Found 203 hits with Last Name = 'oskins' and Initial = 'j' 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 |
|---|
Retinoic acid receptor RXR-alpha/alpha
(Homo sapiens (Human)) | BDBM50178953
(CHEMBL3815166)Show SMILES CC(C)(C)c1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C27H26N2O4S/c1-27(2,3)21-7-5-6-20(16-21)25-17-24(18-8-10-19(11-9-18)26(30)31)28-29(25)22-12-14-23(15-13-22)34(4,32)33/h5-17H,1-4H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay |
Bioorg Med Chem Lett 26: 3274-3277 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Retinoic acid receptor RXR-alpha/alpha
(Homo sapiens (Human)) | BDBM50178952
(CHEMBL3814574)Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C31H32N2O4S/c1-30(2)16-17-31(3,4)26-18-22(10-15-25(26)30)28-19-27(20-6-8-21(9-7-20)29(34)35)32-33(28)23-11-13-24(14-12-23)38(5,36)37/h6-15,18-19H,16-17H2,1-5H3,(H,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay |
Bioorg Med Chem Lett 26: 3274-3277 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50494512
(CHEMBL3092906)Show SMILES Cl.CCN1CCN(CC1)c1nc(C)nc2[nH]c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C18H21ClN6/c1-3-24-8-10-25(11-9-24)18-15-17(20-12(2)21-18)23-16(22-15)13-6-4-5-7-14(13)19/h4-7H,3,8-11H2,1-2H3,(H,20,21,22,23) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50494515
(CHEMBL3092893)Show SMILES Cl.COCCn1c(nc2c(nc(C)nc12)N1CCN2C(CCC2=O)C1)-c1ccccc1Cl Show InChI InChI=1S/C22H25ClN6O2.ClH/c1-14-24-21(27-9-10-28-15(13-27)7-8-18(28)30)19-22(25-14)29(11-12-31-2)20(26-19)16-5-3-4-6-17(16)23;/h3-6,15H,7-13H2,1-2H3;1H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/alpha
(Homo sapiens (Human)) | BDBM50178954
(CHEMBL3813779)Show SMILES Cc1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C28H28N2O4S/c1-18-14-21(16-22(15-18)28(2,3)4)26-17-25(19-6-8-20(9-7-19)27(31)32)29-30(26)23-10-12-24(13-11-23)35(5,33)34/h6-17H,1-5H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay |
Bioorg Med Chem Lett 26: 3274-3277 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/alpha
(Homo sapiens (Human)) | BDBM50178961
(CHEMBL2385268)Show SMILES CC1(C)CC=C(c2ccccc2)c2cc(\C=C\c3ccc(cc3)C(O)=O)ccc12 |t:4| Show InChI InChI=1S/C27H24O2/c1-27(2)17-16-23(21-6-4-3-5-7-21)24-18-20(12-15-25(24)27)9-8-19-10-13-22(14-11-19)26(28)29/h3-16,18H,17H2,1-2H3,(H,28,29)/b9-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay |
Bioorg Med Chem Lett 26: 3274-3277 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50387887
(CHEMBL2057798)Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(C)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C19H23ClN6/c1-4-25-9-11-26(12-10-25)19-16-18(21-13(2)22-19)24(3)17(23-16)14-7-5-6-8-15(14)20/h5-8H,4,9-12H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50387887
(CHEMBL2057798)Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(C)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C19H23ClN6/c1-4-25-9-11-26(12-10-25)19-16-18(21-13(2)22-19)24(3)17(23-16)14-7-5-6-8-15(14)20/h5-8H,4,9-12H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50494505
(CHEMBL3092891)Show SMILES Cl.COCCn1c(nc2c(nc(C)nc12)N1CCN(CCF)CC1)-c1ccccc1Cl Show InChI InChI=1S/C21H26ClFN6O/c1-15-24-20(28-11-9-27(8-7-23)10-12-28)18-21(25-15)29(13-14-30-2)19(26-18)16-5-3-4-6-17(16)22/h3-6H,7-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50039497
(CHEMBL3139138)Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(CCOC)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C21H27ClN6O/c1-4-26-9-11-27(12-10-26)20-18-21(24-15(2)23-20)28(13-14-29-3)19(25-18)16-7-5-6-8-17(16)22/h5-8H,4,9-14H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50039497
(CHEMBL3139138)Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(CCOC)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C21H27ClN6O/c1-4-26-9-11-27(12-10-26)20-18-21(24-15(2)23-20)28(13-14-29-3)19(25-18)16-7-5-6-8-17(16)22/h5-8H,4,9-14H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50387882
(CHEMBL2057800)Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CC3)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C20H23ClN6/c1-13-22-19(26-11-9-25(2)10-12-26)17-20(23-13)27(14-7-8-14)18(24-17)15-5-3-4-6-16(15)21/h3-6,14H,7-12H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50494505
(CHEMBL3092891)Show SMILES Cl.COCCn1c(nc2c(nc(C)nc12)N1CCN(CCF)CC1)-c1ccccc1Cl Show InChI InChI=1S/C21H26ClFN6O/c1-15-24-20(28-11-9-27(8-7-23)10-12-28)18-21(25-15)29(13-14-30-2)19(26-18)16-5-3-4-6-17(16)22/h3-6H,7-14H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50494512
(CHEMBL3092906)Show SMILES Cl.CCN1CCN(CC1)c1nc(C)nc2[nH]c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C18H21ClN6/c1-3-24-8-10-25(11-9-24)18-15-17(20-12(2)21-18)23-16(22-15)13-6-4-5-7-14(13)19/h4-7H,3,8-11H2,1-2H3,(H,20,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50387882
(CHEMBL2057800)Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CC3)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C20H23ClN6/c1-13-22-19(26-11-9-25(2)10-12-26)17-20(23-13)27(14-7-8-14)18(24-17)15-5-3-4-6-16(15)21/h3-6,14H,7-12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50387884
(CHEMBL2057803)Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@@H]3CCOC3)c(nc12)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50494514
(CHEMBL3092892)Show SMILES Cl.COCCn1c(nc2c(nc(C)nc12)N1CCN(CC1)C(C)=O)-c1ccccc1Cl Show InChI InChI=1S/C21H25ClN6O2/c1-14-23-20(27-10-8-26(9-11-27)15(2)29)18-21(24-14)28(12-13-30-3)19(25-18)16-6-4-5-7-17(16)22/h4-7H,8-13H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50494510
(CHEMBL3092887)Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1C1CC1 Show InChI InChI=1S/C25H32N6O/c1-17-26-24(30-13-11-29(2)12-14-30)22-25(27-17)31(19-9-15-32-16-10-19)23(28-22)21-6-4-3-5-20(21)18-7-8-18/h3-6,18-19H,7-16H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50494513
(CHEMBL3092900)Show SMILES Cl.CCN1CCN(CC1)c1nc(C)nc2n(CC3CCOCC3)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C24H31ClN6O/c1-3-29-10-12-30(13-11-29)23-21-24(27-17(2)26-23)31(16-18-8-14-32-15-9-18)22(28-21)19-6-4-5-7-20(19)25/h4-7,18H,3,8-16H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50387884
(CHEMBL2057803)Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@@H]3CCOC3)c(nc12)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50494504
(CHEMBL3092889)Show SMILES Cl.CCc1ccccc1-c1nc2c(nc(C)nc2n1C1CCOCC1)N1CCN(C)CC1 Show InChI InChI=1S/C24H32N6O/c1-4-18-7-5-6-8-20(18)22-27-21-23(29-13-11-28(3)12-14-29)25-17(2)26-24(21)30(22)19-9-15-31-16-10-19/h5-8,19H,4,9-16H2,1-3H3 | PDB
Reactome pathway
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50006250
(CHEMBL3139186)Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3 | PDB
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50494520
(CHEMBL3092896)Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(CCS(C)(=O)=O)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C20H25ClN6O2S/c1-14-22-19(26-10-8-25(2)9-11-26)17-20(23-14)27(12-13-30(3,28)29)18(24-17)15-6-4-5-7-16(15)21/h4-7H,8-13H2,1-3H3 | PDB
Reactome pathway
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50494511
(CHEMBL3092903)Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C23H27F3N6O/c1-15-27-21(31-11-9-30(2)10-12-31)19-22(28-15)32(16-7-13-33-14-8-16)20(29-19)17-5-3-4-6-18(17)23(24,25)26/h3-6,16H,7-14H2,1-2H3 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50006250
(CHEMBL3139186)Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3 | PDB
Reactome pathway
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50494514
(CHEMBL3092892)Show SMILES Cl.COCCn1c(nc2c(nc(C)nc12)N1CCN(CC1)C(C)=O)-c1ccccc1Cl Show InChI InChI=1S/C21H25ClN6O2/c1-14-23-20(27-10-8-26(9-11-27)15(2)29)18-21(24-14)28(12-13-30-3)19(25-18)16-6-4-5-7-17(16)22/h4-7H,8-13H2,1-3H3 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50494515
(CHEMBL3092893)Show SMILES Cl.COCCn1c(nc2c(nc(C)nc12)N1CCN2C(CCC2=O)C1)-c1ccccc1Cl Show InChI InChI=1S/C22H25ClN6O2.ClH/c1-14-24-21(27-9-10-28-15(13-27)7-8-18(28)30)19-22(25-14)29(11-12-31-2)20(26-19)16-5-3-4-6-17(16)23;/h3-6,15H,7-13H2,1-2H3;1H | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50387885
(CHEMBL2057804)Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@H]3CCOC3)c(nc12)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m0/s1 | PDB
Reactome pathway
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50387883
(CHEMBL2057801)Show SMILES CN1CCN(CC1)c1nc(C)nc2n(CCO)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C19H23ClN6O/c1-13-21-18(25-9-7-24(2)8-10-25)16-19(22-13)26(11-12-27)17(23-16)14-5-3-4-6-15(14)20/h3-6,27H,7-12H2,1-2H3 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50494513
(CHEMBL3092900)Show SMILES Cl.CCN1CCN(CC1)c1nc(C)nc2n(CC3CCOCC3)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C24H31ClN6O/c1-3-29-10-12-30(13-11-29)23-21-24(27-17(2)26-23)31(16-18-8-14-32-15-9-18)22(28-21)19-6-4-5-7-20(19)25/h4-7,18H,3,8-16H2,1-2H3 | PDB
Reactome pathway
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50494510
(CHEMBL3092887)Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1C1CC1 Show InChI InChI=1S/C25H32N6O/c1-17-26-24(30-13-11-29(2)12-14-30)22-25(27-17)31(19-9-15-32-16-10-19)23(28-22)21-6-4-3-5-20(21)18-7-8-18/h3-6,18-19H,7-16H2,1-2H3 | PDB
Reactome pathway
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| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM142234
(US8933098, 1 | US8933099, 1)Show SMILES Cc1ccc(nc1C(=O)Nc1c(C)cc(cc1C)C(O)=O)N1CCC(O)CC1 Show InChI InChI=1S/C21H25N3O4/c1-12-4-5-17(24-8-6-16(25)7-9-24)22-19(12)20(26)23-18-13(2)10-15(21(27)28)11-14(18)3/h4-5,10-11,16,25H,6-9H2,1-3H3,(H,23,26)(H,27,28) | PDB
Reactome pathway
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| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human EP4 |
Bioorg Med Chem Lett 26: 2303-7 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.041
BindingDB Entry DOI: 10.7270/Q22F7QBJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50494504
(CHEMBL3092889)Show SMILES Cl.CCc1ccccc1-c1nc2c(nc(C)nc2n1C1CCOCC1)N1CCN(C)CC1 Show InChI InChI=1S/C24H32N6O/c1-4-18-7-5-6-8-20(18)22-27-21-23(29-13-11-28(3)12-14-29)25-17(2)26-24(21)30(22)19-9-15-31-16-10-19/h5-8,19H,4,9-16H2,1-3H3 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50494511
(CHEMBL3092903)Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C23H27F3N6O/c1-15-27-21(31-11-9-30(2)10-12-31)19-22(28-15)32(16-7-13-33-14-8-16)20(29-19)17-5-3-4-6-18(17)23(24,25)26/h3-6,16H,7-14H2,1-2H3 | PDB
Reactome pathway
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50387885
(CHEMBL2057804)Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@H]3CCOC3)c(nc12)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m0/s1 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50494509
(CHEMBL3092888)Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1C Show InChI InChI=1S/C23H30N6O/c1-16-6-4-5-7-19(16)21-26-20-22(28-12-10-27(3)11-13-28)24-17(2)25-23(20)29(21)18-8-14-30-15-9-18/h4-7,18H,8-15H2,1-3H3 | PDB
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| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/alpha
(Homo sapiens (Human)) | BDBM50178955
(CHEMBL3813965)Show SMILES CC(C)c1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C30H32N2O4S/c1-19(2)22-15-23(17-24(16-22)30(3,4)5)28-18-27(20-7-9-21(10-8-20)29(33)34)31-32(28)25-11-13-26(14-12-25)37(6,35)36/h7-19H,1-6H3,(H,33,34) | PDB
MMDB
Reactome pathway
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| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay |
Bioorg Med Chem Lett 26: 3274-3277 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50494520
(CHEMBL3092896)Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(CCS(C)(=O)=O)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C20H25ClN6O2S/c1-14-22-19(26-10-8-25(2)9-11-26)17-20(23-14)27(12-13-30(3,28)29)18(24-17)15-6-4-5-7-16(15)21/h4-7H,8-13H2,1-3H3 | PDB
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| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50494509
(CHEMBL3092888)Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1C Show InChI InChI=1S/C23H30N6O/c1-16-6-4-5-7-19(16)21-26-20-22(28-12-10-27(3)11-13-28)24-17(2)25-23(20)29(21)18-8-14-30-15-9-18/h4-7,18H,8-15H2,1-3H3 | PDB
Reactome pathway
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| 104 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50387886
(CHEMBL2057805)Show SMILES CN1CCN(CC1)c1nc(C)nc2n(CCN3CCCC3=O)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C23H28ClN7O/c1-16-25-22(30-12-10-28(2)11-13-30)20-23(26-16)31(15-14-29-9-5-8-19(29)32)21(27-20)17-6-3-4-7-18(17)24/h3-4,6-7H,5,8-15H2,1-2H3 | PDB
Reactome pathway
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PubMed
| 459 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50387886
(CHEMBL2057805)Show SMILES CN1CCN(CC1)c1nc(C)nc2n(CCN3CCCC3=O)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C23H28ClN7O/c1-16-25-22(30-12-10-28(2)11-13-30)20-23(26-16)31(15-14-29-9-5-8-19(29)32)21(27-20)17-6-3-4-7-18(17)24/h3-4,6-7H,5,8-15H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 459 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/alpha
(Homo sapiens (Human)) | BDBM50178956
(CHEMBL3813807)Show SMILES CC(C)(C)c1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C31H34N2O4S/c1-30(2,3)23-16-22(17-24(18-23)31(4,5)6)28-19-27(20-8-10-21(11-9-20)29(34)35)32-33(28)25-12-14-26(15-13-25)38(7,36)37/h8-19H,1-7H3,(H,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 461 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay |
Bioorg Med Chem Lett 26: 3274-3277 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/alpha
(Homo sapiens (Human)) | BDBM50178957
(CHEMBL3814015)Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cc(cc(c1)C(C)(C)C)C(C)(C)C)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C32H37N3O4S/c1-31(2,3)24-17-23(18-25(19-24)32(4,5)6)29-20-28(21-9-11-22(12-10-21)30(36)37)33-35(29)26-13-15-27(16-14-26)40(38,39)34(7)8/h9-20H,1-8H3,(H,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay |
Bioorg Med Chem Lett 26: 3274-3277 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/alpha
(Homo sapiens (Human)) | BDBM50178958
(CHEMBL3813975)Show SMILES CC(C)(C)c1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)C(N)=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C31H33N3O3/c1-30(2,3)23-15-22(16-24(17-23)31(4,5)6)27-18-26(19-7-9-21(10-8-19)29(36)37)33-34(27)25-13-11-20(12-14-25)28(32)35/h7-18H,1-6H3,(H2,32,35)(H,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay |
Bioorg Med Chem Lett 26: 3274-3277 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/alpha
(Homo sapiens (Human)) | BDBM50178959
(CHEMBL3814385)Show SMILES CN(C)C(=O)c1ccc(cc1)-n1nc(cc1-c1cc(cc(c1)C(C)(C)C)C(C)(C)C)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C33H37N3O3/c1-32(2,3)25-17-24(18-26(19-25)33(4,5)6)29-20-28(21-9-11-23(12-10-21)31(38)39)34-36(29)27-15-13-22(14-16-27)30(37)35(7)8/h9-20H,1-8H3,(H,38,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay |
Bioorg Med Chem Lett 26: 3274-3277 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/alpha
(Homo sapiens (Human)) | BDBM50178960
(CHEMBL3813702)Show SMILES CC(C)(C)c1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)C(=O)N1CCOCC1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C35H39N3O4/c1-34(2,3)27-19-26(20-28(21-27)35(4,5)6)31-22-30(23-7-9-25(10-8-23)33(40)41)36-38(31)29-13-11-24(12-14-29)32(39)37-15-17-42-18-16-37/h7-14,19-22H,15-18H2,1-6H3,(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay |
Bioorg Med Chem Lett 26: 3274-3277 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/alpha
(Homo sapiens (Human)) | BDBM50178962
(CHEMBL3814815)Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-n1nc(cc1-c1cc(cc(c1)C(C)(C)C)C(C)(C)C)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C36H42N4O3/c1-35(2,3)28-20-27(21-29(22-28)36(4,5)6)32-23-31(24-8-10-26(11-9-24)34(42)43)37-40(32)30-14-12-25(13-15-30)33(41)39-18-16-38(7)17-19-39/h8-15,20-23H,16-19H2,1-7H3,(H,42,43) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay |
Bioorg Med Chem Lett 26: 3274-3277 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50387887
(CHEMBL2057798)Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(C)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C19H23ClN6/c1-4-25-9-11-26(12-10-25)19-16-18(21-13(2)22-19)24(3)17(23-16)14-7-5-6-8-15(14)20/h5-8H,4,9-12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
J Med Chem 56: 5722-33 (2013)
Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP3 subtype
(Homo sapiens (Human)) | BDBM142234
(US8933098, 1 | US8933099, 1)Show SMILES Cc1ccc(nc1C(=O)Nc1c(C)cc(cc1C)C(O)=O)N1CCC(O)CC1 Show InChI InChI=1S/C21H25N3O4/c1-12-4-5-17(24-8-6-16(25)7-9-24)22-19(12)20(26)23-18-13(2)10-15(21(27)28)11-14(18)3/h4-5,10-11,16,25H,6-9H2,1-3H3,(H,23,26)(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human EP3 |
Bioorg Med Chem Lett 26: 2303-7 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.041
BindingDB Entry DOI: 10.7270/Q22F7QBJ |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP3 subtype
(Homo sapiens (Human)) | BDBM50140255
(CHEMBL3754085)Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1 Show InChI InChI=1S/C23H22N2O4/c1-13-7-9-18(23(28)29)15(3)20(13)25-22(27)21-14(2)8-10-19(24-21)17-6-4-5-16(11-17)12-26/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human EP3 receptor |
Bioorg Med Chem Lett 26: 931-5 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93 |
More data for this
Ligand-Target Pair | |
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