Found 717 hits with Last Name = 'hollinshead' and Initial = 'sp' 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 |
|---|
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
UniProtKB/TrEMBL
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 | |
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
UniProtKB/TrEMBL
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
UniProtKB/TrEMBL
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
UniProtKB/TrEMBL
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
UniProtKB/TrEMBL
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
UniProtKB/TrEMBL
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)) | BDBM50387877
(CHEMBL2057795)Show InChI InChI=1S/C19H22N4S/c1-3-22-9-11-23(12-10-22)18-16-13-17(15-7-5-4-6-8-15)24-19(16)21-14(2)20-18/h4-8,13H,3,9-12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| 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-55,940 from rat CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 4962-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D |
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
UniProtKB/TrEMBL
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)) | 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
UniProtKB/TrEMBL
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-55,940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 4962-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D |
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
UniProtKB/TrEMBL
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
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24 | 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-55,940 from rat CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 4962-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D |
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
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24 | 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)) | 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
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 32 | 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)) | 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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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to rat CB2 receptor |
Bioorg Med Chem Lett 24: 5572-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.006
BindingDB Entry DOI: 10.7270/Q2R78GVW |
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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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
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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
(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
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 24: 5572-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.006
BindingDB Entry DOI: 10.7270/Q2R78GVW |
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
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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)) | 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
(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
(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)) | 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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| 48 | 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-55,940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 4962-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D |
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
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| 48 | 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)) | 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
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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
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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)) | 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
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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)) | BDBM50387877
(CHEMBL2057795)Show InChI InChI=1S/C19H22N4S/c1-3-22-9-11-23(12-10-22)18-16-13-17(15-7-5-4-6-8-15)24-19(16)21-14(2)20-18/h4-8,13H,3,9-12H2,1-2H3 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 4962-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D |
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-55,940 from rat CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 4962-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D |
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)) | 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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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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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
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 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
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
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 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 | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50429650
(CHEMBL2334981)Show SMILES CC(C)c1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r| Show InChI InChI=1S/C24H25N5OS/c1-13(2)18-6-5-7-20(25-18)21-22(15-8-9-19-16(11-15)12-29(4)27-19)28-31-24(21)26-23(30)17-10-14(17)3/h5-9,11-14,17H,10H2,1-4H3,(H,26,30)/t14-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.16E+3 | 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 5HT2B receptor (unknown origin) |
Bioorg Med Chem Lett 23: 1249-52 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.009
BindingDB Entry DOI: 10.7270/Q2DJ5H0Z |
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
UniProtKB/TrEMBL
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 | |
Protein kinase C eta type
(Homo sapiens (Human)) | BDBM3153
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36)/t17-,21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of protein kinase C eta |
Bioorg Med Chem Lett 6: 973-978 (1996)
Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M |
More data for this
Ligand-Target Pair | |
Protein kinase C eta type
(Homo sapiens (Human)) | BDBM3183
(2-({2,6-dihydroxy-4-[({2-[(4-hydroxybenzene)amido]...)Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1CCCC1NC(=O)c1ccc(O)cc1 Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Sphinx Laboratories
| Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs. |
J Med Chem 39: 5215-27 (1996)
Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM3183
(2-({2,6-dihydroxy-4-[({2-[(4-hydroxybenzene)amido]...)Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1CCCC1NC(=O)c1ccc(O)cc1 Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Sphinx Laboratories
| Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs. |
J Med Chem 39: 5215-27 (1996)
Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM3153
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36)/t17-,21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of protein kinase C delta |
Bioorg Med Chem Lett 6: 973-978 (1996)
Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50379862
(CHEMBL2011870)Show SMILES COc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r| Show InChI InChI=1S/C16H18N2O2S/c1-9-8-13(9)15(19)17-16-10(2)14(18-21-16)11-4-6-12(20-3)7-5-11/h4-7,9,13H,8H2,1-3H3,(H,17,19)/t9-,13-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at rat mGluR1 |
Bioorg Med Chem Lett 22: 2514-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G |
More data for this
Ligand-Target Pair | |
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