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Compile Data Set for Download or QSAR

Found 676 hits with Last Name = 'nishiyama' and Initial = 't'   
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 D2 receptor


(Mus musculus)
BDBM50357626
PNG
(CHEMBL1915856)
Show SMILES CN1C[C@@H](COc2cc(C)c(C(=O)Nc3cc(CC(O)=O)ccc3Cl)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C27H27ClN2O5/c1-16-10-19(34-15-20-14-30(3)23-6-4-5-7-24(23)35-20)11-17(2)26(16)27(33)29-22-12-18(13-25(31)32)8-9-21(22)28/h4-12,20H,13-15H2,1-3H3,(H,29,33)(H,31,32)/t20-/m0/s1
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6.40n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from mouse DP receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Mus musculus)
BDBM50351489
PNG
(CHEMBL1819614)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3Cl)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C26H25ClN2O5/c1-16-11-18(33-15-19-14-29(2)23-5-3-4-6-24(23)34-19)8-9-20(16)26(32)28-22-12-17(13-25(30)31)7-10-21(22)27/h3-12,19H,13-15H2,1-2H3,(H,28,32)(H,30,31)/t19-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from mouse DP receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Mus musculus)
BDBM50351483
PNG
(CHEMBL1819622)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3Cl)c(Cl)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C25H22Cl2N2O5/c1-29-13-17(34-23-5-3-2-4-22(23)29)14-33-16-7-8-18(20(27)12-16)25(32)28-21-10-15(11-24(30)31)6-9-19(21)26/h2-10,12,17H,11,13-14H2,1H3,(H,28,32)(H,30,31)/t17-/m0/s1
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13n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from mouse DP receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Mus musculus)
BDBM50152515
PNG
(CHEMBL364841 | {2-Methyl-1-[4-(4-methyl-3,4-dihydr...)
Show SMILES CN1C[C@@H](COc2ccc(cc2)C(=O)n2c(C)cc3c(CC(O)=O)cccc23)Oc2ccccc12
Show InChI InChI=1S/C28H26N2O5/c1-18-14-23-20(15-27(31)32)6-5-8-24(23)30(18)28(33)19-10-12-21(13-11-19)34-17-22-16-29(2)25-7-3-4-9-26(25)35-22/h3-14,22H,15-17H2,1-2H3,(H,31,32)/t22-/m0/s1
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16n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from mouse DP receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Mus musculus)
BDBM50351486
PNG
(CHEMBL1819609)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(Cl)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C25H23ClN2O5/c1-28-14-19(33-23-8-3-2-7-22(23)28)15-32-18-9-10-20(21(26)13-18)25(31)27-17-6-4-5-16(11-17)12-24(29)30/h2-11,13,19H,12,14-15H2,1H3,(H,27,31)(H,29,30)/t19-/m0/s1
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16n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from mouse DP receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Mus musculus)
BDBM50351484
PNG
(CHEMBL1819623)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3F)c(Cl)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C25H22ClFN2O5/c1-29-13-17(34-23-5-3-2-4-22(23)29)14-33-16-7-8-18(19(26)12-16)25(32)28-21-10-15(11-24(30)31)6-9-20(21)27/h2-10,12,17H,11,13-14H2,1H3,(H,28,32)(H,30,31)/t17-/m0/s1
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17n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from mouse DP receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Mus musculus)
BDBM50351480
PNG
(CHEMBL1819608)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C26H26N2O5/c1-17-12-20(32-16-21-15-28(2)23-8-3-4-9-24(23)33-21)10-11-22(17)26(31)27-19-7-5-6-18(13-19)14-25(29)30/h3-13,21H,14-16H2,1-2H3,(H,27,31)(H,29,30)/t21-/m0/s1
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18n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from mouse DP receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Mus musculus)
BDBM50351490
PNG
(CHEMBL1819615)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3F)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C26H25FN2O5/c1-16-11-18(33-15-19-14-29(2)23-5-3-4-6-24(23)34-19)8-9-20(16)26(32)28-22-12-17(13-25(30)31)7-10-21(22)27/h3-12,19H,13-15H2,1-2H3,(H,28,32)(H,30,31)/t19-/m0/s1
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19n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from mouse DP receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Mus musculus)
BDBM50351494
PNG
(CHEMBL1819619)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3C)c(Cl)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C26H25ClN2O5/c1-16-7-8-17(12-25(30)31)11-22(16)28-26(32)20-10-9-18(13-21(20)27)33-15-19-14-29(2)23-5-3-4-6-24(23)34-19/h3-11,13,19H,12,14-15H2,1-2H3,(H,28,32)(H,30,31)/t19-/m0/s1
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26n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from mouse DP receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Mus musculus)
BDBM50357627
PNG
(CHEMBL1915676)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3Cl)c(C)c2C)Oc2ccccc12 |r|
Show InChI InChI=1S/C27H27ClN2O5/c1-16-17(2)24(34-15-19-14-30(3)23-6-4-5-7-25(23)35-19)11-9-20(16)27(33)29-22-12-18(13-26(31)32)8-10-21(22)28/h4-12,19H,13-15H2,1-3H3,(H,29,33)(H,31,32)/t19-/m0/s1
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28n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from mouse DP receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Mus musculus)
BDBM50351481
PNG
(CHEMBL1819611)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3C)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C27H28N2O5/c1-17-8-9-19(14-26(30)31)13-23(17)28-27(32)22-11-10-20(12-18(22)2)33-16-21-15-29(3)24-6-4-5-7-25(24)34-21/h4-13,21H,14-16H2,1-3H3,(H,28,32)(H,30,31)/t21-/m0/s1
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31n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from mouse DP receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50152515
PNG
(CHEMBL364841 | {2-Methyl-1-[4-(4-methyl-3,4-dihydr...)
Show SMILES CN1C[C@@H](COc2ccc(cc2)C(=O)n2c(C)cc3c(CC(O)=O)cccc23)Oc2ccccc12
Show InChI InChI=1S/C28H26N2O5/c1-18-14-23-20(15-27(31)32)6-5-8-24(23)30(18)28(33)19-10-12-21(13-11-19)34-17-22-16-29(2)25-7-3-4-9-26(25)35-22/h3-14,22H,15-17H2,1-2H3,(H,31,32)/t22-/m0/s1
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37n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Mus musculus)
BDBM50351485
PNG
(CHEMBL1819603)
Show SMILES CN1C[C@@H](COc2ccc(cc2)C(=O)Nc2cccc(CC(O)=O)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C25H24N2O5/c1-27-15-21(32-23-8-3-2-7-22(23)27)16-31-20-11-9-18(10-12-20)25(30)26-19-6-4-5-17(13-19)14-24(28)29/h2-13,21H,14-16H2,1H3,(H,26,30)(H,28,29)/t21-/m0/s1
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310n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from mouse DP receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357636
PNG
(CHEMBL1915866)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(ccc3Cl)C(F)(F)C(O)=O)c(Cl)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C25H20Cl2F2N2O5/c1-31-12-16(36-22-5-3-2-4-21(22)31)13-35-15-7-8-17(19(27)11-15)23(32)30-20-10-14(6-9-18(20)26)25(28,29)24(33)34/h2-11,16H,12-13H2,1H3,(H,30,32)(H,33,34)/t16-/m0/s1
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520n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50351494
PNG
(CHEMBL1819619)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3C)c(Cl)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C26H25ClN2O5/c1-16-7-8-17(12-25(30)31)11-22(16)28-26(32)20-10-9-18(13-21(20)27)33-15-19-14-29(2)23-5-3-4-6-24(23)34-19/h3-11,13,19H,12,14-15H2,1-2H3,(H,28,32)(H,30,31)/t19-/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50351483
PNG
(CHEMBL1819622)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3Cl)c(Cl)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C25H22Cl2N2O5/c1-29-13-17(34-23-5-3-2-4-22(23)29)14-33-16-7-8-18(20(27)12-16)25(32)28-21-10-15(11-24(30)31)6-9-19(21)26/h2-10,12,17H,11,13-14H2,1H3,(H,28,32)(H,30,31)/t17-/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357619
PNG
(CHEMBL1915864)
Show SMILES CN1C[C@@H](COc2cc(C)c(cc2C)C(=O)Nc2cc(ccc2Cl)C2(CC2)C(O)=O)Oc2ccccc12 |r|
Show InChI InChI=1S/C29H29ClN2O5/c1-17-13-26(36-16-20-15-32(3)24-6-4-5-7-25(24)37-20)18(2)12-21(17)27(33)31-23-14-19(8-9-22(23)30)29(10-11-29)28(34)35/h4-9,12-14,20H,10-11,15-16H2,1-3H3,(H,31,33)(H,34,35)/t20-/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Mus musculus)
BDBM50357625
PNG
(CHEMBL1915669)
Show SMILES CN1C[C@@H](COc2ccc(cc2)C(=O)n2ccc3c(CC(O)=O)cccc23)Oc2ccccc12 |r|
Show InChI InChI=1S/C27H24N2O5/c1-28-16-21(34-25-8-3-2-6-24(25)28)17-33-20-11-9-18(10-12-20)27(32)29-14-13-22-19(15-26(30)31)5-4-7-23(22)29/h2-14,21H,15-17H2,1H3,(H,30,31)/t21-/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from mouse DP receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50351489
PNG
(CHEMBL1819614)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3Cl)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C26H25ClN2O5/c1-16-11-18(33-15-19-14-29(2)23-5-3-4-6-24(23)34-19)8-9-20(16)26(32)28-22-12-17(13-25(30)31)7-10-21(22)27/h3-12,19H,13-15H2,1-2H3,(H,28,32)(H,30,31)/t19-/m0/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357637
PNG
(CHEMBL1915677)
Show SMILES CN1C[C@@H](COc2cc(C)c(cc2C)C(=O)Nc2cc(CC(O)=O)ccc2Cl)Oc2ccccc12 |r|
Show InChI InChI=1S/C27H27ClN2O5/c1-16-11-25(34-15-19-14-30(3)23-6-4-5-7-24(23)35-19)17(2)10-20(16)27(33)29-22-12-18(13-26(31)32)8-9-21(22)28/h4-12,19H,13-15H2,1-3H3,(H,29,33)(H,31,32)/t19-/m0/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357625
PNG
(CHEMBL1915669)
Show SMILES CN1C[C@@H](COc2ccc(cc2)C(=O)n2ccc3c(CC(O)=O)cccc23)Oc2ccccc12 |r|
Show InChI InChI=1S/C27H24N2O5/c1-28-16-21(34-25-8-3-2-6-24(25)28)17-33-20-11-9-18(10-12-20)27(32)29-14-13-22-19(15-26(30)31)5-4-7-23(22)29/h2-14,21H,15-17H2,1H3,(H,30,31)/t21-/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50351481
PNG
(CHEMBL1819611)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3C)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C27H28N2O5/c1-17-8-9-19(14-26(30)31)13-23(17)28-27(32)22-11-10-20(12-18(22)2)33-16-21-15-29(3)24-6-4-5-7-25(24)34-21/h4-13,21H,14-16H2,1-3H3,(H,28,32)(H,30,31)/t21-/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357639
PNG
(CHEMBL1915674)
Show SMILES CN1C[C@@H](COc2cc(C)c(cc2C)C(=O)Nc2cc(CC(O)=O)ccc2C)Oc2ccccc12 |r|
Show InChI InChI=1S/C28H30N2O5/c1-17-9-10-20(14-27(31)32)13-23(17)29-28(33)22-11-19(3)26(12-18(22)2)34-16-21-15-30(4)24-7-5-6-8-25(24)35-21/h5-13,21H,14-16H2,1-4H3,(H,29,33)(H,31,32)/t21-/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50351486
PNG
(CHEMBL1819609)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(Cl)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C25H23ClN2O5/c1-28-14-19(33-23-8-3-2-7-22(23)28)15-32-18-9-10-20(21(26)13-18)25(31)27-17-6-4-5-16(11-17)12-24(29)30/h2-11,13,19H,12,14-15H2,1H3,(H,27,31)(H,29,30)/t19-/m0/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357633
PNG
(CHEMBL1915861)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(ccc3Cl)C(C)(C)C(O)=O)c(Cl)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C27H26Cl2N2O5/c1-27(2,26(33)34)16-8-11-20(28)22(12-16)30-25(32)19-10-9-17(13-21(19)29)35-15-18-14-31(3)23-6-4-5-7-24(23)36-18/h4-13,18H,14-15H2,1-3H3,(H,30,32)(H,33,34)/t18-/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357634
PNG
(CHEMBL1915862)
Show SMILES CN1C[C@@H](COc2cc(C)c(cc2C)C(=O)Nc2cc(ccc2Cl)C(C)(C)C(O)=O)Oc2ccccc12 |r|
Show InChI InChI=1S/C29H31ClN2O5/c1-17-13-26(36-16-20-15-32(5)24-8-6-7-9-25(24)37-20)18(2)12-21(17)27(33)31-23-14-19(10-11-22(23)30)29(3,4)28(34)35/h6-14,20H,15-16H2,1-5H3,(H,31,33)(H,34,35)/t20-/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357627
PNG
(CHEMBL1915676)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3Cl)c(C)c2C)Oc2ccccc12 |r|
Show InChI InChI=1S/C27H27ClN2O5/c1-16-17(2)24(34-15-19-14-30(3)23-6-4-5-7-25(23)35-19)11-9-20(16)27(33)29-22-12-18(13-26(31)32)8-10-21(22)28/h4-12,19H,13-15H2,1-3H3,(H,29,33)(H,31,32)/t19-/m0/s1
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3.50E+3n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50351480
PNG
(CHEMBL1819608)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C26H26N2O5/c1-17-12-20(32-16-21-15-28(2)23-8-3-4-9-24(23)33-21)10-11-22(17)26(31)27-19-7-5-6-18(13-19)14-25(29)30/h3-13,21H,14-16H2,1-2H3,(H,27,31)(H,29,30)/t21-/m0/s1
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3.60E+3n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357621
PNG
(CHEMBL1915673)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3C)c(C)c2C)Oc2ccccc12 |r|
Show InChI InChI=1S/C28H30N2O5/c1-17-9-10-20(14-27(31)32)13-23(17)29-28(33)22-11-12-25(19(3)18(22)2)34-16-21-15-30(4)24-7-5-6-8-26(24)35-21/h5-13,21H,14-16H2,1-4H3,(H,29,33)(H,31,32)/t21-/m0/s1
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5.20E+3n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50351485
PNG
(CHEMBL1819603)
Show SMILES CN1C[C@@H](COc2ccc(cc2)C(=O)Nc2cccc(CC(O)=O)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C25H24N2O5/c1-27-15-21(32-23-8-3-2-7-22(23)27)16-31-20-11-9-18(10-12-20)25(30)26-19-6-4-5-17(13-19)14-24(28)29/h2-13,21H,14-16H2,1H3,(H,26,30)(H,28,29)/t21-/m0/s1
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6.40E+3n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357629
PNG
(CHEMBL1915858)
Show SMILES Cc1cc(OC[C@@H]2COc3ccccc23)cc(C)c1C(=O)Nc1cc(CC(O)=O)ccc1Cl |r|
Show InChI InChI=1S/C26H24ClNO5/c1-15-9-19(32-13-18-14-33-23-6-4-3-5-20(18)23)10-16(2)25(15)26(31)28-22-11-17(12-24(29)30)7-8-21(22)27/h3-11,18H,12-14H2,1-2H3,(H,28,31)(H,29,30)/t18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357635
PNG
(CHEMBL1915863)
Show SMILES CN1C[C@@H](COc2cc(C)c(C(=O)Nc3cc(ccc3Cl)C(C)(C)C(O)=O)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C29H31ClN2O5/c1-17-12-20(36-16-21-15-32(5)24-8-6-7-9-25(24)37-21)13-18(2)26(17)27(33)31-23-14-19(10-11-22(23)30)29(3,4)28(34)35/h6-14,21H,15-16H2,1-5H3,(H,31,33)(H,34,35)/t21-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357628
PNG
(CHEMBL1915857)
Show SMILES Cc1cc(OC[C@@H]2COc3ccccc3O2)cc(C)c1C(=O)Nc1cc(CC(O)=O)ccc1Cl |r|
Show InChI InChI=1S/C26H24ClNO6/c1-15-9-18(32-13-19-14-33-22-5-3-4-6-23(22)34-19)10-16(2)25(15)26(31)28-21-11-17(12-24(29)30)7-8-20(21)27/h3-11,19H,12-14H2,1-2H3,(H,28,31)(H,29,30)/t19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357620
PNG
(CHEMBL1915865)
Show SMILES CN1C[C@@H](COc2cc(C)c(C(=O)Nc3cc(ccc3Cl)C3(CC3)C(O)=O)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C29H29ClN2O5/c1-17-12-20(36-16-21-15-32(3)24-6-4-5-7-25(24)37-21)13-18(2)26(17)27(33)31-23-14-19(8-9-22(23)30)29(10-11-29)28(34)35/h4-9,12-14,21H,10-11,15-16H2,1-3H3,(H,31,33)(H,34,35)/t21-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357626
PNG
(CHEMBL1915856)
Show SMILES CN1C[C@@H](COc2cc(C)c(C(=O)Nc3cc(CC(O)=O)ccc3Cl)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C27H27ClN2O5/c1-16-10-19(34-15-20-14-30(3)23-6-4-5-7-24(23)35-20)11-17(2)26(16)27(33)29-22-12-18(13-25(31)32)8-9-21(22)28/h4-12,20H,13-15H2,1-3H3,(H,29,33)(H,31,32)/t20-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357622
PNG
(CHEMBL1915672)
Show SMILES CN1C[C@@H](COc2cc(C)c(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C27H28N2O5/c1-17-11-21(33-16-22-15-29(3)23-9-4-5-10-24(23)34-22)12-18(2)26(17)27(32)28-20-8-6-7-19(13-20)14-25(30)31/h4-13,22H,14-16H2,1-3H3,(H,28,32)(H,30,31)/t22-/m0/s1
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Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357623
PNG
(CHEMBL1915671)
Show SMILES CN1C[C@@H](COc2cc(C)c(cc2C)C(=O)Nc2cccc(CC(O)=O)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C27H28N2O5/c1-17-12-25(33-16-21-15-29(3)23-9-4-5-10-24(23)34-21)18(2)11-22(17)27(32)28-20-8-6-7-19(13-20)14-26(30)31/h4-13,21H,14-16H2,1-3H3,(H,28,32)(H,30,31)/t21-/m0/s1
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Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357624
PNG
(CHEMBL1915670)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2C)Oc2ccccc12 |r|
Show InChI InChI=1S/C27H28N2O5/c1-17-18(2)24(33-16-21-15-29(3)23-9-4-5-10-25(23)34-21)12-11-22(17)27(32)28-20-8-6-7-19(13-20)14-26(30)31/h4-13,21H,14-16H2,1-3H3,(H,28,32)(H,30,31)/t21-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50351484
PNG
(CHEMBL1819623)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3F)c(Cl)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C25H22ClFN2O5/c1-29-13-17(34-23-5-3-2-4-22(23)29)14-33-16-7-8-18(19(26)12-16)25(32)28-21-10-15(11-24(30)31)6-9-20(21)27/h2-10,12,17H,11,13-14H2,1H3,(H,28,32)(H,30,31)/t17-/m0/s1
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Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50351490
PNG
(CHEMBL1819615)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3F)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C26H25FN2O5/c1-16-11-18(33-15-19-14-29(2)23-5-3-4-6-24(23)34-19)8-9-20(16)26(32)28-22-12-17(13-25(30)31)7-10-21(22)27/h3-12,19H,13-15H2,1-2H3,(H,28,32)(H,30,31)/t19-/m0/s1
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Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357638
PNG
(CHEMBL1915675)
Show SMILES CN1C[C@@H](COc2cc(C)c(C(=O)Nc3cc(CC(O)=O)ccc3C)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C28H30N2O5/c1-17-9-10-20(14-26(31)32)13-23(17)29-28(33)27-18(2)11-21(12-19(27)3)34-16-22-15-30(4)24-7-5-6-8-25(24)35-22/h5-13,22H,14-16H2,1-4H3,(H,29,33)(H,31,32)/t22-/m0/s1
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Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357631
PNG
(CHEMBL1915860)
Show SMILES Cc1cc(OCC2Oc3ccccc3O2)cc(C)c1C(=O)Nc1cc(CC(O)=O)ccc1Cl
Show InChI InChI=1S/C25H22ClNO6/c1-14-9-17(31-13-23-32-20-5-3-4-6-21(20)33-23)10-15(2)24(14)25(30)27-19-11-16(12-22(28)29)7-8-18(19)26/h3-11,23H,12-13H2,1-2H3,(H,27,30)(H,28,29)
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Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357632
PNG
(CHEMBL1915867)
Show SMILES Cc1ccc2OC[C@@H](COc3cc(C)c(C(=O)Nc4cc(CC(O)=O)ccc4Cl)c(C)c3)c2c1 |r|
Show InChI InChI=1S/C27H26ClNO5/c1-15-4-7-24-21(8-15)19(14-34-24)13-33-20-9-16(2)26(17(3)10-20)27(32)29-23-11-18(12-25(30)31)5-6-22(23)28/h4-11,19H,12-14H2,1-3H3,(H,29,32)(H,30,31)/t19-/m1/s1
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Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50357630
PNG
(CHEMBL1915859)
Show SMILES Cc1cc(OC[C@@H]2Cc3ccccc3O2)cc(C)c1C(=O)Nc1cc(CC(O)=O)ccc1Cl |r|
Show InChI InChI=1S/C26H24ClNO5/c1-15-9-19(32-14-20-13-18-5-3-4-6-23(18)33-20)10-16(2)25(15)26(31)28-22-11-17(12-24(29)30)7-8-21(22)27/h3-11,20H,12-14H2,1-2H3,(H,28,31)(H,29,30)/t20-/m0/s1
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Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Mus musculus)
BDBM50357635
PNG
(CHEMBL1915863)
Show SMILES CN1C[C@@H](COc2cc(C)c(C(=O)Nc3cc(ccc3Cl)C(C)(C)C(O)=O)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C29H31ClN2O5/c1-17-12-20(36-16-21-15-32(5)24-8-6-7-9-25(24)37-21)13-18(2)26(17)27(33)31-23-14-19(10-11-22(23)30)29(3,4)28(34)35/h6-14,21H,15-16H2,1-5H3,(H,31,33)(H,34,35)/t21-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid DP receptor expressed in CHO cells assessed as inhibition of PGD2-induced intracellular cAMP production after...


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Mus musculus)
BDBM50357620
PNG
(CHEMBL1915865)
Show SMILES CN1C[C@@H](COc2cc(C)c(C(=O)Nc3cc(ccc3Cl)C3(CC3)C(O)=O)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C29H29ClN2O5/c1-17-12-20(36-16-21-15-32(3)24-6-4-5-7-25(24)37-21)13-18(2)26(17)27(33)31-23-14-19(8-9-22(23)30)29(10-11-29)28(34)35/h4-9,12-14,21H,10-11,15-16H2,1-3H3,(H,31,33)(H,34,35)/t21-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid DP receptor expressed in CHO cells assessed as inhibition of PGD2-induced intracellular cAMP production after...


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50198936
PNG
((R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4...)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C1CCCCC1
Show InChI InChI=1S/C32H43N3O4/c1-2-3-20-35-30(37)28(29(36)25-10-6-4-7-11-25)33-31(38)32(35)18-21-34(22-19-32)23-24-14-16-27(17-15-24)39-26-12-8-5-9-13-26/h5,8-9,12-17,25,28-29,36H,2-4,6-7,10-11,18-23H2,1H3,(H,33,38)/t28-,29-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cells


Bioorg Med Chem Lett 17: 727-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.084
BindingDB Entry DOI: 10.7270/Q2XK8GCM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM238267
PNG
(US9394250, 99)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)C1CCC(CC1)C(N)=N)N1CCN(CC1)S(C)(=O)=O |r,wU:19.36,17.18,(10.48,2.25,;9.14,3.02,;7.81,2.25,;7.81,.71,;6.48,3.02,;5.14,2.25,;5.14,.71,;3.81,-.06,;2.47,.71,;2.47,2.25,;3.81,3.02,;1.14,-.06,;-.32,.41,;-1.23,-.83,;-.32,-2.08,;1.14,-1.6,;2.47,-2.37,;-2.56,-.53,;-3.04,.93,;-4.58,.93,;-5.05,-.53,;-3.81,-1.44,;-3.81,-2.98,;-2.47,-3.75,;-5.14,-3.75,;-6.48,-2.98,;-7.81,-3.75,;-7.81,-5.29,;-6.48,-6.06,;-5.14,-5.29,;-9.14,-6.06,;-9.14,-7.6,;-10.48,-5.29,;-5.35,2.26,;-4.58,3.6,;-5.35,4.93,;-6.89,4.93,;-7.66,3.6,;-6.89,2.26,;-7.66,6.27,;-8.43,7.6,;-6.32,7.04,;-8.99,5.5,)|
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n/an/a 1.20n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6...


US Patent US9394250 (2016)


BindingDB Entry DOI: 10.7270/Q2222SP5
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM294112
PNG
(US10336741, Example 99 | US10882855, Example 99 | ...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)N1CCN(CC1)S(C)(=O)=O |r|
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n/an/a 1.20n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

US Patent


Assay Description
Inhibitory activities of compounds of the present invention against factor XIa, Xa, XIIa, IXa, VIIa, plasma kallikrein or thrombin were evaluated usi...


US Patent US10336741 (2019)


BindingDB Entry DOI: 10.7270/Q2CR5WQP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM294112
PNG
(US10336741, Example 99 | US10882855, Example 99 | ...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)N1CCN(CC1)S(C)(=O)=O |r|
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n/an/a 1.20n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6...


US Patent US9585881 (2017)


BindingDB Entry DOI: 10.7270/Q2D50Q0R
More data for this
Ligand-Target Pair
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