Found 269 hits with Last Name = 'wu' and Initial = 'ch' 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 1
(Homo sapiens (Human)) | BDBM50253843
(1-(2,4-Dichlorophenyl)-4-ethyl-5-(5-(pent-1-ynyl)t...)Show SMILES CCCC#Cc1ccc(s1)-c1c(CC)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C26H28Cl2N4OS/c1-3-5-7-10-19-12-14-23(34-19)25-20(4-2)24(26(33)30-31-15-8-6-9-16-31)29-32(25)22-13-11-18(27)17-21(22)28/h11-14,17H,3-6,8-9,15-16H2,1-2H3,(H,30,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253805
(CHEMBL460132 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...)Show SMILES CCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C26H28Cl2N4OS/c1-3-4-7-10-20-12-14-23(34-20)25-18(2)24(26(33)30-31-15-8-5-6-9-16-31)29-32(25)22-13-11-19(27)17-21(22)28/h11-14,17H,3-6,8-9,15-16H2,1-2H3,(H,30,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253806
(1-(2,4-Dichlorophenyl)-4-methyl-5-(5-(4-methylpent...)Show SMILES CC(C)CC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C26H28Cl2N4OS/c1-17(2)8-7-9-20-11-13-23(34-20)25-18(3)24(26(33)30-31-14-5-4-6-15-31)29-32(25)22-12-10-19(27)16-21(22)28/h10-13,16-17H,4-6,8,14-15H2,1-3H3,(H,30,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253807
(CHEMBL462686 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...)Show SMILES CC(C)CC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C27H30Cl2N4OS/c1-18(2)9-8-10-21-12-14-24(35-21)26-19(3)25(27(34)31-32-15-6-4-5-7-16-32)30-33(26)23-13-11-20(28)17-22(23)29/h11-14,17-18H,4-7,9,15-16H2,1-3H3,(H,31,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253844
(CHEMBL460987 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...)Show SMILES CCCC#Cc1ccc(s1)-c1c(CC)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C27H30Cl2N4OS/c1-3-5-8-11-20-13-15-24(35-20)26-21(4-2)25(27(34)31-32-16-9-6-7-10-17-32)30-33(26)23-14-12-19(28)18-22(23)29/h12-15,18H,3-7,9-10,16-17H2,1-2H3,(H,31,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253758
(1-(2,4-Dichlorophenyl)-4-methyl-5-(5-(pent-1-ynyl)...)Show SMILES CCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C25H26Cl2N4OS/c1-3-4-6-9-19-11-13-22(33-19)24-17(2)23(25(32)29-30-14-7-5-8-15-30)28-31(24)21-12-10-18(26)16-20(21)27/h10-13,16H,3-5,7-8,14-15H2,1-2H3,(H,29,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253918
(1-(2,4-Dichlorophenyl)-5-(5-(hex-1-ynyl)thiophen-2...)Show SMILES CCCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1 Show InChI InChI=1S/C28H30Cl2N4OS/c1-3-4-5-6-10-22-12-14-25(36-22)27-18(2)26(31-34(27)24-13-11-21(29)15-23(24)30)28(35)32-33-16-19-8-7-9-20(19)17-33/h11-15,19-20H,3-5,7-9,16-17H2,1-2H3,(H,32,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253917
(1-(2,4-Dichlorophenyl)-5-(5-(hex-1-ynyl)thiophen-2...)Show SMILES CCCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C26H28Cl2N4OS/c1-3-4-5-7-10-20-12-14-23(34-20)25-18(2)24(26(33)30-31-15-8-6-9-16-31)29-32(25)22-13-11-19(27)17-21(22)28/h11-14,17H,3-6,8-9,15-16H2,1-2H3,(H,30,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253298
(CHEMBL522522 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...)Show SMILES CCCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C27H30Cl2N4OS/c1-3-4-5-8-11-21-13-15-24(35-21)26-19(2)25(27(34)31-32-16-9-6-7-10-17-32)30-33(26)23-14-12-20(28)18-22(23)29/h12-15,18H,3-7,9-10,16-17H2,1-2H3,(H,31,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253300
(CHEMBL494300 | N-Cyclohexyl-1-(2,4-dichlorophenyl)...)Show SMILES CCCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C27H29Cl2N3OS/c1-3-4-5-9-12-21-14-16-24(34-21)26-18(2)25(27(33)30-20-10-7-6-8-11-20)31-32(26)23-15-13-19(28)17-22(23)29/h13-17,20H,3-8,10-11H2,1-2H3,(H,30,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253806
(1-(2,4-Dichlorophenyl)-4-methyl-5-(5-(4-methylpent...)Show SMILES CC(C)CC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C26H28Cl2N4OS/c1-17(2)8-7-9-20-11-13-23(34-20)25-18(3)24(26(33)30-31-14-5-4-6-15-31)29-32(25)22-12-10-19(27)16-21(22)28/h10-13,16-17H,4-6,8,14-15H2,1-3H3,(H,30,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253299
(1-(2,4-Dichlorophenyl)-5-(5-(hex-1-ynyl)thiophen-2...)Show SMILES CCCCCCNC(=O)c1nn(c(c1C)-c1ccc(s1)C#CCCCC)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C27H31Cl2N3OS/c1-4-6-8-10-12-21-14-16-24(34-21)26-19(3)25(27(33)30-17-11-9-7-5-2)31-32(26)23-15-13-20(28)18-22(23)29/h13-16,18H,4-9,11,17H2,1-3H3,(H,30,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253757
(CHEMBL462069 | N-Butyl-1-(2,4-dichlorophenyl)-5-(5...)Show SMILES CCCCNC(=O)c1nn(c(c1C)-c1ccc(s1)C#CCCCC)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H27Cl2N3OS/c1-4-6-8-9-10-19-12-14-22(32-19)24-17(3)23(25(31)28-15-7-5-2)29-30(24)21-13-11-18(26)16-20(21)27/h11-14,16H,4-8,15H2,1-3H3,(H,28,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253807
(CHEMBL462686 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...)Show SMILES CC(C)CC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C27H30Cl2N4OS/c1-18(2)9-8-10-21-12-14-24(35-21)26-19(3)25(27(34)31-32-15-6-4-5-7-16-32)30-33(26)23-13-11-20(28)17-22(23)29/h11-14,17-18H,4-7,9,15-16H2,1-3H3,(H,31,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253845
(1-(2,4-Dichlorophenyl)-4-ethyl-5-(5-(4-methylpent-...)Show SMILES CCc1c(nn(c1-c1ccc(s1)C#CCC(C)C)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C27H30Cl2N4OS/c1-4-21-25(27(34)31-32-15-6-5-7-16-32)30-33(23-13-11-19(28)17-22(23)29)26(21)24-14-12-20(35-24)10-8-9-18(2)3/h11-14,17-18H,4-7,9,15-16H2,1-3H3,(H,31,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253843
(1-(2,4-Dichlorophenyl)-4-ethyl-5-(5-(pent-1-ynyl)t...)Show SMILES CCCC#Cc1ccc(s1)-c1c(CC)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C26H28Cl2N4OS/c1-3-5-7-10-19-12-14-23(34-19)25-20(4-2)24(26(33)30-31-15-8-6-9-16-31)29-32(25)22-13-11-18(27)17-21(22)28/h11-14,17H,3-6,8-9,15-16H2,1-2H3,(H,30,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253529
(1-(2,4-Dichlorophenyl)-4-methyl-5-(5-(4-phenylbut-...)Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CCCc1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C30H28Cl2N4OS/c1-21-28(30(37)34-35-18-8-3-9-19-35)33-36(26-16-14-23(31)20-25(26)32)29(21)27-17-15-24(38-27)13-7-6-12-22-10-4-2-5-11-22/h2,4-5,10-11,14-17,20H,3,6,8-9,12,18-19H2,1H3,(H,34,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279126
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)Show SMILES CN1C(=NC(=S)C1(C)C)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2| Show InChI InChI=1S/C22H19Cl3N4S/c1-12-18(20-26-21(30)22(2,3)28(20)4)27-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253805
(CHEMBL460132 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...)Show SMILES CCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C26H28Cl2N4OS/c1-3-4-7-10-20-12-14-23(34-20)25-18(2)24(26(33)30-31-15-8-5-6-9-16-31)29-32(25)22-13-11-19(27)17-21(22)28/h11-14,17H,3-6,8-9,15-16H2,1-2H3,(H,30,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253476
(5-(5-(Cyclopentylethynyl)thiophen-2-yl)-1-(2,4-dic...)Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CC1CCCC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C27H28Cl2N4OS/c1-18-25(27(34)31-32-15-5-2-6-16-32)30-33(23-13-10-20(28)17-22(23)29)26(18)24-14-12-21(35-24)11-9-19-7-3-4-8-19/h10,12-14,17,19H,2-8,15-16H2,1H3,(H,31,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253527
(5-(5-(Cyclohexylethynyl)thiophen-2-yl)-1-(2,4-dich...)Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CC1CCCCC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C28H30Cl2N4OS/c1-19-26(28(35)32-33-16-6-3-7-17-33)31-34(24-14-11-21(29)18-23(24)30)27(19)25-15-13-22(36-25)12-10-20-8-4-2-5-9-20/h11,13-15,18,20H,2-9,16-17H2,1H3,(H,32,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253528
(5-(5-(Cyclohexylethynyl)thiophen-2-yl)-1-(2,4-dich...)Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CC1CCCCC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1 Show InChI InChI=1S/C30H32Cl2N4OS/c1-19-28(30(37)34-35-17-21-8-5-9-22(21)18-35)33-36(26-14-11-23(31)16-25(26)32)29(19)27-15-13-24(38-27)12-10-20-6-3-2-4-7-20/h11,13-16,20-22H,2-9,17-18H2,1H3,(H,34,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253804
(1-(2,4-Dichlorophenyl)-N-(hexahydrocyclopenta[c]py...)Show SMILES CCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1 Show InChI InChI=1S/C27H28Cl2N4OS/c1-3-4-5-9-21-11-13-24(35-21)26-17(2)25(30-33(26)23-12-10-20(28)14-22(23)29)27(34)31-32-15-18-7-6-8-19(18)16-32/h10-14,18-19H,3-4,6-8,15-16H2,1-2H3,(H,31,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330230
(1-(4-(((1S)-2-Hydroxy-1-phenylethyl)amino)-5,6,7,8...)Show SMILES OC[C@@H](Nc1ncnc2sc3CN(CCc3c12)C(=O)C=C)c1ccccc1 |r| Show InChI InChI=1S/C20H20N4O2S/c1-2-17(26)24-9-8-14-16(10-24)27-20-18(14)19(21-12-22-20)23-15(11-25)13-6-4-3-5-7-13/h2-7,12,15,25H,1,8-11H2,(H,21,22,23)/t15-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253844
(CHEMBL460987 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...)Show SMILES CCCC#Cc1ccc(s1)-c1c(CC)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C27H30Cl2N4OS/c1-3-5-8-11-20-13-15-24(35-20)26-21(4-2)25(27(34)31-32-16-9-6-7-10-17-32)30-33(26)23-14-12-19(28)18-22(23)29/h12-15,18H,3-7,9-10,16-17H2,1-2H3,(H,31,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330238
((E)-4-(Diethylamino)-1-(4-(((1R)-2-hydroxy-1-pheny...)Show SMILES CCN(CC)C\C=C\C(=O)N1CCc2c(C1)sc1ncnc(N[C@H](CO)c3ccccc3)c21 |r| Show InChI InChI=1S/C25H31N5O2S/c1-3-29(4-2)13-8-11-22(32)30-14-12-19-21(15-30)33-25-23(19)24(26-17-27-25)28-20(16-31)18-9-6-5-7-10-18/h5-11,17,20,31H,3-4,12-16H2,1-2H3,(H,26,27,28)/b11-8+/t20-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253477
(5-(5-(Cyclopentylethynyl)thiophen-2-yl)-1-(2,4-dic...)Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CC1CCCC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1 Show InChI InChI=1S/C29H30Cl2N4OS/c1-18-27(29(36)33-34-16-20-7-4-8-21(20)17-34)32-35(25-13-10-22(30)15-24(25)31)28(18)26-14-12-23(37-26)11-9-19-5-2-3-6-19/h10,12-15,19-21H,2-8,16-17H2,1H3,(H,33,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330242
((E)-4-(Dimethylamino)-1-(4-[(1S)-1-phenylpropyl]am...)Show SMILES CC[C@@H](Nc1ncnc2sc3CN(CCc3c12)C(=O)\C=C\CN(C)C)c1ccccc1 |r| Show InChI InChI=1S/C24H29N5OS/c1-4-19(17-9-6-5-7-10-17)27-23-22-18-12-14-29(21(30)11-8-13-28(2)3)15-20(18)31-24(22)26-16-25-23/h5-11,16,19H,4,12-15H2,1-3H3,(H,25,26,27)/b11-8+/t19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330241
((E)-4-(Dimethylamino)-1-(4-[(1R)-1-phenylethyl]ami...)Show SMILES C[C@@H](Nc1ncnc2sc3CN(CCc3c12)C(=O)\C=C\CN(C)C)c1ccccc1 |r| Show InChI InChI=1S/C23H27N5OS/c1-16(17-8-5-4-6-9-17)26-22-21-18-11-13-28(20(29)10-7-12-27(2)3)14-19(18)30-23(21)25-15-24-22/h4-10,15-16H,11-14H2,1-3H3,(H,24,25,26)/b10-7+/t16-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279166
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=S)C(C)(C)N1C |t:25| Show InChI InChI=1S/C23H21Cl3N4S/c1-5-16-19(21-27-22(31)23(2,3)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279205
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCCCC2)C(=O)N1 |t:25| Show InChI InChI=1S/C25H23Cl3N4O/c1-2-18-21(23-29-24(33)25(30-23)12-4-3-5-13-25)31-32(20-11-10-17(27)14-19(20)28)22(18)15-6-8-16(26)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,29,30,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12.3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253554
(3-(2,4-Dichlorophenyl)-4-(5-(3-ethoxyprop-1-ynyl)t...)Show SMILES CCOCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C25H26Cl2N4O2S/c1-3-33-15-7-8-19-10-12-22(34-19)24-17(2)23(25(32)29-30-13-5-4-6-14-30)28-31(24)21-11-9-18(26)16-20(21)27/h9-12,16H,3-6,13-15H2,1-2H3,(H,29,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12.7 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279086
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1C |t:25| Show InChI InChI=1S/C23H21Cl3N4O/c1-5-16-19(21-27-22(31)23(2,3)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12.9 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 13.2 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253758
(1-(2,4-Dichlorophenyl)-4-methyl-5-(5-(pent-1-ynyl)...)Show SMILES CCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C25H26Cl2N4OS/c1-3-4-6-9-19-11-13-22(33-19)24-17(2)23(25(32)29-30-14-7-5-8-15-30)28-31(24)21-12-10-18(26)16-20(21)27/h10-13,16H,3-5,7-8,14-15H2,1-2H3,(H,29,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13.9 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279204
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCCC2)C(=O)N1 |t:25| Show InChI InChI=1S/C24H21Cl3N4O/c1-2-17-20(22-28-23(32)24(29-22)11-3-4-12-24)30-31(19-10-9-16(26)13-18(19)27)21(17)14-5-7-15(25)8-6-14/h5-10,13H,2-4,11-12H2,1H3,(H,28,29,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14.6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279125
(2-[1-(2,4-Dichloro-phenyl)-4-methyl-5-(4-trifluoro...)Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(cc1)C(F)(F)F)-c1ccc(Cl)cc1Cl |c:2| Show InChI InChI=1S/C23H19Cl2F3N4O/c1-12-18(20-29-21(33)22(2,3)31(20)4)30-32(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(8-6-13)23(26,27)28/h5-11H,1-4H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15.9 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279123
(2-[5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-et...)Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1C |t:25| Show InChI InChI=1S/C23H21BrCl2N4O/c1-5-16-19(21-27-22(31)23(2,3)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16.3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50048468
(2-(4-Hydroxy-3-methoxy-phenyl)-5-(3-hydroxy-propyl...)Show InChI InChI=1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-11,21,23H,3-4,7H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]phenylisopropyladenosine from adenosine A1 receptor in bovine cerebral cortex membrane |
J Nat Prod 59: 625-628 (1996)
Article DOI: 10.1021/np9603939
BindingDB Entry DOI: 10.7270/Q22F7NF2 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330234
(1-(4-[(1R)-1-Phenylethyl]amino-5,6,7,8-tetrahydrop...)Show SMILES C[C@@H](Nc1ncnc2sc3CN(CCc3c12)C(=O)C=C)c1ccccc1 |r| Show InChI InChI=1S/C20H20N4OS/c1-3-17(25)24-10-9-15-16(11-24)26-20-18(15)19(21-12-22-20)23-13(2)14-7-5-4-6-8-14/h3-8,12-13H,1,9-11H2,2H3,(H,21,22,23)/t13-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253883
(1-(2,4-Dichlorophenyl)-N-(hexahydrocyclopenta[c]py...)Show SMILES CCCCCc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1 Show InChI InChI=1S/C27H32Cl2N4OS/c1-3-4-5-9-21-11-13-24(35-21)26-17(2)25(30-33(26)23-12-10-20(28)14-22(23)29)27(34)31-32-15-18-7-6-8-19(18)16-32/h10-14,18-19H,3-9,15-16H2,1-2H3,(H,31,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20.6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253475
(5-(5-(Cyclopropylethynyl)thiophen-2-yl)-1-(2,4-dic...)Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CC1CC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1 Show InChI InChI=1S/C27H26Cl2N4OS/c1-16-25(27(34)31-32-14-18-3-2-4-19(18)15-32)30-33(23-11-8-20(28)13-22(23)29)26(16)24-12-10-21(35-24)9-7-17-5-6-17/h8,10-13,17-19H,2-6,14-15H2,1H3,(H,31,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50330239
((E)-1-(4-[(1R)-2-Hydroxy-1-phenylethyl]amino-5,6,7...)Show SMILES OC[C@@H](Nc1ncnc2sc3CN(CCc3c12)C(=O)\C=C\CN1CCOCC1)c1ccccc1 |r| Show InChI InChI=1S/C25H29N5O3S/c31-16-20(18-5-2-1-3-6-18)28-24-23-19-8-10-30(15-21(19)34-25(23)27-17-26-24)22(32)7-4-9-29-11-13-33-14-12-29/h1-7,17,20,31H,8-16H2,(H,26,27,28)/b7-4+/t20-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 53: 7316-26 (2010)
Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253846
(1-(2,4-Dichlorophenyl)-4-methyl-5-[((E)-5-pent-1-e...)Show SMILES CCC\C=C\c1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C25H28Cl2N4OS/c1-3-4-6-9-19-11-13-22(33-19)24-17(2)23(25(32)29-30-14-7-5-8-15-30)28-31(24)21-12-10-18(26)16-20(21)27/h6,9-13,16H,3-5,7-8,14-15H2,1-2H3,(H,29,32)/b9-6+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 21.6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253329
(1-(2,4-Dichlorophenyl)-5-(5-(3,3-dimethylbut-1-yny...)Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CC(C)(C)C)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1 Show InChI InChI=1S/C28H30Cl2N4OS/c1-17-25(27(35)32-33-15-18-6-5-7-19(18)16-33)31-34(23-10-8-20(29)14-22(23)30)26(17)24-11-9-21(36-24)12-13-28(2,3)4/h8-11,14,18-19H,5-7,15-16H2,1-4H3,(H,32,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21.7 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50279203
(6-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCC2)C(=O)N1 |t:25| Show InChI InChI=1S/C23H19Cl3N4O/c1-2-16-19(21-27-22(31)23(28-21)10-3-11-23)29-30(18-9-8-15(25)12-17(18)26)20(16)13-4-6-14(24)7-5-13/h4-9,12H,2-3,10-11H2,1H3,(H,27,28,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22.8 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells |
J Med Chem 52: 4496-510 (2009)
Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253555
(1-(2,4-Dichlorophenyl)-5-(5-(3-isopropoxyprop-1-yn...)Show SMILES CC(C)OCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C26H28Cl2N4O2S/c1-17(2)34-15-7-8-20-10-12-23(35-20)25-18(3)24(26(33)30-31-13-5-4-6-14-31)29-32(25)22-11-9-19(27)16-21(22)28/h9-12,16-17H,4-6,13-15H2,1-3H3,(H,30,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23.2 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5397-412 (2008)
Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50247630
(CHEMBL4068500)Show SMILES Cc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C25H44N10/c1-20-17-24(31-22-9-14-27-15-10-22)32-25(30-20)29-18-23-19-35(34-33-23)16-6-12-26-11-5-13-28-21-7-3-2-4-8-21/h17,19,21-22,26-28H,2-16,18H2,1H3,(H2,29,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method |
J Med Chem 61: 818-833 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01322
BindingDB Entry DOI: 10.7270/Q2KH0QRM |
More data for this
Ligand-Target Pair | |
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