13-19(24)25)14(11-15)12-22-7-9-23(10-8-22)29(26,27)17-4-2-16(21)3-5-17/h1-6,11H,7-10,12-13H2,(H,24,25)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339749
PNG
((S)-2-(2-((4-(benzylsulfonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2CC(O)=O)CCN1S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C21H25ClN2O4S/c1-16-13-23(14-19-11-20(22)8-7-18(19)12-21(25)26)9-10-24(16)29(27,28)15-17-5-3-2-4-6-17/h2-8,11,16H,9-10,12-15H2,1H3,(H,25,26)/t16-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339752
PNG
((S)-2-(4-chloro-2-((4-(phenylsulfonyl)-3-propylpip...)
Show SMILES CCC[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H27ClN2O5S/c1-2-6-19-15-24(11-12-25(19)31(28,29)20-7-4-3-5-8-20)14-17-13-18(23)9-10-21(17)30-16-22(26)27/h3-5,7-10,13,19H,2,6,11-12,14-16H2,1H3,(H,26,27)/t19-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339750
PNG
((S)-2-(4-chloro-2-((3-methyl-4-(phenylsulfonyl)pip...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H23ClN2O5S/c1-15-12-22(9-10-23(15)29(26,27)18-5-3-2-4-6-18)13-16-11-17(21)7-8-19(16)28-14-20(24)25/h2-8,11,15H,9-10,12-14H2,1H3,(H,24,25)/t15-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339757
PNG
((S)-2-(4-chloro-2-((4-(2-(2-chlorophenyl)acetyl)-3...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccccc1Cl
Show InChI InChI=1S/C22H24Cl2N2O4/c1-15-12-25(13-17-10-18(23)6-7-20(17)30-14-22(28)29)8-9-26(15)21(27)11-16-4-2-3-5-19(16)24/h2-7,10,15H,8-9,11-14H2,1H3,(H,28,29)/t15-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339761
PNG
(CHEMBL1689109 | [4-Chloro-2-[4-(phenylsulfonyl)-1-...)
Show SMILES OC(=O)COc1ccc(Cl)cc1CN1CCN(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H21ClN2O5S/c20-16-6-7-18(27-14-19(23)24)15(12-16)13-21-8-10-22(11-9-21)28(25,26)17-4-2-1-3-5-17/h1-7,12H,8-11,13-14H2,(H,23,24)
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339762
PNG
(2-(2-((4-(phenylsulfonyl)piperazin-1-yl)methyl)-4-...)
Show SMILES OC(=O)COc1ccc(cc1CN1CCN(CC1)S(=O)(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N2O5S/c21-20(22,23)16-6-7-18(30-14-19(26)27)15(12-16)13-24-8-10-25(11-9-24)31(28,29)17-4-2-1-3-5-17/h1-7,12H,8-11,13-14H2,(H,26,27)
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n/an/a 18n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339758
PNG
(2-(2-((4-(benzylsulfonyl)piperazin-1-yl)methyl)-4-...)
Show SMILES OC(=O)COc1ccc(Cl)cc1CN1CCN(CC1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C20H23ClN2O5S/c21-18-6-7-19(28-14-20(24)25)17(12-18)13-22-8-10-23(11-9-22)29(26,27)15-16-4-2-1-3-5-16/h1-7,12H,8-11,13-15H2,(H,24,25)
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n/an/a 18n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339754
PNG
(CHEMBL1689135 | [4-Chloro-2-({(3S)-4-[(4-chlorophe...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2CC(O)=O)CCN1C(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H24Cl2N2O3/c1-15-13-25(14-18-11-20(24)7-4-17(18)12-22(28)29)8-9-26(15)21(27)10-16-2-5-19(23)6-3-16/h2-7,11,15H,8-10,12-14H2,1H3,(H,28,29)/t15-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339763
PNG
((S)-2-(4-chloro-2-((4-(2-(4-chlorophenyl)-2-methyl...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)C(C)(C)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H28Cl2N2O4/c1-16-13-27(14-17-12-20(26)8-9-21(17)32-15-22(29)30)10-11-28(16)23(31)24(2,3)18-4-6-19(25)7-5-18/h4-9,12,16H,10-11,13-15H2,1-3H3,(H,29,30)/t16-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50124537
PNG
(2-Cyclobutyl-5-fluoro-1,2-dihydro-quinazolin-4-yla...)
Show SMILES NC1=NC(Nc2cccc(F)c12)C1CCC1
Show InChI InChI=1S/C12H14FN3/c13-8-5-2-6-9-10(8)11(14)16-12(15-9)7-3-1-4-7/h2,5-7,12,15H,1,3-4H2,(H2,14,16)
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human inducible nitiric oxide synthase


J Med Chem 46: 913-6 (2003)


Article DOI: 10.1021/jm0255926
BindingDB Entry DOI: 10.7270/Q2S75H3M
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339755
PNG
((S)-2-(4-chloro-2-((3-methyl-4-(2-phenylacetyl)pip...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H25ClN2O4/c1-16-13-24(9-10-25(16)21(26)11-17-5-3-2-4-6-17)14-18-12-19(23)7-8-20(18)29-15-22(27)28/h2-8,12,16H,9-11,13-15H2,1H3,(H,27,28)/t16-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339759
PNG
((S)-2-(4-chloro-2-((4-(2-(3-chlorophenyl)acetyl)-3...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C22H24Cl2N2O4/c1-15-12-25(13-17-11-19(24)5-6-20(17)30-14-22(28)29)7-8-26(15)21(27)10-16-3-2-4-18(23)9-16/h2-6,9,11,15H,7-8,10,12-14H2,1H3,(H,28,29)/t15-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50124531
PNG
(4-[4'-amino-5'-fluorospiro[hexahydropyridine-4,2'-...)
Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccc(cc2)C#N)Nc2cccc(F)c12
Show InChI InChI=1S/C20H18FN5O/c21-15-2-1-3-16-17(15)18(23)25-20(24-16)8-10-26(11-9-20)19(27)14-6-4-13(12-22)5-7-14/h1-7,24H,8-11H2,(H2,23,25)
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n/an/a 27n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human inducible nitiric oxide synthase


J Med Chem 46: 913-6 (2003)


Article DOI: 10.1021/jm0255926
BindingDB Entry DOI: 10.7270/Q2S75H3M
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339764
PNG
((R)-2-(4-chloro-2-((3-methyl-4-(phenylsulfonyl)pip...)
Show SMILES C[C@@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H23ClN2O5S/c1-15-12-22(9-10-23(15)29(26,27)18-5-3-2-4-6-18)13-16-11-17(21)7-8-19(16)28-14-20(24)25/h2-8,11,15H,9-10,12-14H2,1H3,(H,24,25)/t15-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339765
PNG
(CHEMBL1689122 | rac-2-(4-chloro-2-((2-methyl-4-(ph...)
Show SMILES CC1CN(CCN1Cc1cc(Cl)ccc1OCC(O)=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H23ClN2O5S/c1-15-12-23(29(26,27)18-5-3-2-4-6-18)10-9-22(15)13-16-11-17(21)7-8-19(16)28-14-20(24)25/h2-8,11,15H,9-10,12-14H2,1H3,(H,24,25)
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n/an/a 28n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339750
PNG
((S)-2-(4-chloro-2-((3-methyl-4-(phenylsulfonyl)pip...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H23ClN2O5S/c1-15-12-22(9-10-23(15)29(26,27)18-5-3-2-4-6-18)13-16-11-17(21)7-8-19(16)28-14-20(24)25/h2-8,11,15H,9-10,12-14H2,1H3,(H,24,25)/t15-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339756
PNG
((S)-2-(4-chloro-2-((3-ethyl-4-(phenylsulfonyl)pipe...)
Show SMILES CC[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H25ClN2O5S/c1-2-18-14-23(10-11-24(18)30(27,28)19-6-4-3-5-7-19)13-16-12-17(22)8-9-20(16)29-15-21(25)26/h3-9,12,18H,2,10-11,13-15H2,1H3,(H,25,26)/t18-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50124521
PNG
(CHEMBL174290 | ethyl 4'-amino-5'-fluorospiro[hexah...)
Show SMILES CCOC(=O)N1CCC2(CC1)Nc1cccc(F)c1C(N)=N2
Show InChI InChI=1S/C15H19FN4O2/c1-2-22-14(21)20-8-6-15(7-9-20)18-11-5-3-4-10(16)12(11)13(17)19-15/h3-5,18H,2,6-9H2,1H3,(H2,17,19)
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n/an/a 35n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human inducible nitiric oxide synthase


J Med Chem 46: 913-6 (2003)


Article DOI: 10.1021/jm0255926
BindingDB Entry DOI: 10.7270/Q2S75H3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50124535
PNG
(1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[...)
Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccc(nc2)C#N)Nc2c(F)ccc(F)c12
Show InChI InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26)
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n/an/a 37n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human inducible nitiric oxide synthase


J Med Chem 46: 913-6 (2003)


Article DOI: 10.1021/jm0255926
BindingDB Entry DOI: 10.7270/Q2S75H3M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339763
PNG
((S)-2-(4-chloro-2-((4-(2-(4-chlorophenyl)-2-methyl...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)C(C)(C)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H28Cl2N2O4/c1-16-13-27(14-17-12-20(26)8-9-21(17)32-15-22(29)30)10-11-28(16)23(31)24(2,3)18-4-6-19(25)7-5-18/h4-9,12,16H,10-11,13-15H2,1-3H3,(H,29,30)/t16-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50124533
PNG
(2-methylsulfanylethyl 4'-amino-5'-fluorospiro[hexa...)
Show SMILES CSCCOC(=O)N1CCC2(CC1)Nc1cccc(F)c1C(N)=N2
Show InChI InChI=1S/C16H21FN4O2S/c1-24-10-9-23-15(22)21-7-5-16(6-8-21)19-12-4-2-3-11(17)13(12)14(18)20-16/h2-4,19H,5-10H2,1H3,(H2,18,20)
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n/an/a 39n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human inducible nitiric oxide synthase


J Med Chem 46: 913-6 (2003)


Article DOI: 10.1021/jm0255926
BindingDB Entry DOI: 10.7270/Q2S75H3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50124532
PNG
(CHEMBL366978 | ethyl 4'-amino-5'-chlorospiro[hexah...)
Show SMILES CCOC(=O)N1CCC2(CC1)Nc1cccc(Cl)c1C(N)=N2
Show InChI InChI=1S/C15H19ClN4O2/c1-2-22-14(21)20-8-6-15(7-9-20)18-11-5-3-4-10(16)12(11)13(17)19-15/h3-5,18H,2,6-9H2,1H3,(H2,17,19)
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n/an/a 47n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human inducible nitiric oxide synthase


J Med Chem 46: 913-6 (2003)


Article DOI: 10.1021/jm0255926
BindingDB Entry DOI: 10.7270/Q2S75H3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50124520
PNG
(4-[4'-amino-5',8'-difluorospiro[hexahydropyridine-...)
Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccc(cc2)C#N)Nc2c(F)ccc(F)c12
Show InChI InChI=1S/C20H17F2N5O/c21-14-5-6-15(22)17-16(14)18(24)26-20(25-17)7-9-27(10-8-20)19(28)13-3-1-12(11-23)2-4-13/h1-6,25H,7-10H2,(H2,24,26)
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n/an/a 48n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human inducible nitiric oxide synthase


J Med Chem 46: 913-6 (2003)


Article DOI: 10.1021/jm0255926
BindingDB Entry DOI: 10.7270/Q2S75H3M
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339766
PNG
(2-(2-{[(3S)-4-(benzylsulfonyl)-3-methylpiperazin-1...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2CC(=O)NS(C)(=O)=O)CCN1S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C22H28ClN3O5S2/c1-17-14-25(10-11-26(17)33(30,31)16-18-6-4-3-5-7-18)15-20-12-21(23)9-8-19(20)13-22(27)24-32(2,28)29/h3-9,12,17H,10-11,13-16H2,1-2H3,(H,24,27)/t17-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50124529
PNG
(5-Fluoro-2-(4-fluoro-phenyl)-1,2-dihydro-quinazoli...)
Show SMILES NC1=NC(Nc2cccc(F)c12)c1ccc(F)cc1
Show InChI InChI=1S/C14H11F2N3/c15-9-6-4-8(5-7-9)14-18-11-3-1-2-10(16)12(11)13(17)19-14/h1-7,14,18H,(H2,17,19)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human inducible nitiric oxide synthase


J Med Chem 46: 913-6 (2003)


Article DOI: 10.1021/jm0255926
BindingDB Entry DOI: 10.7270/Q2S75H3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50124519
PNG
(5,8-Difluoro-2-furan-2-yl-1,2-dihydro-quinazolin-4...)
Show SMILES NC1=NC(Nc2c(F)ccc(F)c12)c1ccco1
Show InChI InChI=1S/C12H9F2N3O/c13-6-3-4-7(14)10-9(6)11(15)17-12(16-10)8-2-1-5-18-8/h1-5,12,16H,(H2,15,17)
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n/an/a 60n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitiric oxide synthase


J Med Chem 46: 913-6 (2003)


Article DOI: 10.1021/jm0255926
BindingDB Entry DOI: 10.7270/Q2S75H3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50124525
PNG
(4'-amino-5'-fluorospiro[hexahydropyridine-4,2'-(1'...)
Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccsc2)Nc2cccc(F)c12
Show InChI InChI=1S/C17H17FN4OS/c18-12-2-1-3-13-14(12)15(19)21-17(20-13)5-7-22(8-6-17)16(23)11-4-9-24-10-11/h1-4,9-10,20H,5-8H2,(H2,19,21)
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n/an/a 67n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human inducible nitiric oxide synthase


J Med Chem 46: 913-6 (2003)


Article DOI: 10.1021/jm0255926
BindingDB Entry DOI: 10.7270/Q2S75H3M
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339765
PNG
(CHEMBL1689122 | rac-2-(4-chloro-2-((2-methyl-4-(ph...)
Show SMILES CC1CN(CCN1Cc1cc(Cl)ccc1OCC(O)=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H23ClN2O5S/c1-15-12-23(29(26,27)18-5-3-2-4-6-18)10-9-22(15)13-16-11-17(21)7-8-19(16)28-14-20(24)25/h2-8,11,15H,9-10,12-14H2,1H3,(H,24,25)
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n/an/a 71n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339768
PNG
(2-(4-chloro-2-(((3S,5R)-3,5-dimethyl-4-(2-phenylac...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)C[C@@H](C)N1C(=O)Cc1ccccc1
Show InChI InChI=1S/C23H27ClN2O4/c1-16-12-25(14-19-11-20(24)8-9-21(19)30-15-23(28)29)13-17(2)26(16)22(27)10-18-6-4-3-5-7-18/h3-9,11,16-17H,10,12-15H2,1-2H3,(H,28,29)/t16-,17+
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n/an/a 71n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339767
PNG
(CHEMBL1689121 | rac-2-(2-((4-benzoyl-3-methylpiper...)
Show SMILES CC1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)c1ccccc1
Show InChI InChI=1S/C21H23ClN2O4/c1-15-12-23(9-10-24(15)21(27)16-5-3-2-4-6-16)13-17-11-18(22)7-8-19(17)28-14-20(25)26/h2-8,11,15H,9-10,12-14H2,1H3,(H,25,26)
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n/an/a 71n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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n/an/a 77n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339770
PNG
(3-(4-Chloro-2-{[(3S)-3-methyl-4-(phenylacetyl)pipe...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2CCC(O)=O)CCN1C(=O)Cc1ccccc1
Show InChI InChI=1S/C23H27ClN2O3/c1-17-15-25(11-12-26(17)22(27)13-18-5-3-2-4-6-18)16-20-14-21(24)9-7-19(20)8-10-23(28)29/h2-7,9,14,17H,8,10-13,15-16H2,1H3,(H,28,29)/t17-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
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