Found 803 hits with Last Name = 'ellsworth' and Initial = 'b' 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)) | BDBM50011322
(CHEMBL3260745)Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O Show InChI InChI=1S/C28H20ClF3N6O2/c1-3-36-27(40)38-25(35-36)23(18-8-11-21(29)12-9-18)24(19-6-4-17(14-33)5-7-19)26(39)37(38)15-20-10-13-22(28(30,31)32)34-16(20)2/h4-13H,3,15H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011324
(CHEMBL3260747)Show SMILES CCc1nc(ccc1Cn1n2c(nn(CC)c2=O)c(-c2ccc(Cl)cc2)c(-c2ccc(cc2)C#N)c1=O)C(F)(F)F Show InChI InChI=1S/C29H22ClF3N6O2/c1-3-22-20(11-14-23(35-22)29(31,32)33)16-38-27(40)25(19-7-5-17(15-34)6-8-19)24(18-9-12-21(30)13-10-18)26-36-37(4-2)28(41)39(26)38/h5-14H,3-4,16H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011328
(CHEMBL3259829)Show SMILES CCCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O Show InChI InChI=1S/C29H22ClF3N6O2/c1-3-14-37-28(41)39-26(36-37)24(19-8-11-22(30)12-9-19)25(20-6-4-18(15-34)5-7-20)27(40)38(39)16-21-10-13-23(29(31,32)33)35-17(21)2/h4-13H,3,14,16H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011326
(CHEMBL3260748)Show SMILES CC(C)n1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O Show InChI InChI=1S/C29H22ClF3N6O2/c1-16(2)38-28(41)39-26(36-38)24(19-8-11-22(30)12-9-19)25(20-6-4-18(14-34)5-7-20)27(40)37(39)15-21-10-13-23(29(31,32)33)35-17(21)3/h4-13,16H,15H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011330
(CHEMBL3260750)Show SMILES CCn1nc2c(-c3ccc(C)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O Show InChI InChI=1S/C29H23F3N6O2/c1-4-36-28(40)38-26(35-36)24(20-9-5-17(2)6-10-20)25(21-11-7-19(15-33)8-12-21)27(39)37(38)16-22-13-14-23(29(30,31)32)34-18(22)3/h5-14H,4,16H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21279
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/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
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 17: 3978-82 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.087
BindingDB Entry DOI: 10.7270/Q2FN15XR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011323
(CHEMBL3260746)Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(C#N)c(C)c3)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O Show InChI InChI=1S/C29H22ClF3N6O2/c1-4-37-28(41)39-26(36-37)24(18-7-10-22(30)11-8-18)25(19-5-6-20(14-34)16(2)13-19)27(40)38(39)15-21-9-12-23(29(31,32)33)35-17(21)3/h5-13H,4,15H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011334
(CHEMBL3260754)Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3F)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O |(14.54,-16.67,;15.31,-15.33,;14.53,-14,;13,-13.84,;12.68,-12.33,;11.35,-11.56,;10.01,-12.34,;10.02,-13.88,;8.68,-14.65,;7.35,-13.89,;6.01,-14.66,;7.35,-12.34,;8.68,-11.57,;11.34,-10.03,;10.01,-9.26,;8.68,-10.03,;7.35,-9.26,;7.34,-7.72,;8.67,-6.95,;10.01,-7.72,;11.34,-6.95,;12.68,-9.26,;12.67,-7.72,;14.01,-10.02,;15.35,-9.25,;15.34,-7.71,;14,-6.95,;13.98,-5.41,;15.32,-4.62,;16.67,-5.39,;16.67,-6.93,;18.01,-7.69,;15.31,-3.08,;16.64,-2.3,;13.97,-2.32,;15.3,-1.53,;14.01,-11.57,;15.16,-12.6,;16.66,-12.27,)| Show InChI InChI=1S/C26H19ClF4N6O2/c1-3-35-25(39)37-23(34-35)21(15-4-7-17(27)8-5-15)22(18-10-11-32-12-19(18)28)24(38)36(37)13-16-6-9-20(26(29,30)31)33-14(16)2/h4-12H,3,13H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011310
(CHEMBL3260737)Show SMILES Clc1ccc(cc1)-c1c(-c2ccncc2)c2nn(Cc3ccc(cc3)C#N)c(=O)n2n(Cc2ccc(cc2)C#N)c1=O Show InChI InChI=1S/C32H20ClN7O2/c33-27-11-9-25(10-12-27)29-28(26-13-15-36-16-14-26)30-37-38(19-23-5-1-21(17-34)2-6-23)32(42)40(30)39(31(29)41)20-24-7-3-22(18-35)4-8-24/h1-16H,19-20H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011316
(CHEMBL3260743)Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O Show InChI InChI=1S/C26H20ClF3N6O2/c1-3-34-25(38)36-23(33-34)21(16-4-7-19(27)8-5-16)22(17-10-12-31-13-11-17)24(37)35(36)14-18-6-9-20(26(28,29)30)32-15(18)2/h4-13H,3,14H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011333
(CHEMBL3260753)Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3cnc(C)nc3)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O Show InChI InChI=1S/C26H21ClF3N7O2/c1-4-35-25(39)37-23(34-35)21(16-5-8-19(27)9-6-16)22(18-11-31-15(3)32-12-18)24(38)36(37)13-17-7-10-20(26(28,29)30)33-14(17)2/h5-12H,4,13H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011331
(CHEMBL3260751)Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(cc3)C#N)n2c1=O Show InChI InChI=1S/C28H19ClN6O2/c1-2-33-28(37)35-26(32-33)24(21-11-13-23(29)14-12-21)25(22-9-7-19(16-31)8-10-22)27(36)34(35)17-20-5-3-18(15-30)4-6-20/h3-14H,2,17H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011332
(CHEMBL3260752)Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(CO)nc3)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O Show InChI InChI=1S/C27H22ClF3N6O3/c1-3-35-26(40)37-24(34-35)22(16-4-8-19(28)9-5-16)23(17-6-10-20(14-38)32-12-17)25(39)36(37)13-18-7-11-21(27(29,30)31)33-15(18)2/h4-12,38H,3,13-14H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213486
(CHEMBL247515 | N-(4-phenylbutan-2-yl)-5,6-dip-toly...)Show SMILES CC(CCc1ccccc1)NC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1 |w:1.0| Show InChI InChI=1S/C29H29N3O/c1-20-9-15-24(16-10-20)27-28(25-17-11-21(2)12-18-25)32-26(19-30-27)29(33)31-22(3)13-14-23-7-5-4-6-8-23/h4-12,15-19,22H,13-14H2,1-3H3,(H,31,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 17: 3978-82 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.087
BindingDB Entry DOI: 10.7270/Q2FN15XR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011317
(CHEMBL3260744)Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3C)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O |(16.96,-15.83,;17.73,-14.5,;16.96,-13.17,;15.43,-13.01,;15.11,-11.5,;13.78,-10.73,;12.44,-11.51,;12.44,-13.05,;11.11,-13.82,;9.77,-13.05,;8.44,-13.82,;9.77,-11.51,;11.11,-10.74,;13.77,-9.2,;12.44,-8.43,;11.11,-9.2,;9.77,-8.43,;9.77,-6.89,;11.1,-6.12,;12.44,-6.89,;13.78,-5.75,;15.1,-8.42,;15.1,-6.89,;16.44,-9.19,;17.77,-8.42,;17.76,-6.87,;16.42,-6.12,;16.41,-4.58,;17.75,-3.79,;19.09,-4.55,;19.1,-6.1,;20.44,-6.86,;17.74,-2.25,;19.06,-1.47,;16.4,-1.49,;17.72,-.7,;16.44,-10.73,;17.58,-11.76,;19.09,-11.44,)| Show InChI InChI=1S/C27H22ClF3N6O2/c1-4-35-26(39)37-24(34-35)22(17-5-8-19(28)9-6-17)23(20-11-12-32-13-15(20)2)25(38)36(37)14-18-7-10-21(27(29,30)31)33-16(18)3/h5-13H,4,14H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011314
(CHEMBL3260741)Show SMILES Cc1nc(ccc1Cn1n2c(nn(C)c2=O)c(-c2ccc(Cl)cc2)c(-c2ccncc2)c1=O)C(F)(F)F Show InChI InChI=1S/C25H18ClF3N6O2/c1-14-17(5-8-19(31-14)25(27,28)29)13-34-23(36)21(16-9-11-30-12-10-16)20(15-3-6-18(26)7-4-15)22-32-33(2)24(37)35(22)34/h3-12H,13H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Free fatty acid receptor 1
(Homo sapiens (Human)) | BDBM50267028
(CHEMBL4073525)Show SMILES Cc1cc(OCc2ccccc2)ccc1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r| Show InChI InChI=1S/C27H26F3NO4/c1-18-13-24(34-17-19-5-3-2-4-6-19)11-12-25(18)35-23-9-7-21(8-10-23)31-16-20(27(28,29)30)14-22(31)15-26(32)33/h2-13,20,22H,14-17H2,1H3,(H,32,33)/t20-,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay |
J Med Chem 60: 1417-1431 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011307
(CHEMBL3260734)Show SMILES COc1nn2c(nn(Cc3ccc(nc3)C(F)(F)F)c2=O)c(-c2ccncc2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H16ClF3N6O2/c1-36-22-20(15-3-5-17(25)6-4-15)19(16-8-10-29-11-9-16)21-31-33(23(35)34(21)32-22)13-14-2-7-18(30-12-14)24(26,27)28/h2-12H,13H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011329
(CHEMBL3260749)Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(C)cc3)n2c1=O Show InChI InChI=1S/C28H22ClN5O2/c1-3-32-28(36)34-26(31-32)24(21-12-14-23(29)15-13-21)25(22-10-8-19(16-30)9-11-22)27(35)33(34)17-20-6-4-18(2)5-7-20/h4-15H,3,17H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50356013
(CHEMBL1911374 | CHEMBL1911375)Show SMILES FC(F)(F)c1ccc(Cn2nc3c(-c4ccncc4)c(cnn3c2=O)-c2ccc(Cl)cc2)cn1 Show InChI InChI=1S/C23H14ClF3N6O/c24-17-4-2-15(3-5-17)18-12-30-33-21(20(18)16-7-9-28-10-8-16)31-32(22(33)34)13-14-1-6-19(29-11-14)23(25,26)27/h1-12H,13H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Free fatty acid receptor 1
(Homo sapiens (Human)) | BDBM50267031
(CHEMBL4079930)Show SMILES Cc1c(Cl)cccc1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r| Show InChI InChI=1S/C20H19ClF3NO3/c1-12-17(21)3-2-4-18(12)28-16-7-5-14(6-8-16)25-11-13(20(22,23)24)9-15(25)10-19(26)27/h2-8,13,15H,9-11H2,1H3,(H,26,27)/t13-,15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay |
J Med Chem 60: 1417-1431 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213468
((S)-5,6-bis(4-chlorophenyl)-N-(1-hydroxy-4-methylp...)Show SMILES CC(C)C[C@@H](CO)NC(=O)c1cnc(-c2ccc(Cl)cc2)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H23Cl2N3O2/c1-14(2)11-19(13-29)27-23(30)20-12-26-21(15-3-7-17(24)8-4-15)22(28-20)16-5-9-18(25)10-6-16/h3-10,12,14,19,29H,11,13H2,1-2H3,(H,27,30)/t19-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| 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 |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 17: 3978-82 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.087
BindingDB Entry DOI: 10.7270/Q2FN15XR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011315
(CHEMBL3260742)Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(nc3)C(F)(F)F)n2c1=O Show InChI InChI=1S/C25H18ClF3N6O2/c1-2-33-24(37)35-22(32-33)20(16-4-6-18(26)7-5-16)21(17-9-11-30-12-10-17)23(36)34(35)14-15-3-8-19(31-13-15)25(27,28)29/h3-13H,2,14H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213467
(CHEMBL246063 | N-(3-phenylpropyl)-5,6-dip-tolylpyr...)Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NCCCc1ccccc1 Show InChI InChI=1S/C28H27N3O/c1-20-10-14-23(15-11-20)26-27(24-16-12-21(2)13-17-24)31-25(19-30-26)28(32)29-18-6-9-22-7-4-3-5-8-22/h3-5,7-8,10-17,19H,6,9,18H2,1-2H3,(H,29,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 17: 3978-82 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.087
BindingDB Entry DOI: 10.7270/Q2FN15XR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011309
(CHEMBL3260736)Show SMILES Cn1n2c(nn(Cc3ccc(nc3)C(F)(F)F)c2=O)c(-c2ccncc2)c(-c2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C24H16ClF3N6O2/c1-32-22(35)20(15-3-5-17(25)6-4-15)19(16-8-10-29-11-9-16)21-31-33(23(36)34(21)32)13-14-2-7-18(30-12-14)24(26,27)28/h2-12H,13H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213462
(CHEMBL396695 | N-(3-(methyl(phenyl)amino)propyl)-5...)Show SMILES CN(CCCNC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1)c1ccccc1 Show InChI InChI=1S/C29H30N4O/c1-21-10-14-23(15-11-21)27-28(24-16-12-22(2)13-17-24)32-26(20-31-27)29(34)30-18-7-19-33(3)25-8-5-4-6-9-25/h4-6,8-17,20H,7,18-19H2,1-3H3,(H,30,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 17: 3978-82 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.087
BindingDB Entry DOI: 10.7270/Q2FN15XR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011313
(CHEMBL3260740)Show SMILES Cn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(nc3)C(F)(F)F)n2c1=O Show InChI InChI=1S/C24H16ClF3N6O2/c1-32-23(36)34-21(31-32)19(15-3-5-17(25)6-4-15)20(16-8-10-29-11-9-16)22(35)33(34)13-14-2-7-18(30-12-14)24(26,27)28/h2-12H,13H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011312
(CHEMBL3260739)Show SMILES Cn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(cc3)C#N)n2c1=O Show InChI InChI=1S/C25H17ClN6O2/c1-30-25(34)32-23(29-30)21(18-6-8-20(26)9-7-18)22(19-10-12-28-13-11-19)24(33)31(32)15-17-4-2-16(14-27)3-5-17/h2-13H,15H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50213468
((S)-5,6-bis(4-chlorophenyl)-N-(1-hydroxy-4-methylp...)Show SMILES CC(C)C[C@@H](CO)NC(=O)c1cnc(-c2ccc(Cl)cc2)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H23Cl2N3O2/c1-14(2)11-19(13-29)27-23(30)20-12-26-21(15-3-7-17(24)8-4-15)22(28-20)16-5-9-18(25)10-6-16/h3-10,12,14,19,29H,11,13H2,1-2H3,(H,27,30)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to rat CB1 receptor |
Bioorg Med Chem Lett 17: 3978-82 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.087
BindingDB Entry DOI: 10.7270/Q2FN15XR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213478
(CHEMBL245467 | N-(1-hydroxy-2,3-dihydro-1H-inden-2...)Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NC1Cc2ccccc2C1O |w:23.25,31.36| Show InChI InChI=1S/C28H25N3O2/c1-17-7-11-19(12-8-17)25-26(20-13-9-18(2)10-14-20)30-24(16-29-25)28(33)31-23-15-21-5-3-4-6-22(21)27(23)32/h3-14,16,23,27,32H,15H2,1-2H3,(H,31,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 17: 3978-82 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.087
BindingDB Entry DOI: 10.7270/Q2FN15XR |
More data for this
Ligand-Target Pair | |
Free fatty acid receptor 1
(Homo sapiens (Human)) | BDBM50267009
(CHEMBL4089171)Show SMILES Cc1ccccc1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3NO3/c1-13-4-2-3-5-18(13)27-17-8-6-15(7-9-17)24-12-14(20(21,22)23)10-16(24)11-19(25)26/h2-9,14,16H,10-12H2,1H3,(H,25,26)/t14-,16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method |
J Med Chem 60: 1417-1431 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50213465
((S)-N-(1-hydroxy-4-methylpentan-2-yl)-5,6-dip-toly...)Show SMILES CC(C)C[C@@H](CO)NC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1 Show InChI InChI=1S/C25H29N3O2/c1-16(2)13-21(15-29)27-25(30)22-14-26-23(19-9-5-17(3)6-10-19)24(28-22)20-11-7-18(4)8-12-20/h5-12,14,16,21,29H,13,15H2,1-4H3,(H,27,30)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to rat CB1 receptor |
Bioorg Med Chem Lett 17: 3978-82 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.087
BindingDB Entry DOI: 10.7270/Q2FN15XR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213477
(CHEMBL247516 | N-(1-(2,6-dimethylphenoxy)propan-2-...)Show SMILES CC(COc1c(C)cccc1C)NC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1 |w:1.0| Show InChI InChI=1S/C30H31N3O2/c1-19-9-13-24(14-10-19)27-28(25-15-11-20(2)12-16-25)33-26(17-31-27)30(34)32-23(5)18-35-29-21(3)7-6-8-22(29)4/h6-17,23H,18H2,1-5H3,(H,32,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 17: 3978-82 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.087
BindingDB Entry DOI: 10.7270/Q2FN15XR |
More data for this
Ligand-Target Pair | |
Free fatty acid receptor 1
(Homo sapiens (Human)) | BDBM50267029
(CHEMBL4069191)Show SMILES COc1ccc(Oc2ccc(cc2)N2C[C@H](C[C@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r| Show InChI InChI=1S/C21H22F3NO4/c1-13-9-18(28-2)7-8-19(13)29-17-5-3-15(4-6-17)25-12-14(21(22,23)24)10-16(25)11-20(26)27/h3-9,14,16H,10-12H2,1-2H3,(H,26,27)/t14-,16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method |
J Med Chem 60: 1417-1431 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213465
((S)-N-(1-hydroxy-4-methylpentan-2-yl)-5,6-dip-toly...)Show SMILES CC(C)C[C@@H](CO)NC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1 Show InChI InChI=1S/C25H29N3O2/c1-16(2)13-21(15-29)27-25(30)22-14-26-23(19-9-5-17(3)6-10-19)24(28-22)20-11-7-18(4)8-12-20/h5-12,14,16,21,29H,13,15H2,1-4H3,(H,27,30)/t21-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 17: 3978-82 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.087
BindingDB Entry DOI: 10.7270/Q2FN15XR |
More data for this
Ligand-Target Pair | |
Free fatty acid receptor 1
(Homo sapiens (Human)) | BDBM50267010
(CHEMBL4082395)Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@H](C[C@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r| Show InChI InChI=1S/C28H27F4NO3/c1-17-11-20(25-15-24(36-2)9-10-26(25)29)6-5-19(17)12-18-3-7-22(8-4-18)33-16-21(28(30,31)32)13-23(33)14-27(34)35/h3-11,15,21,23H,12-14,16H2,1-2H3,(H,34,35)/t21-,23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method |
J Med Chem 60: 1417-1431 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5 |
More data for this
Ligand-Target Pair | |
Free fatty acid receptor 1
(Homo sapiens (Human)) | BDBM50267117
(CHEMBL4060499)Show SMILES COc1ccc(F)c(Cc2cccc(Oc3ccc(cc3)N3C[C@H](C[C@H]3CC(O)=O)C(F)(F)F)c2C)c1 |r| Show InChI InChI=1S/C28H27F4NO4/c1-17-18(12-19-13-24(36-2)10-11-25(19)29)4-3-5-26(17)37-23-8-6-21(7-9-23)33-16-20(28(30,31)32)14-22(33)15-27(34)35/h3-11,13,20,22H,12,14-16H2,1-2H3,(H,34,35)/t20-,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method |
J Med Chem 60: 1417-1431 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213479
(CHEMBL394295 | N-((1R,2R)-2-(hydroxymethyl)cyclohe...)Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)N[C@@H]1CCCC[C@H]1CO Show InChI InChI=1S/C26H29N3O2/c1-17-7-11-19(12-8-17)24-25(20-13-9-18(2)10-14-20)28-23(15-27-24)26(31)29-22-6-4-3-5-21(22)16-30/h7-15,21-22,30H,3-6,16H2,1-2H3,(H,29,31)/t21-,22+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 17: 3978-82 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.087
BindingDB Entry DOI: 10.7270/Q2FN15XR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM35871
(5,6-di-p-tolyl-pyrazine-2-carboxylic acid piperidi...)Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C24H26N4O/c1-17-6-10-19(11-7-17)22-23(20-12-8-18(2)9-13-20)26-21(16-25-22)24(29)27-28-14-4-3-5-15-28/h6-13,16H,3-5,14-15H2,1-2H3,(H,27,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 17: 3978-82 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.087
BindingDB Entry DOI: 10.7270/Q2FN15XR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213476
(CHEMBL395923 | N-(cyclohexylmethyl)-5,6-dip-tolylp...)Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NCC1CCCCC1 Show InChI InChI=1S/C26H29N3O/c1-18-8-12-21(13-9-18)24-25(22-14-10-19(2)11-15-22)29-23(17-27-24)26(30)28-16-20-6-4-3-5-7-20/h8-15,17,20H,3-7,16H2,1-2H3,(H,28,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 17: 3978-82 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.087
BindingDB Entry DOI: 10.7270/Q2FN15XR |
More data for this
Ligand-Target Pair | |
Free fatty acid receptor 1
(Homo sapiens (Human)) | BDBM50267030
(CHEMBL4090240)Show SMILES Cc1cccc(Oc2ccc(cc2)N2C[C@H](C[C@H]2CC(O)=O)C(F)(F)F)c1C |r| Show InChI InChI=1S/C21H22F3NO3/c1-13-4-3-5-19(14(13)2)28-18-8-6-16(7-9-18)25-12-15(21(22,23)24)10-17(25)11-20(26)27/h3-9,15,17H,10-12H2,1-2H3,(H,26,27)/t15-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method |
J Med Chem 60: 1417-1431 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5 |
More data for this
Ligand-Target Pair | |
Free fatty acid receptor 1
(Homo sapiens (Human)) | BDBM50267044
(CHEMBL4069764)Show SMILES Cc1ccccc1Cc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3NO2/c1-14-4-2-3-5-16(14)10-15-6-8-18(9-7-15)25-13-17(21(22,23)24)11-19(25)12-20(26)27/h2-9,17,19H,10-13H2,1H3,(H,26,27)/t17-,19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method |
J Med Chem 60: 1417-1431 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011336
(CHEMBL3260756)Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3cnc(nc3)N(C)C)c(=O)n(Cc3ccc(cc3)C#N)n2c1=O Show InChI InChI=1S/C27H23ClN8O2/c1-4-34-27(38)36-24(32-34)22(19-9-11-21(28)12-10-19)23(20-14-30-26(31-15-20)33(2)3)25(37)35(36)16-18-7-5-17(13-29)6-8-18/h5-12,14-15H,4,16H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50213467
(CHEMBL246063 | N-(3-phenylpropyl)-5,6-dip-tolylpyr...)Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NCCCc1ccccc1 Show InChI InChI=1S/C28H27N3O/c1-20-10-14-23(15-11-20)26-27(24-16-12-21(2)13-17-24)31-25(19-30-26)28(32)29-18-6-9-22-7-4-3-5-8-22/h3-5,7-8,10-17,19H,6,9,18H2,1-2H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to rat CB1 receptor |
Bioorg Med Chem Lett 17: 3978-82 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.087
BindingDB Entry DOI: 10.7270/Q2FN15XR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011335
(CHEMBL3260755)Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3cnn(C)c3)c(=O)n(Cc3ccc(cc3)C#N)n2c1=O Show InChI InChI=1S/C25H20ClN7O2/c1-3-31-25(35)33-23(29-31)21(18-8-10-20(26)11-9-18)22(19-13-28-30(2)15-19)24(34)32(33)14-17-6-4-16(12-27)5-7-17/h4-11,13,15H,3,14H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213471
((S)-N-(1-amino-4-methyl-1-oxopentan-2-yl)-5,6-dip-...)Show SMILES CC(C)C[C@H](NC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1)C(N)=O Show InChI InChI=1S/C25H28N4O2/c1-15(2)13-20(24(26)30)29-25(31)21-14-27-22(18-9-5-16(3)6-10-18)23(28-21)19-11-7-17(4)8-12-19/h5-12,14-15,20H,13H2,1-4H3,(H2,26,30)(H,29,31)/t20-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 17: 3978-82 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.087
BindingDB Entry DOI: 10.7270/Q2FN15XR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213472
(CHEMBL397311 | N-benzyl-N-methyl-5,6-dip-tolylpyra...)Show SMILES CN(Cc1ccccc1)C(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1 Show InChI InChI=1S/C27H25N3O/c1-19-9-13-22(14-10-19)25-26(23-15-11-20(2)12-16-23)29-24(17-28-25)27(31)30(3)18-21-7-5-4-6-8-21/h4-17H,18H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 17: 3978-82 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.087
BindingDB Entry DOI: 10.7270/Q2FN15XR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213470
(CHEMBL248125 | N-(1-hydroxypentan-2-yl)-5,6-dip-to...)Show SMILES CCCC(CO)NC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1 |w:3.5| Show InChI InChI=1S/C24H27N3O2/c1-4-5-20(15-28)26-24(29)21-14-25-22(18-10-6-16(2)7-11-18)23(27-21)19-12-8-17(3)9-13-19/h6-14,20,28H,4-5,15H2,1-3H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 17: 3978-82 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.087
BindingDB Entry DOI: 10.7270/Q2FN15XR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213480
(CHEMBL247552 | N-((1R,2S)-2-(hydroxymethyl)cyclohe...)Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)N[C@@H]1CCCC[C@@H]1CO Show InChI InChI=1S/C26H29N3O2/c1-17-7-11-19(12-8-17)24-25(20-13-9-18(2)10-14-20)28-23(15-27-24)26(31)29-22-6-4-3-5-21(22)16-30/h7-15,21-22,30H,3-6,16H2,1-2H3,(H,29,31)/t21-,22-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 167 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 17: 3978-82 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.087
BindingDB Entry DOI: 10.7270/Q2FN15XR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213475
(CHEMBL246478 | N-isopentyl-5,6-dip-tolylpyrazine-2...)Show SMILES CC(C)CCNC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1 Show InChI InChI=1S/C24H27N3O/c1-16(2)13-14-25-24(28)21-15-26-22(19-9-5-17(3)6-10-19)23(27-21)20-11-7-18(4)8-12-20/h5-12,15-16H,13-14H2,1-4H3,(H,25,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 178 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 17: 3978-82 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.087
BindingDB Entry DOI: 10.7270/Q2FN15XR |
More data for this
Ligand-Target Pair | |
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