Found 53 hits Enz. Inhib. hit(s) with all data for entry = 50040641 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397643
(CHEMBL2181803)Show SMILES Cc1c(CC(O)=O)c2ccc(F)cn2c1Sc1ccc(cc1F)S(C)(=O)=O Show InChI InChI=1S/C18H15F2NO4S2/c1-10-13(8-17(22)23)15-5-3-11(19)9-21(15)18(10)26-16-6-4-12(7-14(16)20)27(2,24)25/h3-7,9H,8H2,1-2H3,(H,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from CRTH2 expressed in HEK293 cells after 3 hrs by liquid scintillation counting |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397639
(CHEMBL2181751 | US8791272, 2.47)Show SMILES CCc1c(CC(O)=O)c(nn1Cc1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1)C1CC1 Show InChI InChI=1S/C25H24F3N3O3/c1-2-21-20(13-22(32)33)23(16-5-6-16)30-31(21)14-15-3-11-19(12-4-15)29-24(34)17-7-9-18(10-8-17)25(26,27)28/h3-4,7-12,16H,2,5-6,13-14H2,1H3,(H,29,34)(H,32,33) | PDB
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PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50161745
(CHEMBL179036 | {3-[((R)-4-Fluoro-benzenesulfonyl)-...)Show SMILES CN([C@@H]1CCc2c(C1)c1ccccc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1 | PDB
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| PDB
Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397660
(CHEMBL2181750 | US8791272, 13.7)Show SMILES CCc1nn(Cc2ccc(OCc3ccc(Cl)c(c3)C(F)(F)F)cc2)c(CC)c1CC(O)=O Show InChI InChI=1S/C24H24ClF3N2O3/c1-3-21-18(12-23(31)32)22(4-2)30(29-21)13-15-5-8-17(9-6-15)33-14-16-7-10-20(25)19(11-16)24(26,27)28/h5-11H,3-4,12-14H2,1-2H3,(H,31,32) | PDB
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| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397658
(CHEMBL2181746)Show SMILES CCc1nc2c(F)ccc(OCC(O)=O)c2c(OC(F)F)c1Cc1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C24H20F3N3O4/c1-2-18-16(12-14-4-6-15(7-5-14)30-11-3-10-28-30)23(34-24(26)27)21-19(33-13-20(31)32)9-8-17(25)22(21)29-18/h3-11,24H,2,12-13H2,1H3,(H,31,32) | PDB
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| Article
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| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in K562 cells after 60 mins by scintillation counting |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397649
(CHEMBL2181805)Show InChI InChI=1S/C19H15FN2O2S/c1-11-13(9-18-21-15-4-2-3-5-17(15)25-18)14-8-12(20)6-7-16(14)22(11)10-19(23)24/h2-8H,9-10H2,1H3,(H,23,24) | PDB
Reactome pathway
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Antagonistic activity at CRTH2 in human eosinophils assessed as inhibition of PGD2-induced calcium mobilization after 60 mins by Fluo-3 based fluores... |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397646
(CHEMBL2181804 | US8536158, A)Show SMILES Cc1c(Cc2ccc(cc2)S(C)(=O)=O)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C19H18FNO4S/c1-12-16(9-13-3-6-15(7-4-13)26(2,24)25)17-10-14(20)5-8-18(17)21(12)11-19(22)23/h3-8,10H,9,11H2,1-2H3,(H,22,23) | PDB
Reactome pathway
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from CRTH2 expressed in CHO cells after 1 hr by beta counting analysis |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397648
(CHEMBL2181806)Show InChI InChI=1S/C22H18FNO2/c1-14-19(12-22(25)26)20-11-18(23)8-9-21(20)24(14)13-15-6-7-16-4-2-3-5-17(16)10-15/h2-11H,12-13H2,1H3,(H,25,26) | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Antagonistic activity at CRTH2 in human eosinophils assessed as inhibition of PGD2-induced calcium mobilization after 60 mins by Fluo-3 based fluores... |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50296977
(2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...)Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26) | PDB
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PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Antagonistic activity at CRTH2 in human eosinophils assessed as inhibition of PGD2-induced calcium mobilization after 60 mins by Fluo-3 based fluores... |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397641
(CHEMBL2181754)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)C1CC1 Show InChI InChI=1S/C23H24F3NO4/c1-3-27(22(30)15-5-6-15)13-16-12-17(23(24,25)26)7-8-18(16)19-10-14(11-21(28)29)4-9-20(19)31-2/h4,7-10,12,15H,3,5-6,11,13H2,1-2H3,(H,28,29) | PDB
Reactome pathway
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| Article
PubMed
| 13.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397647
(CHEMBL2181807)Show InChI InChI=1S/C22H18FNO2/c1-14-19(11-15-6-7-16-4-2-3-5-17(16)10-15)20-12-18(23)8-9-21(20)24(14)13-22(25)26/h2-10,12H,11,13H2,1H3,(H,25,26) | PDB
Reactome pathway
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PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Antagonistic activity at CRTH2 in human eosinophils assessed as inhibition of PGD2-induced calcium mobilization after 60 mins by Fluo-3 based fluores... |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397659
(CHEMBL2181749)Show InChI InChI=1S/C20H18O4/c1-12-8-15(11-18(21)22)19-13(2)16(20(23)24-17(19)9-12)10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,21,22) | PDB
Reactome pathway
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PC sid
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| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in K562 cells after 60 mins by scintillation counting |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397650
(CHEMBL2181808)Show InChI InChI=1S/C19H15FN2O2S/c1-11-13(9-19(23)24)14-8-12(20)6-7-16(14)22(11)10-18-21-15-4-2-3-5-17(15)25-18/h2-8H,9-10H2,1H3,(H,23,24) | PDB
Reactome pathway
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PC sid
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| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Antagonistic activity at CRTH2 in human eosinophils assessed as inhibition of PGD2-induced calcium mobilization after 60 mins by Fluo-3 based fluores... |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357148
(CHEMBL1917462)Show InChI InChI=1S/C16H12Cl2N2O2S/c1-9-15(23-11-4-2-10(17)3-5-11)14-12(6-7-19-16(14)18)20(9)8-13(21)22/h2-7H,8H2,1H3,(H,21,22) | PDB
Reactome pathway
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| Article
PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50174351
(CHEMBL196707 | [5-Fluoro-1-(4-methanesulfonyl-benz...)Show SMILES Cc1c(CC(O)=O)c2cc(F)ccc2n1S(=O)(=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H16FNO6S2/c1-11-15(10-18(21)22)16-9-12(19)3-8-17(16)20(11)28(25,26)14-6-4-13(5-7-14)27(2,23)24/h3-9H,10H2,1-2H3,(H,21,22) | PDB
Reactome pathway
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PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Antagonistic activity at CRTH2 in human eosinophils assessed as inhibition of PGD2-induced calcium mobilization after 60 mins by Fluo-3 based fluores... |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397644
(CHEMBL2181743)Show InChI InChI=1S/C16H12Cl2N2O2S/c1-9-16(23-11-4-2-10(17)3-5-11)12-6-14(18)19-7-13(12)20(9)8-15(21)22/h2-7H,8H2,1H3,(H,21,22) | PDB
Reactome pathway
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PC sid
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| Article
PubMed
| 106 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397645
(CHEMBL2181744)Show InChI InChI=1S/C16H13ClN2O2S/c1-10-16(22-12-6-4-11(17)5-7-12)15-13(3-2-8-18-15)19(10)9-14(20)21/h2-8H,9H2,1H3,(H,20,21) | PDB
Reactome pathway
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PubMed
| 143 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from CRTH2 expressed in CHO cells after 1 hr by beta counting analysis |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50397645
(CHEMBL2181744)Show InChI InChI=1S/C16H13ClN2O2S/c1-10-16(22-12-6-4-11(17)5-7-12)15-13(3-2-8-18-15)19(10)9-14(20)21/h2-8H,9H2,1H3,(H,20,21) | PDB
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PubMed
| 143 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of SERT |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397656
(CHEMBL2181745 | US8796280, 17)Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(F)cc1 Show InChI InChI=1S/C25H20F4N4O2S/c1-33(20-12-10-19(26)11-13-20)16-17-6-8-18(9-7-17)23-24(31-15-14-30-23)32-36(34,35)22-5-3-2-4-21(22)25(27,28)29/h2-15H,16H2,1H3,(H,31,32) | PDB
Reactome pathway
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PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50161745
(CHEMBL179036 | {3-[((R)-4-Fluoro-benzenesulfonyl)-...)Show SMILES CN([C@@H]1CCc2c(C1)c1ccccc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1 | PDB
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of TP receptor |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397638
(CHEMBL2181748)Show SMILES Cc1c(CC(O)=O)cc2ccc(F)cc2c1Oc1ncc(cc1Br)S(C)(=O)=O Show InChI InChI=1S/C19H15BrFNO5S/c1-10-12(6-17(23)24)5-11-3-4-13(21)7-15(11)18(10)27-19-16(20)8-14(9-22-19)28(2,25)26/h3-5,7-9H,6H2,1-2H3,(H,23,24) | PDB
Reactome pathway
KEGG
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| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50312289
(4-(((2S,4R)-1-benzoyl-2-methyl-1,2,3,4-tetrahydroq...)Show SMILES C[C@H]1C[C@@H](N(C(=O)CCC(O)=O)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H26N2O4/c1-19-18-24(29(21-12-6-3-7-13-21)25(30)16-17-26(31)32)22-14-8-9-15-23(22)28(19)27(33)20-10-4-2-5-11-20/h2-15,19,24H,16-18H2,1H3,(H,31,32)/t19-,24+/m0/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 in human whole blood |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397653
(CHEMBL2181810)Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(ccc12)C(F)(F)F)C(=O)c1ccccc1 Show InChI InChI=1S/C21H17F3N2O3/c22-21(23,24)14-6-7-17-15(10-14)16-11-25(20(29)13-4-2-1-3-5-13)9-8-18(16)26(17)12-19(27)28/h1-7,10H,8-9,11-12H2,(H,27,28) | PDB
Reactome pathway
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in HEK293 cells after 90 mins by TopCount analysis |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397651
(CHEMBL2181811)Show SMILES CN(C(=O)C1(C)CCc2c(C1)c1ccccc1n2CC(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H23ClN2O3/c1-23(22(29)25(2)16-7-5-6-15(24)12-16)11-10-20-18(13-23)17-8-3-4-9-19(17)26(20)14-21(27)28/h3-9,12H,10-11,13-14H2,1-2H3,(H,27,28) | PDB
Reactome pathway
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in HEK293 cells after 90 mins by TopCount analysis |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397652
(CHEMBL2181809)Show SMILES OC(=O)Cn1c2CC[C@H](Cc2c2cc(F)ccc12)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H27FN2O3/c30-21-11-13-26-24(15-21)25-16-22(12-14-27(25)32(26)18-29(34)35)31-28(33)17-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-11,13,15,22-23H,12,14,16-18H2,(H,31,33)(H,34,35)/t22-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in HEK293 cells after 90 mins by TopCount analysis |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50296980
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-21(25)26)17-4-2-3-5-19(17)24(20)13-15/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 in human whole blood |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397640
(CHEMBL2181753)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)NCc1ccccc1 Show InChI InChI=1S/C27H27F3N2O4/c1-3-32(26(35)31-16-18-7-5-4-6-8-18)17-20-15-21(27(28,29)30)10-11-22(20)23-13-19(14-25(33)34)9-12-24(23)36-2/h4-13,15H,3,14,16-17H2,1-2H3,(H,31,35)(H,33,34) | PDB
Reactome pathway
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| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 in human whole blood |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50296980
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-21(25)26)17-4-2-3-5-19(17)24(20)13-15/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in HEK293 cells after 60 mins by liquid scintillation counting |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50312289
(4-(((2S,4R)-1-benzoyl-2-methyl-1,2,3,4-tetrahydroq...)Show SMILES C[C@H]1C[C@@H](N(C(=O)CCC(O)=O)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H26N2O4/c1-19-18-24(29(21-12-6-3-7-13-21)25(30)16-17-26(31)32)22-14-8-9-15-23(22)28(19)27(33)20-10-4-2-5-11-20/h2-15,19,24H,16-18H2,1H3,(H,31,32)/t19-,24+/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50161745
(CHEMBL179036 | {3-[((R)-4-Fluoro-benzenesulfonyl)-...)Show SMILES CN([C@@H]1CCc2c(C1)c1ccccc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1 | PDB
Reactome pathway
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Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397642
(CHEMBL2181755)Show SMILES C[C@H](Oc1ccc(F)cc1-c1ccc(C(=O)N2CCCC2(C)C)c(Cl)c1)C(O)=O |r| Show InChI InChI=1S/C22H23ClFNO4/c1-13(21(27)28)29-19-8-6-15(24)12-17(19)14-5-7-16(18(23)11-14)20(26)25-10-4-9-22(25,2)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,27,28)/t13-/m0/s1 | PDB
Reactome pathway
KEGG
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| Article
PubMed
| n/a | n/a | 3.98 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from recombinant human CRTH2 expressed in HEK293 cells after 2 hrs by microbetascintillation counting |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357102
(CHEMBL1914489)Show SMILES CC(=O)Nc1cccc2n(CC(O)=O)c(C)c(Sc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25) | PDB
Reactome pathway
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| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from recombinant human CRTH2 expressed in HEK293 cells after 2 hrs by microbetascintillation counting |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397640
(CHEMBL2181753)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)NCc1ccccc1 Show InChI InChI=1S/C27H27F3N2O4/c1-3-32(26(35)31-16-18-7-5-4-6-8-18)17-20-15-21(27(28,29)30)10-11-22(20)23-13-19(14-25(33)34)9-12-24(23)36-2/h4-13,15H,3,14,16-17H2,1-2H3,(H,31,35)(H,33,34) | PDB
Reactome pathway
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| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397641
(CHEMBL2181754)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)C1CC1 Show InChI InChI=1S/C23H24F3NO4/c1-3-27(22(30)15-5-6-15)13-16-12-17(23(24,25)26)7-8-18(16)19-10-14(11-21(28)29)4-9-20(19)31-2/h4,7-10,12,15H,3,5-6,11,13H2,1-2H3,(H,28,29) | PDB
Reactome pathway
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| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 in human whole blood |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397646
(CHEMBL2181804 | US8536158, A)Show SMILES Cc1c(Cc2ccc(cc2)S(C)(=O)=O)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C19H18FNO4S/c1-12-16(9-13-3-6-15(7-4-13)26(2,24)25)17-10-14(20)5-8-18(17)21(12)11-19(22)23/h3-8,10H,9,11H2,1-2H3,(H,22,23) | PDB
Reactome pathway
KEGG
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 in human whole blood |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397654
(CHEMBL2181813)Show SMILES CN(c1ccc2n(CC(O)=O)c3ccccc3c2c1)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H17FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-12H,13H2,1H3,(H,25,26) | PDB
Reactome pathway
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50296977
(2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...)Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26) | PDB
Reactome pathway
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTH2 expressed in Th2 cells assessed as inhibition of PGD2-induced IL13 production |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397657
(CHEMBL2181747)Show SMILES OC(=O)[C@@H]1CCOc2cc(Oc3ccc(cc3)C(=O)Nc3cccc(n3)-c3ccc(Cl)cc3)c(Cl)cc12 |r| Show InChI InChI=1S/C28H20Cl2N2O5/c29-18-8-4-16(5-9-18)23-2-1-3-26(31-23)32-27(33)17-6-10-19(11-7-17)37-25-15-24-21(14-22(25)30)20(28(34)35)12-13-36-24/h1-11,14-15,20H,12-13H2,(H,34,35)(H,31,32,33)/t20-/m1/s1 | PDB
Reactome pathway
KEGG
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 expressed in K562 cells after 60 mins by scintillation counting in presence of 4% human serum albumin |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50296977
(2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...)Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26) | PDB
Reactome pathway
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTH2 expressed in Th2 cells assessed as inhibition of PGD2-induced chemotaxis |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397655
(CHEMBL2181812)Show SMILES CN(CCc1c(C)n(CC(O)=O)c2ccccc12)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C20H21FN2O4S/c1-14-17(18-5-3-4-6-19(18)23(14)13-20(24)25)11-12-22(2)28(26,27)16-9-7-15(21)8-10-16/h3-10H,11-13H2,1-2H3,(H,24,25) | PDB
Reactome pathway
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Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50296977
(2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...)Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26) | PDB
Reactome pathway
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Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTH2 expressed in Th2 cells assessed as inhibition of PGD2-induced antiapoptotic activity |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397642
(CHEMBL2181755)Show SMILES C[C@H](Oc1ccc(F)cc1-c1ccc(C(=O)N2CCCC2(C)C)c(Cl)c1)C(O)=O |r| Show InChI InChI=1S/C22H23ClFNO4/c1-13(21(27)28)29-19-8-6-15(24)12-17(19)14-5-7-16(18(23)11-14)20(26)25-10-4-9-22(25,2)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,27,28)/t13-/m0/s1 | PDB
Reactome pathway
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Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTH2 in human eosinophils assessed as inhibition of PGD2-induced shape change by gated autofluorescence forward scatter analy... |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50296977
(2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...)Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26) | PDB
Reactome pathway
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Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 in human whole blood |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50174351
(CHEMBL196707 | [5-Fluoro-1-(4-methanesulfonyl-benz...)Show SMILES Cc1c(CC(O)=O)c2cc(F)ccc2n1S(=O)(=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H16FNO6S2/c1-11-15(10-18(21)22)16-9-12(19)3-8-17(16)20(11)28(25,26)14-6-4-13(5-7-14)27(2,23)24/h3-9H,10H2,1-2H3,(H,21,22) | PDB
Reactome pathway
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Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 in human whole blood |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50188301
(2-(2,5-dimethyl-3-(8-methylquinolin-4-yl)-1H-indol...)Show SMILES Cc1c(-c2ccnc3c(C)cccc23)c2cc(C)ccc2n1CC(O)=O |(-2.12,-2.68,;-3.66,-2.69,;-4.56,-3.95,;-4.08,-5.41,;-2.58,-5.71,;-2.09,-7.17,;-3.11,-8.33,;-4.62,-8.02,;-5.63,-9.15,;-5.14,-10.61,;-7.13,-8.85,;-7.62,-7.39,;-6.6,-6.25,;-5.1,-6.56,;-6.04,-3.48,;-7.38,-4.24,;-8.72,-3.47,;-10.05,-4.24,;-8.71,-1.93,;-7.38,-1.16,;-6.05,-1.92,;-4.57,-1.44,;-4.1,.03,;-2.6,.35,;-1.56,-.78,;-2.12,1.82,)| Show InChI InChI=1S/C22H20N2O2/c1-13-7-8-19-18(11-13)21(15(3)24(19)12-20(25)26)16-9-10-23-22-14(2)5-4-6-17(16)22/h4-11H,12H2,1-3H3,(H,25,26) | PDB
MMDB
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Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of rat aldose reductase |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397649
(CHEMBL2181805)Show InChI InChI=1S/C19H15FN2O2S/c1-11-13(9-18-21-15-4-2-3-5-17(15)25-18)14-8-12(20)6-7-16(14)22(11)10-19(23)24/h2-8H,9-10H2,1H3,(H,23,24) | PDB
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| n/a | n/a | 343 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 in human whole blood |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50296977
(2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...)Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26) | PDB
MMDB
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| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of rat aldose reductase |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50296978
(2-(4,6-bis(dimethylamino)-2-(4-(4-(trifluoromethyl...)Show SMILES CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)nc(N(C)C)c1CC(O)=O Show InChI InChI=1S/C25H26F3N5O3/c1-32(2)22-19(14-21(34)35)23(33(3)4)31-20(30-22)13-15-5-11-18(12-6-15)29-24(36)16-7-9-17(10-8-16)25(26,27)28/h5-12H,13-14H2,1-4H3,(H,29,36)(H,34,35) | PDB
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Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTH2 in human eosinophils assessed as inhibition of PGD2-induced shape change by gated autofluorescence forward scatter analy... |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397647
(CHEMBL2181807)Show InChI InChI=1S/C22H18FNO2/c1-14-19(11-15-6-7-16-4-2-3-5-17(16)10-15)20-12-18(23)8-9-21(20)24(14)13-22(25)26/h2-10,12H,11,13H2,1H3,(H,25,26) | PDB
Reactome pathway
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Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CRTH2 in human whole blood |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50188301
(2-(2,5-dimethyl-3-(8-methylquinolin-4-yl)-1H-indol...)Show SMILES Cc1c(-c2ccnc3c(C)cccc23)c2cc(C)ccc2n1CC(O)=O |(-2.12,-2.68,;-3.66,-2.69,;-4.56,-3.95,;-4.08,-5.41,;-2.58,-5.71,;-2.09,-7.17,;-3.11,-8.33,;-4.62,-8.02,;-5.63,-9.15,;-5.14,-10.61,;-7.13,-8.85,;-7.62,-7.39,;-6.6,-6.25,;-5.1,-6.56,;-6.04,-3.48,;-7.38,-4.24,;-8.72,-3.47,;-10.05,-4.24,;-8.71,-1.93,;-7.38,-1.16,;-6.05,-1.92,;-4.57,-1.44,;-4.1,.03,;-2.6,.35,;-1.56,-.78,;-2.12,1.82,)| Show InChI InChI=1S/C22H20N2O2/c1-13-7-8-19-18(11-13)21(15(3)24(19)12-20(25)26)16-9-10-23-22-14(2)5-4-6-17(16)22/h4-11H,12H2,1-3H3,(H,25,26) | PDB
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of SERT |
J Med Chem 55: 2915-31 (2012)
Article DOI: 10.1021/jm2013997
BindingDB Entry DOI: 10.7270/Q2Z0398R |
More data for this
Ligand-Target Pair | |
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