Found 835 hits with Last Name = 'bol' and Initial = 'd' 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
(Homo sapiens (Human)) | BDBM50392561
(CHEMBL2152813)Show SMILES CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r| Show InChI InChI=1S/C31H38N2O2S/c1-5-6-10-17-33-20-25(28(35)32-29-30(2,3)21-15-16-31(29,4)19-21)27(34)24-14-13-23(18-26(24)33)36-22-11-8-7-9-12-22/h7-9,11-14,18,20-21,29H,5-6,10,15-17,19H2,1-4H3,(H,32,35)/t21?,29-,31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50392560
(CHEMBL2152812)Show SMILES CCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r| Show InChI InChI=1S/C30H36N2O2S/c1-5-6-16-32-19-24(27(34)31-28-29(2,3)20-14-15-30(28,4)18-20)26(33)23-13-12-22(17-25(23)32)35-21-10-8-7-9-11-21/h7-13,17,19-20,28H,5-6,14-16,18H2,1-4H3,(H,31,34)/t20?,28-,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50392551
(CHEMBL2152803)Show SMILES CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C25H33FN2O2/c1-5-6-7-12-28-15-19(21(29)18-9-8-17(26)13-20(18)28)22(30)27-23-24(2,3)16-10-11-25(23,4)14-16/h8-9,13,15-16,23H,5-7,10-12,14H2,1-4H3,(H,27,30)/t16?,23-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50392559
(CHEMBL2152811)Show SMILES CCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r| Show InChI InChI=1S/C29H34N2O2S/c1-5-15-31-18-23(26(33)30-27-28(2,3)19-13-14-29(27,4)17-19)25(32)22-12-11-21(16-24(22)31)34-20-9-7-6-8-10-20/h6-12,16,18-19,27H,5,13-15,17H2,1-4H3,(H,30,33)/t19?,27-,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50159110
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human histamine H3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50324652
(4-Oxo-1-pentyl-6-pyrrol-1-yl-1,4-dihydro-quinoline...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-n1cccc1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:17:12:15.20.14,16:15:12:17.19.18| Show InChI InChI=1S/C29H35N3O2/c1-2-3-4-11-32-19-25(27(33)24-15-23(7-8-26(24)32)31-9-5-6-10-31)28(34)30-29-16-20-12-21(17-29)14-22(13-20)18-29/h5-10,15,19-22H,2-4,11-14,16-18H2,1H3,(H,30,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells |
J Med Chem 53: 5915-28 (2010)
Article DOI: 10.1021/jm100123x
BindingDB Entry DOI: 10.7270/Q2PC33BG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50324634
(CHEMBL1215942 | N-(Adamantan-1-yl)-6-(furan-2-yl)-...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14| Show InChI InChI=1S/C29H34N2O3/c1-2-3-4-9-31-18-24(27(32)23-14-22(7-8-25(23)31)26-6-5-10-34-26)28(33)30-29-15-19-11-20(16-29)13-21(12-19)17-29/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,30,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells |
J Med Chem 53: 5915-28 (2010)
Article DOI: 10.1021/jm100123x
BindingDB Entry DOI: 10.7270/Q2PC33BG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50392550
(CHEMBL2152802)Show SMILES CCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C24H31FN2O2/c1-5-6-11-27-14-18(20(28)17-8-7-16(25)12-19(17)27)21(29)26-22-23(2,3)15-9-10-24(22,4)13-15/h7-8,12,14-15,22H,5-6,9-11,13H2,1-4H3,(H,26,29)/t15?,22-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50272462
(CHEMBL525528 | N-(Adamant-1-yl)-7-fluoro-4-oxo-1-p...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C25H31FN2O2/c1-2-3-4-7-28-15-21(23(29)20-6-5-19(26)11-22(20)28)24(30)27-25-12-16-8-17(13-25)10-18(9-16)14-25/h5-6,11,15-18H,2-4,7-10,12-14H2,1H3,(H,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50392564
(CHEMBL2152816)Show SMILES COCCn1cc(C(=O)N[C@H]2[C@]3(C)CCC(C3)C2(C)C)c(=O)c2ccc(Sc3ccccc3)cc12 |r| Show InChI InChI=1S/C29H34N2O3S/c1-28(2)19-12-13-29(3,17-19)27(28)30-26(33)23-18-31(14-15-34-4)24-16-21(10-11-22(24)25(23)32)35-20-8-6-5-7-9-20/h5-11,16,18-19,27H,12-15,17H2,1-4H3,(H,30,33)/t19?,27-,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50587293
(CHEMBL5090291)Show SMILES C(COc1ccc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2)cc1)CN1CCCCC1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50392563
(CHEMBL2152815)Show SMILES CN(C)CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r| Show InChI InChI=1S/C30H37N3O2S/c1-29(2)20-13-14-30(3,18-20)28(29)31-27(35)24-19-33(16-15-32(4)5)25-17-22(11-12-23(25)26(24)34)36-21-9-7-6-8-10-21/h6-12,17,19-20,28H,13-16,18H2,1-5H3,(H,31,35)/t20?,28-,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50272486
(CHEMBL498527 | N-(Adamant-1-yl)-4-oxo-1-pentyl-7-(...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C31H36N2O2S/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-11-10-25(16-28(26)33)36-24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50587292
(CHEMBL5082819) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50587298
(CHEMBL5092241)Show SMILES O=C1N\C(=C/c2ccc(OCCCN3CCCCC3)cc2)C(=O)N[C@H]1Cc1ccccc1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50533199
(CHEMBL4527011)Show SMILES [H][C@]12CCN(c3ccc(cc3)-c3ccc(cc3)-n3ncccc3=O)[C@@]1([H])CN(C)C2 |r| Show InChI InChI=1S/C23H24N4O/c1-25-15-19-12-14-26(22(19)16-25)20-8-4-17(5-9-20)18-6-10-21(11-7-18)27-23(28)3-2-13-24-27/h2-11,13,19,22H,12,14-16H2,1H3/t19-,22+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at histamine H3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50324635
(4-Oxo-1-pentyl-6-thiophen-2-yl-1,4-dihydro-quinoli...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1cccs1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14| Show InChI InChI=1S/C29H34N2O2S/c1-2-3-4-9-31-18-24(27(32)23-14-22(7-8-25(23)31)26-6-5-10-34-26)28(33)30-29-15-19-11-20(16-29)13-21(12-19)17-29/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,30,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells |
J Med Chem 53: 5915-28 (2010)
Article DOI: 10.1021/jm100123x
BindingDB Entry DOI: 10.7270/Q2PC33BG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50324663
(6-(furan-2-yl)-4-oxo-1-pentyl-N-((1R,2R,4S)-1,3,3-...)Show SMILES CCCCCn1cc(C(=O)N[C@@H]2[C@]3(C)CC[C@@H](C3)C2(C)C)c(=O)c2cc(ccc12)-c1ccco1 |r| Show InChI InChI=1S/C29H36N2O3/c1-5-6-7-14-31-18-22(26(33)30-27-28(2,3)20-12-13-29(27,4)17-20)25(32)21-16-19(10-11-23(21)31)24-9-8-15-34-24/h8-11,15-16,18,20,27H,5-7,12-14,17H2,1-4H3,(H,30,33)/t20-,27-,29+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells |
J Med Chem 53: 5915-28 (2010)
Article DOI: 10.1021/jm100123x
BindingDB Entry DOI: 10.7270/Q2PC33BG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50392561
(CHEMBL2152813)Show SMILES CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r| Show InChI InChI=1S/C31H38N2O2S/c1-5-6-10-17-33-20-25(28(35)32-29-30(2,3)21-15-16-31(29,4)19-21)27(34)24-14-13-23(18-26(24)33)36-22-11-8-7-9-12-22/h7-9,11-14,18,20-21,29H,5-6,10,15-17,19H2,1-4H3,(H,32,35)/t21?,29-,31-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50392566
(CHEMBL2152818)Show SMILES CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCO)c2cc(Sc3ccccc3)ccc2c1=O |r| Show InChI InChI=1S/C30H36N2O3S/c1-29(2)20-13-14-30(3,18-20)28(29)31-27(35)24-19-32(15-7-8-16-33)25-17-22(11-12-23(25)26(24)34)36-21-9-5-4-6-10-21/h4-6,9-12,17,19-20,28,33H,7-8,13-16,18H2,1-3H3,(H,31,35)/t20?,28-,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50247053
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at histamine H3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50324658
(6-bromo-4-oxo-1-pentyl-N-((1R,2R,4S)-1,3,3-trimeth...)Show SMILES CCCCCn1cc(C(=O)N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2cc(Br)ccc12 |r| Show InChI InChI=1S/C25H33BrN2O2/c1-5-6-7-12-28-15-19(21(29)18-13-17(26)8-9-20(18)28)22(30)27-23-24(2,3)16-10-11-25(23,4)14-16/h8-9,13,15-16,23H,5-7,10-12,14H2,1-4H3,(H,27,30)/t16-,23-,25+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
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 |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells |
J Med Chem 53: 5915-28 (2010)
Article DOI: 10.1021/jm100123x
BindingDB Entry DOI: 10.7270/Q2PC33BG |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50587300
(CHEMBL5093401) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50392549
(CHEMBL2152801)Show SMILES CCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C23H29FN2O2/c1-5-10-26-13-17(19(27)16-7-6-15(24)11-18(16)26)20(28)25-21-22(2,3)14-8-9-23(21,4)12-14/h6-7,11,13-14,21H,5,8-10,12H2,1-4H3,(H,25,28)/t14?,21-,23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
VIP peptides
(Homo sapiens (Human)) | BDBM85078
(CAS_150828-75-4 | Ro 25-1392)Show SMILES CCCCCCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)CC)C(=O)NC(CC(N)=O)C(=O)N1)C(C)CC)C(N)=O |r| Show InChI InChI=1S/C65H111N15O13/c1-9-12-13-14-15-16-20-29-44(55(69)83)72-58(86)47(31-22-25-34-67)75-64(92)53(40(6)10-2)80-63(91)50-38-52(82)70-35-26-23-32-46(74-59(87)45(30-21-24-33-66)73-57(85)42(8)71-56(84)39(4)5)60(88)76-48(36-43-27-18-17-19-28-43)62(90)79-54(41(7)11-3)65(93)78-49(37-51(68)81)61(89)77-50/h17-19,27-28,39-42,44-50,53-54H,9-16,20-26,29-38,66-67H2,1-8H3,(H2,68,81)(H2,69,83)(H,70,82)(H,71,84)(H,72,86)(H,73,85)(H,74,87)(H,75,92)(H,76,88)(H,77,89)(H,78,93)(H,79,90)(H,80,91)/t40?,41?,42-,44-,45-,46-,47-,48-,49?,50-,53-,54-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California, San Francisco
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 281: 629-33 (1997)
BindingDB Entry DOI: 10.7270/Q26T0K51 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50587294
(CHEMBL5092036)Show SMILES CC(=O)N1CC(=O)N\C(=C/c2ccc(OCCCN3CCCCC3)cc2)C1=O | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50587296
(CHEMBL5079959)Show SMILES O=c1[nH]\c(=C/c2ccc(OCCCN3CCCCC3)cc2)c(=O)[nH]\c1=C/c1ccccc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50392551
(CHEMBL2152803)Show SMILES CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C25H33FN2O2/c1-5-6-7-12-28-15-19(21(29)18-9-8-17(26)13-20(18)28)22(30)27-23-24(2,3)16-10-11-25(23,4)14-16/h8-9,13,15-16,23H,5-7,10-12,14H2,1-4H3,(H,27,30)/t16?,23-,25-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50324636
(6-(4-Hydroxy-phenyl)-4-oxo-1-pentyl-1,4-dihydro-qu...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc(O)cc1 |TLB:18:17:20:13.12.14,18:13:20:17.19.16,14:15:19:13.12.18,THB:14:13:19:15.20.16| Show InChI InChI=1S/C31H36N2O3/c1-2-3-4-11-33-19-27(30(36)32-31-16-20-12-21(17-31)14-22(13-20)18-31)29(35)26-15-24(7-10-28(26)33)23-5-8-25(34)9-6-23/h5-10,15,19-22,34H,2-4,11-14,16-18H2,1H3,(H,32,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells |
J Med Chem 53: 5915-28 (2010)
Article DOI: 10.1021/jm100123x
BindingDB Entry DOI: 10.7270/Q2PC33BG |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50587297
(CHEMBL5086337)Show SMILES CC(=O)N1[C@@H](Cc2ccccc2)C(=O)N\C(=C/c2ccc(OCCCN3CCCCC3)cc2)C1=O |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50392558
(CHEMBL2152810)Show SMILES CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r| Show InChI InChI=1S/C28H32N2O2S/c1-5-30-17-22(25(32)29-26-27(2,3)18-13-14-28(26,4)16-18)24(31)21-12-11-20(15-23(21)30)33-19-9-7-6-8-10-19/h6-12,15,17-18,26H,5,13-14,16H2,1-4H3,(H,29,32)/t18?,26-,28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50324662
(1-But-3-enyl-6-furan-2-yl-4-oxo-1,4-dihydro-quinol...)Show SMILES C=CCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1 |TLB:13:14:18:12.11.17,THB:13:12:18:14.19.15,15:14:11:16.18.17,15:16:11:14.19.13| Show InChI InChI=1S/C28H30N2O3/c1-2-3-8-30-17-23(26(31)22-13-21(6-7-24(22)30)25-5-4-9-33-25)27(32)29-28-14-18-10-19(15-28)12-20(11-18)16-28/h2,4-7,9,13,17-20H,1,3,8,10-12,14-16H2,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells |
J Med Chem 53: 5915-28 (2010)
Article DOI: 10.1021/jm100123x
BindingDB Entry DOI: 10.7270/Q2PC33BG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50392560
(CHEMBL2152812)Show SMILES CCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r| Show InChI InChI=1S/C30H36N2O2S/c1-5-6-16-32-19-24(27(34)31-28-29(2,3)20-14-15-30(28,4)18-20)26(33)23-13-12-22(17-25(23)32)35-21-10-8-7-9-11-21/h7-13,17,19-20,28H,5-6,14-16,18H2,1-4H3,(H,31,34)/t20?,28-,30-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50587299
(CHEMBL5077020) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50587302
(CHEMBL5080274)Show SMILES O=C(N1CCN(Cc2ccccc2)C(=O)C1)c1ccc(OCCCN2CCCCC2)cc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50324658
(6-bromo-4-oxo-1-pentyl-N-((1R,2R,4S)-1,3,3-trimeth...)Show SMILES CCCCCn1cc(C(=O)N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2cc(Br)ccc12 |r| Show InChI InChI=1S/C25H33BrN2O2/c1-5-6-7-12-28-15-19(21(29)18-13-17(26)8-9-20(18)28)22(30)27-23-24(2,3)16-10-11-25(23,4)14-16/h8-9,13,15-16,23H,5-7,10-12,14H2,1-4H3,(H,27,30)/t16-,23-,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells |
J Med Chem 53: 5915-28 (2010)
Article DOI: 10.1021/jm100123x
BindingDB Entry DOI: 10.7270/Q2PC33BG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50272486
(CHEMBL498527 | N-(Adamant-1-yl)-4-oxo-1-pentyl-7-(...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C31H36N2O2S/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-11-10-25(16-28(26)33)36-24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180022
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180022
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells |
J Med Chem 53: 5915-28 (2010)
Article DOI: 10.1021/jm100123x
BindingDB Entry DOI: 10.7270/Q2PC33BG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50392554
(CHEMBL2152806)Show SMILES COCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C23H29FN2O3/c1-22(2)14-7-8-23(3,12-14)21(22)25-20(28)17-13-26(9-10-29-4)18-11-15(24)5-6-16(18)19(17)27/h5-6,11,13-14,21H,7-10,12H2,1-4H3,(H,25,28)/t14?,21-,23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50272388
(6-Isopropyl-4-oxo-1-pentyl-1,4-dihydro-quinoline-3...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C(C)C |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C28H38N2O2/c1-4-5-6-9-30-17-24(26(31)23-13-22(18(2)3)7-8-25(23)30)27(32)29-28-14-19-10-20(15-28)12-21(11-19)16-28/h7-8,13,17-21H,4-6,9-12,14-16H2,1-3H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
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GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells |
J Med Chem 53: 5915-28 (2010)
Article DOI: 10.1021/jm100123x
BindingDB Entry DOI: 10.7270/Q2PC33BG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50392565
(CHEMBL2152817)Show SMILES CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCSc2ccccc2)c2cc(Sc3ccccc3)ccc2c1=O |r| Show InChI InChI=1S/C36H40N2O2S2/c1-35(2)25-18-19-36(3,23-25)34(35)37-33(40)30-24-38(20-10-11-21-41-26-12-6-4-7-13-26)31-22-28(16-17-29(31)32(30)39)42-27-14-8-5-9-15-27/h4-9,12-17,22,24-25,34H,10-11,18-21,23H2,1-3H3,(H,37,40)/t25?,34-,36-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50392548
(CHEMBL2152800)Show SMILES CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C22H27FN2O2/c1-5-25-12-16(18(26)15-7-6-14(23)10-17(15)25)19(27)24-20-21(2,3)13-8-9-22(20,4)11-13/h6-7,10,12-13,20H,5,8-9,11H2,1-4H3,(H,24,27)/t13?,20-,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50324654
(6-Cyclohexyl-4-oxo-1-pentyl-1,4-dihydro-quinoline-...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C1CCCCC1 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,THB:16:15:12:17.19.18,16:17:12:15.20.14| Show InChI InChI=1S/C31H42N2O2/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-16-25(10-11-28(26)33)24-8-5-4-6-9-24/h10-11,16,20-24H,2-9,12-15,17-19H2,1H3,(H,32,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells |
J Med Chem 53: 5915-28 (2010)
Article DOI: 10.1021/jm100123x
BindingDB Entry DOI: 10.7270/Q2PC33BG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50392553
(CHEMBL2152805)Show SMILES CN(C)CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C24H32FN3O2/c1-23(2)15-8-9-24(3,13-15)22(23)26-21(30)18-14-28(11-10-27(4)5)19-12-16(25)6-7-17(19)20(18)29/h6-7,12,14-15,22H,8-11,13H2,1-5H3,(H,26,30)/t15?,22-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50324653
(CHEMBL1215963 | N-(Adamantan-1-yl)-6-(1H-imidazol-...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-n1ccnc1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:17:12:15.20.14,16:15:12:17.19.18| Show InChI InChI=1S/C28H34N4O2/c1-2-3-4-8-31-17-24(26(33)23-13-22(5-6-25(23)31)32-9-7-29-18-32)27(34)30-28-14-19-10-20(15-28)12-21(11-19)16-28/h5-7,9,13,17-21H,2-4,8,10-12,14-16H2,1H3,(H,30,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells |
J Med Chem 53: 5915-28 (2010)
Article DOI: 10.1021/jm100123x
BindingDB Entry DOI: 10.7270/Q2PC33BG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50324637
(6-Cyclohex-1-enyl-4-oxo-1-pentyl-1,4-dihydro-quino...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C1=CCCCC1 |t:34,TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:17:12:15.20.14,16:15:12:17.19.18| Show InChI InChI=1S/C31H40N2O2/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-16-25(10-11-28(26)33)24-8-5-4-6-9-24/h8,10-11,16,20-23H,2-7,9,12-15,17-19H2,1H3,(H,32,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells |
J Med Chem 53: 5915-28 (2010)
Article DOI: 10.1021/jm100123x
BindingDB Entry DOI: 10.7270/Q2PC33BG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50324650
(CHEMBL1215888 | N-(Adamantan-1-yl)-6-ethynyl-4-oxo...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C#C |TLB:18:13:20:17.19.16,18:17:20:13.12.14,14:15:19:13.12.18,THB:14:13:19:15.20.16| Show InChI InChI=1S/C27H32N2O2/c1-3-5-6-9-29-17-23(25(30)22-13-18(4-2)7-8-24(22)29)26(31)28-27-14-19-10-20(15-27)12-21(11-19)16-27/h2,7-8,13,17,19-21H,3,5-6,9-12,14-16H2,1H3,(H,28,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells |
J Med Chem 53: 5915-28 (2010)
Article DOI: 10.1021/jm100123x
BindingDB Entry DOI: 10.7270/Q2PC33BG |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 2
(Homo sapiens (Human)) | BDBM85078
(CAS_150828-75-4 | Ro 25-1392)Show SMILES CCCCCCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)CC)C(=O)NC(CC(N)=O)C(=O)N1)C(C)CC)C(N)=O |r| Show InChI InChI=1S/C65H111N15O13/c1-9-12-13-14-15-16-20-29-44(55(69)83)72-58(86)47(31-22-25-34-67)75-64(92)53(40(6)10-2)80-63(91)50-38-52(82)70-35-26-23-32-46(74-59(87)45(30-21-24-33-66)73-57(85)42(8)71-56(84)39(4)5)60(88)76-48(36-43-27-18-17-19-28-43)62(90)79-54(41(7)11-3)65(93)78-49(37-51(68)81)61(89)77-50/h17-19,27-28,39-42,44-50,53-54H,9-16,20-26,29-38,66-67H2,1-8H3,(H2,68,81)(H2,69,83)(H,70,82)(H,71,84)(H,72,86)(H,73,85)(H,74,87)(H,75,92)(H,76,88)(H,77,89)(H,78,93)(H,79,90)(H,80,91)/t40?,41?,42-,44-,45-,46-,47-,48-,49?,50-,53-,54-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California, San Francisco
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 281: 629-33 (1997)
BindingDB Entry DOI: 10.7270/Q26T0K51 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50247053
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2 | PDB
Reactome pathway
KEGG
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| Purchase
CHEMBL
MCE
PC cid
PC sid
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Patents
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| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF |
More data for this
Ligand-Target Pair | |
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