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Compile Data Set for Download or QSAR

Found 496 hits with Last Name = 'behan' and Initial = 'dp'   
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
PTGIR


(RAT)
BDBM23954
PNG
(5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...)
Show SMILES CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O
Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
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1n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from recombinant rat IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation count...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235385
PNG
(APD-811 | RALINEPAG | Ralinepag)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18-
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3n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from recombinant human IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation cou...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM23954
PNG
(5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...)
Show SMILES CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O
Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from recombinant human IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation cou...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235370
PNG
(CHEMBL3933704)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1
Show InChI InChI=1/C23H26FNO5/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27/h1-8,13,17-18H,9-12,14-16H2,(H,26,27)/t17-,18-
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7n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from recombinant human IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation cou...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23515
PNG
(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)
Show SMILES OC(=O)c1cccnc1
Show InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
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50n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in CHO cells


J Med Chem 51: 5101-8 (2008)


Article DOI: 10.1021/jm800258p
BindingDB Entry DOI: 10.7270/Q2CF9PWV
More data for this
Ligand-Target Pair
PTGIR


(RAT)
BDBM50235370
PNG
(CHEMBL3933704)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1
Show InChI InChI=1/C23H26FNO5/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27/h1-8,13,17-18H,9-12,14-16H2,(H,26,27)/t17-,18-
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51n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from recombinant rat IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation count...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
PTGIR


(RAT)
BDBM50235385
PNG
(APD-811 | RALINEPAG | Ralinepag)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18-
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76n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from recombinant rat IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation count...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50235385
PNG
(APD-811 | RALINEPAG | Ralinepag)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18-
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143n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligand


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50235370
PNG
(CHEMBL3933704)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1
Show InChI InChI=1/C23H26FNO5/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27/h1-8,13,17-18H,9-12,14-16H2,(H,26,27)/t17-,18-
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210n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligand


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235380
PNG
(CHEMBL3917503)
Show SMILES OS(=O)(=O)CCNC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1/C25H31ClN2O7S/c26-21-10-12-23(13-11-21)28(22-4-2-1-3-5-22)25(30)35-17-20-8-6-19(7-9-20)16-34-18-24(29)27-14-15-36(31,32)33/h1-5,10-13,19-20H,6-9,14-18H2,(H,27,29)(H,31,32,33)/t19-,20-
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400n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from recombinant human IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation cou...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50273099
PNG
(3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[...)
Show SMILES C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C7H8N6/c1-2-4-5(3-1)8-9-6(4)7-10-12-13-11-7/h1-3H2,(H,8,9)(H,10,11,12,13)
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505n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in CHO cells


J Med Chem 51: 5101-8 (2008)


Article DOI: 10.1021/jm800258p
BindingDB Entry DOI: 10.7270/Q2CF9PWV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50235370
PNG
(CHEMBL3933704)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1
Show InChI InChI=1/C23H26FNO5/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27/h1-8,13,17-18H,9-12,14-16H2,(H,26,27)/t17-,18-
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570n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from recombinant human EP2 receptor expressed in HEK293 cell membranes incubated for 1 hr


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50235385
PNG
(APD-811 | RALINEPAG | Ralinepag)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18-
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610n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligand


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50235385
PNG
(APD-811 | RALINEPAG | Ralinepag)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18-
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678n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligand


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50235370
PNG
(CHEMBL3933704)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1
Show InChI InChI=1/C23H26FNO5/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27/h1-8,13,17-18H,9-12,14-16H2,(H,26,27)/t17-,18-
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1.20E+3n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligand


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50235370
PNG
(CHEMBL3933704)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1
Show InChI InChI=1/C23H26FNO5/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27/h1-8,13,17-18H,9-12,14-16H2,(H,26,27)/t17-,18-
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1.85E+3n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from recombinant human DP1 receptor


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50235385
PNG
(APD-811 | RALINEPAG | Ralinepag)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18-
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2.60E+3n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from recombinant human DP1 receptor


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM23954
PNG
(5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...)
Show SMILES CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O
Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
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3.70E+3n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligand


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50235385
PNG
(APD-811 | RALINEPAG | Ralinepag)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18-
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9.60E+3n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligand


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50041691
PNG
(CHEMBL3358920)
Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/s2
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n/an/a 1.90n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Induction of internalization of HA-tagged human S1P1 receptor expressed in CHO cells


ACS Med Chem Lett 5: 1313-7 (2014)


Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM23954
PNG
(5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...)
Show SMILES CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O
Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235375
PNG
(CHEMBL3975122)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1
Show InChI InChI=1/C23H26FNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18-
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n/an/a 12n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235370
PNG
(CHEMBL3933704)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1
Show InChI InChI=1/C23H26FNO5/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27/h1-8,13,17-18H,9-12,14-16H2,(H,26,27)/t17-,18-
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n/an/a 18n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235378
PNG
(CHEMBL3981509)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(F)c2)CC1
Show InChI InChI=1/C23H25F2NO5/c24-20-11-10-19(12-21(20)25)26(18-4-2-1-3-5-18)23(29)31-14-17-8-6-16(7-9-17)13-30-15-22(27)28/h1-5,10-12,16-17H,6-9,13-15H2,(H,27,28)/t16-,17-
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n/an/a 19n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235368
PNG
(CHEMBL3893346)
Show SMILES COc1ccc(cc1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1
Show InChI InChI=1/C24H29NO6/c1-29-22-13-11-21(12-14-22)25(20-5-3-2-4-6-20)24(28)31-16-19-9-7-18(8-10-19)15-30-17-23(26)27/h2-6,11-14,18-19H,7-10,15-17H2,1H3,(H,26,27)/t18-,19-
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n/an/a 22n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235373
PNG
(CHEMBL3928729)
Show SMILES COc1cccc(c1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1
Show InChI InChI=1/C24H29NO6/c1-29-22-9-5-8-21(14-22)25(20-6-3-2-4-7-20)24(28)31-16-19-12-10-18(11-13-19)15-30-17-23(26)27/h2-9,14,18-19H,10-13,15-17H2,1H3,(H,26,27)/t18-,19-
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n/an/a 23n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against cathepsin B


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235376
PNG
(CHEMBL3926078)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)c(F)c2)CC1
Show InChI InChI=1/C23H25ClFNO5/c24-20-11-10-19(12-21(20)25)26(18-4-2-1-3-5-18)23(29)31-14-17-8-6-16(7-9-17)13-30-15-22(27)28/h1-5,10-12,16-17H,6-9,13-15H2,(H,27,28)/t16-,17-
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n/an/a 23n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235367
PNG
(CHEMBL3952237)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1/C23H27NO5/c25-22(26)17-28-15-18-11-13-19(14-12-18)16-29-23(27)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,18-19H,11-17H2,(H,25,26)/t18-,19-
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n/an/a 25n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235389
PNG
(CHEMBL3983767)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2cccc(F)c2)CC1
Show InChI InChI=1/C23H25F2NO5/c24-18-8-10-20(11-9-18)26(21-3-1-2-19(25)12-21)23(29)31-14-17-6-4-16(5-7-17)13-30-15-22(27)28/h1-3,8-12,16-17H,4-7,13-15H2,(H,27,28)/t16-,17-
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n/an/a 30n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235385
PNG
(APD-811 | RALINEPAG | Ralinepag)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18-
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n/an/a 38n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235374
PNG
(CHEMBL3935924)
Show SMILES Cc1ccc(cc1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1
Show InChI InChI=1/C24H29NO5/c1-18-7-13-22(14-8-18)25(21-5-3-2-4-6-21)24(28)30-16-20-11-9-19(10-12-20)15-29-17-23(26)27/h2-8,13-14,19-20H,9-12,15-17H2,1H3,(H,26,27)/t19-,20-
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n/an/a 39n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235379
PNG
(CHEMBL3932106)
Show SMILES COc1ccc(cc1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1cccc(F)c1
Show InChI InChI=1/C24H28FNO6/c1-30-22-11-9-20(10-12-22)26(21-4-2-3-19(25)13-21)24(29)32-15-18-7-5-17(6-8-18)14-31-16-23(27)28/h2-4,9-13,17-18H,5-8,14-16H2,1H3,(H,27,28)/t17-,18-
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n/an/a 43n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235372
PNG
(CHEMBL3966307)
Show SMILES OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1
Show InChI InChI=1/C23H26ClNO5/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27/h1-8,13,17-18H,9-12,14-16H2,(H,26,27)/t17-,18+
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n/an/a 54n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235384
PNG
(CHEMBL3900038)
Show SMILES OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1/C23H27NO5/c25-22(26)17-28-15-18-11-13-19(14-12-18)16-29-23(27)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,18-19H,11-17H2,(H,25,26)/t18-,19+
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n/an/a 54n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235383
PNG
(ACT-293987 | NS-304 | SELEXIPAG | Selexipag | Uptr...)
Show SMILES CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)
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n/an/a 62n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235371
PNG
(CHEMBL3922000)
Show SMILES OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1
Show InChI InChI=1/C23H26FNO5/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27/h1-8,13,17-18H,9-12,14-16H2,(H,26,27)/t17-,18+
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n/an/a 93n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235377
PNG
(CHEMBL3890685)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1/C23H25ClFNO5/c24-20-12-19(10-11-21(20)25)26(18-4-2-1-3-5-18)23(29)31-14-17-8-6-16(7-9-17)13-30-15-22(27)28/h1-5,10-12,16-17H,6-9,13-15H2,(H,27,28)/t16-,17-
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n/an/a 142n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235386
PNG
(CHEMBL3919269)
Show SMILES OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18+
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n/an/a 166n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50235387
PNG
(CHEMBL239226)
Show SMILES CC(C)N(CCCCOCC(O)=O)c1cnc(-c2ccccc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30)
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n/an/a 288n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50211361
PNG
(3-methyl-5-carboxyl-isoxazole | 3-methylisoxazole-...)
Show SMILES Cc1cc(on1)C(O)=O
Show InChI InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)9-6-3/h2H,1H3,(H,7,8)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR109A receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced intracellular cAMP production by Flashplate...


J Biol Chem 282: 18028-36 (2007)


Article DOI: 10.1074/jbc.M701866200
BindingDB Entry DOI: 10.7270/Q2BV7HJC
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50211365
PNG
(3-(3-bromobenzyl)-1H-pyrazole-5-carboxylic acid | ...)
Show SMILES OC(=O)c1cc(Cc2cccc(Br)c2)[nH]n1
Show InChI InChI=1S/C11H9BrN2O2/c12-8-3-1-2-7(4-8)5-9-6-10(11(15)16)14-13-9/h1-4,6H,5H2,(H,13,14)(H,15,16)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR109A receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced intracellular cAMP production by Flashplate...


J Biol Chem 282: 18028-36 (2007)


Article DOI: 10.1074/jbc.M701866200
BindingDB Entry DOI: 10.7270/Q2BV7HJC
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50211364
PNG
(3-(3-fluorobenzyl)-1H-pyrazole-5-carboxylic acid |...)
Show SMILES OC(=O)c1cc(Cc2cccc(F)c2)[nH]n1
Show InChI InChI=1S/C11H9FN2O2/c12-8-3-1-2-7(4-8)5-9-6-10(11(15)16)14-13-9/h1-4,6H,5H2,(H,13,14)(H,15,16)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR109A receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced intracellular cAMP production by Flashplate...


J Biol Chem 282: 18028-36 (2007)


Article DOI: 10.1074/jbc.M701866200
BindingDB Entry DOI: 10.7270/Q2BV7HJC
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50211363
PNG
(3-isopropyl-1H-pyrazole-5-carboxylic acid | 5-Isop...)
Show SMILES CC(C)c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR109A receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced intracellular cAMP production by Flashplate...


J Biol Chem 282: 18028-36 (2007)


Article DOI: 10.1074/jbc.M701866200
BindingDB Entry DOI: 10.7270/Q2BV7HJC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50041691
PNG
(CHEMBL3358920)
Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/s2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor


ACS Med Chem Lett 5: 1313-7 (2014)


Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50216550
PNG
(3-(3-chlorobenzyl)-1H-pyrazole-5-carboxylic acid |...)
Show SMILES OC(=O)c1cc(Cc2cccc(Cl)c2)[nH]n1
Show InChI InChI=1S/C11H9ClN2O2/c12-8-3-1-2-7(4-8)5-9-6-10(11(15)16)14-13-9/h1-4,6H,5H2,(H,13,14)(H,15,16)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR109A receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced intracellular cAMP production by Flashplate...


J Biol Chem 282: 18028-36 (2007)


Article DOI: 10.1074/jbc.M701866200
BindingDB Entry DOI: 10.7270/Q2BV7HJC
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50041982
PNG
(CHEMBL3359522)
Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C#N
Show InChI InChI=1/C24H23ClN2O4/c1-14(2)31-21-6-3-15(9-17(21)12-26)13-30-18-4-5-20-19(11-18)23(25)24-16(10-22(28)29)7-8-27(20)24/h3-6,9,11,14,16H,7-8,10,13H2,1-2H3,(H,28,29)/t16-/s2
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n/an/a 8.50E+3n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


ACS Med Chem Lett 5: 1334-9 (2014)


Article DOI: 10.1021/ml500422m
BindingDB Entry DOI: 10.7270/Q2XK8H6S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50106206
PNG
(CHEMBL3598099)
Show SMILES C[C@@H](OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1cnc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1/C20H28F3N3O6S/c1-13(20(21,22)23)30-19(27)26-9-7-16(8-10-26)31-14-3-5-15(6-4-14)32-17-11-25-18(12-24-17)33(2,28)29/h11-16H,3-10H2,1-2H3/t13-,14-,15-/s2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 25: 3034-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.102
BindingDB Entry DOI: 10.7270/Q2SB47JS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50041691
PNG
(CHEMBL3358920)
Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/s2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]astemizole from human ERG


ACS Med Chem Lett 5: 1313-7 (2014)


Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50041691
PNG
(CHEMBL3358920)
Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/s2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


ACS Med Chem Lett 5: 1313-7 (2014)


Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50235370
PNG
(CHEMBL3933704)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1
Show InChI InChI=1/C23H26FNO5/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27/h1-8,13,17-18H,9-12,14-16H2,(H,26,27)/t17-,18-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-Lactamase enzyme derived from Enterobacter cloacae P99


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair
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