Found 1683 hits with Last Name = 'decker' and Initial = 'a' 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)) | BDBM50516264
(CHEMBL4463013)Show SMILES COCCN(C)C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H29Cl2N7O2/c1-34(15-16-38-2)27(37)32-19-11-13-35(14-12-19)25-23-26(31-17-30-25)36(20-9-7-18(28)8-10-20)24(33-23)21-5-3-4-6-22(21)29/h3-10,17,19H,11-16H2,1-2H3,(H,32,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516261
(CHEMBL4466640)Show SMILES CC(C)CN(C)C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H31Cl2N7O/c1-18(2)16-35(3)28(38)33-20-12-14-36(15-13-20)26-24-27(32-17-31-26)37(21-10-8-19(29)9-11-21)25(34-24)22-6-4-5-7-23(22)30/h4-11,17-18,20H,12-16H2,1-3H3,(H,33,38) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516262
(CHEMBL4567690)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)NCC1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C30H33Cl2N7O/c31-21-10-12-23(13-11-21)39-27(24-8-4-5-9-25(24)32)37-26-28(34-19-35-29(26)39)38-16-14-22(15-17-38)36-30(40)33-18-20-6-2-1-3-7-20/h4-5,8-13,19-20,22H,1-3,6-7,14-18H2,(H2,33,36,40) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516249
(CHEMBL4524602)Show SMILES CCCN(C)C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H29Cl2N7O/c1-3-14-34(2)27(37)32-19-12-15-35(16-13-19)25-23-26(31-17-30-25)36(20-10-8-18(28)9-11-20)24(33-23)21-6-4-5-7-22(21)29/h4-11,17,19H,3,12-16H2,1-2H3,(H,32,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516238
(CHEMBL4578966)Show SMILES CCCN(CC(F)(F)F)C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H28Cl2F3N7O/c1-2-13-39(16-28(31,32)33)27(41)36-19-11-14-38(15-12-19)25-23-26(35-17-34-25)40(20-9-7-18(29)8-10-20)24(37-23)21-5-3-4-6-22(21)30/h3-10,17,19H,2,11-16H2,1H3,(H,36,41) | PDB
NCI pathway
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 |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516250
(CHEMBL4450173)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)N1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C28H29Cl2N7O/c29-19-8-10-21(11-9-19)37-25(22-6-2-3-7-23(22)30)34-24-26(31-18-32-27(24)37)35-16-12-20(13-17-35)33-28(38)36-14-4-1-5-15-36/h2-3,6-11,18,20H,1,4-5,12-17H2,(H,33,38) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516237
(CHEMBL4533562)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)NC1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C29H31Cl2N7O/c30-19-10-12-22(13-11-19)38-26(23-8-4-5-9-24(23)31)36-25-27(32-18-33-28(25)38)37-16-14-21(15-17-37)35-29(39)34-20-6-2-1-3-7-20/h4-5,8-13,18,20-21H,1-3,6-7,14-17H2,(H2,34,35,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516260
(CHEMBL4534007)Show SMILES Fc1ccccc1CNC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H26Cl2FN7O/c31-20-9-11-22(12-10-20)40-27(23-6-2-3-7-24(23)32)38-26-28(35-18-36-29(26)40)39-15-13-21(14-16-39)37-30(41)34-17-19-5-1-4-8-25(19)33/h1-12,18,21H,13-17H2,(H2,34,37,41) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516251
(CHEMBL4449377)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)NC1CCCC1)-c1ccccc1Cl Show InChI InChI=1S/C28H29Cl2N7O/c29-18-9-11-21(12-10-18)37-25(22-7-3-4-8-23(22)30)35-24-26(31-17-32-27(24)37)36-15-13-20(14-16-36)34-28(38)33-19-5-1-2-6-19/h3-4,7-12,17,19-20H,1-2,5-6,13-16H2,(H2,33,34,38) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516256
(CHEMBL4555599)Show SMILES Fc1ccc(CNC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C30H26Cl2FN7O/c31-20-7-11-23(12-8-20)40-27(24-3-1-2-4-25(24)32)38-26-28(35-18-36-29(26)40)39-15-13-22(14-16-39)37-30(41)34-17-19-5-9-21(33)10-6-19/h1-12,18,22H,13-17H2,(H2,34,37,41) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516257
(CHEMBL4519913)Show SMILES Fc1ccccc1NC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H24Cl2FN7O/c30-18-9-11-20(12-10-18)39-26(21-5-1-2-6-22(21)31)37-25-27(33-17-34-28(25)39)38-15-13-19(14-16-38)35-29(40)36-24-8-4-3-7-23(24)32/h1-12,17,19H,13-16H2,(H2,35,36,40) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516242
(CHEMBL4535004)Show SMILES CC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)NC(=O)Nc1ccccc1F Show InChI InChI=1S/C30H26Cl2FN7O/c1-30(38-29(41)36-24-9-5-4-8-23(24)33)14-16-39(17-15-30)27-25-28(35-18-34-27)40(20-12-10-19(31)11-13-20)26(37-25)21-6-2-3-7-22(21)32/h2-13,18H,14-17H2,1H3,(H2,36,38,41) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516253
(CHEMBL4454168)Show SMILES CC1(CCC(F)(F)CC1)NC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H31Cl2F2N7O/c1-29(12-14-30(33,34)15-13-29)39-28(42)37-20-10-16-40(17-11-20)26-24-27(36-18-35-26)41(21-8-6-19(31)7-9-21)25(38-24)22-4-2-3-5-23(22)32/h2-9,18,20H,10-17H2,1H3,(H2,37,39,42) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516246
(CHEMBL4453295)Show SMILES CC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)NC(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C30H25Cl2F2N7O/c1-30(39-29(42)37-24-11-8-19(33)16-23(24)34)12-14-40(15-13-30)27-25-28(36-17-35-27)41(20-9-6-18(31)7-10-20)26(38-25)21-4-2-3-5-22(21)32/h2-11,16-17H,12-15H2,1H3,(H2,37,39,42) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516252
(CHEMBL4590515)Show SMILES FC(F)(F)C1(CCCC1)NC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H28Cl2F3N7O/c30-18-7-9-20(10-8-18)41-24(21-5-1-2-6-22(21)31)38-23-25(35-17-36-26(23)41)40-15-11-19(12-16-40)37-27(42)39-28(29(32,33)34)13-3-4-14-28/h1-2,5-10,17,19H,3-4,11-16H2,(H2,37,39,42) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516239
(CHEMBL4462028)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)Nc1ccccc1)-c1ccccc1Cl Show InChI InChI=1S/C29H25Cl2N7O/c30-19-10-12-22(13-11-19)38-26(23-8-4-5-9-24(23)31)36-25-27(32-18-33-28(25)38)37-16-14-21(15-17-37)35-29(39)34-20-6-2-1-3-7-20/h1-13,18,21H,14-17H2,(H2,34,35,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516265
(CHEMBL4438188)Show SMILES CC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)NS(=O)(=O)NC1CCCCC1 Show InChI InChI=1S/C29H33Cl2N7O2S/c1-29(36-41(39,40)35-21-7-3-2-4-8-21)15-17-37(18-16-29)27-25-28(33-19-32-27)38(22-13-11-20(30)12-14-22)26(34-25)23-9-5-6-10-24(23)31/h5-6,9-14,19,21,35-36H,2-4,7-8,15-18H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516244
(CHEMBL4532150)Show SMILES CC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)NC(=O)NC1CCCCC1 Show InChI InChI=1S/C30H33Cl2N7O/c1-30(37-29(40)35-21-7-3-2-4-8-21)15-17-38(18-16-30)27-25-28(34-19-33-27)39(22-13-11-20(31)12-14-22)26(36-25)23-9-5-6-10-24(23)32/h5-6,9-14,19,21H,2-4,7-8,15-18H2,1H3,(H2,35,37,40) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516236
(CHEMBL4473591)Show SMILES Fc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C29H23Cl2F2N7O/c30-17-5-8-20(9-6-17)40-26(21-3-1-2-4-22(21)31)38-25-27(34-16-35-28(25)40)39-13-11-19(12-14-39)36-29(41)37-24-10-7-18(32)15-23(24)33/h1-10,15-16,19H,11-14H2,(H2,36,37,41) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516240
(CHEMBL4443398)Show SMILES CC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)NC(=O)NCc1ccccc1F Show InChI InChI=1S/C31H28Cl2FN7O/c1-31(39-30(42)35-18-20-6-2-5-9-25(20)34)14-16-40(17-15-31)28-26-29(37-19-36-28)41(22-12-10-21(32)11-13-22)27(38-26)23-7-3-4-8-24(23)33/h2-13,19H,14-18H2,1H3,(H2,35,39,42) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516245
(CHEMBL4452900)Show SMILES CC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)NC(=O)NC1CCC(F)(F)CC1 Show InChI InChI=1S/C30H31Cl2F2N7O/c1-29(39-28(42)37-20-10-12-30(33,34)13-11-20)14-16-40(17-15-29)26-24-27(36-18-35-26)41(21-8-6-19(31)7-9-21)25(38-24)22-4-2-3-5-23(22)32/h2-9,18,20H,10-17H2,1H3,(H2,37,39,42) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516243
(CHEMBL4450343)Show SMILES FC1(F)CCC(CC1)NC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H29Cl2F2N7O/c30-18-5-7-21(8-6-18)40-25(22-3-1-2-4-23(22)31)38-24-26(34-17-35-27(24)40)39-15-11-20(12-16-39)37-28(41)36-19-9-13-29(32,33)14-10-19/h1-8,17,19-20H,9-16H2,(H2,36,37,41) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516254
(CHEMBL4436064)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)NCC1CCCC1)-c1ccccc1Cl Show InChI InChI=1S/C29H31Cl2N7O/c30-20-9-11-22(12-10-20)38-26(23-7-3-4-8-24(23)31)36-25-27(33-18-34-28(25)38)37-15-13-21(14-16-37)35-29(39)32-17-19-5-1-2-6-19/h3-4,7-12,18-19,21H,1-2,5-6,13-17H2,(H2,32,35,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516258
(CHEMBL4570109)Show SMILES Fc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C29H24Cl2FN7O/c30-18-5-11-22(12-6-18)39-26(23-3-1-2-4-24(23)31)37-25-27(33-17-34-28(25)39)38-15-13-21(14-16-38)36-29(40)35-20-9-7-19(32)8-10-20/h1-12,17,21H,13-16H2,(H2,35,36,40) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516235
(CHEMBL4563408)Show SMILES FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1 Show InChI InChI=1S/C29H24Cl2F2N8O2/c30-17-5-8-20(9-6-17)41-25(21-3-1-2-4-22(21)31)39-24-26(35-16-36-27(24)41)40-13-11-18(12-14-40)37-29(42)38-19-7-10-23(34-15-19)43-28(32)33/h1-10,15-16,18,28H,11-14H2,(H2,37,38,42) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516255
(CHEMBL4552147)Show SMILES FC1(F)CCC(CNC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C30H31Cl2F2N7O/c31-20-5-7-22(8-6-20)41-26(23-3-1-2-4-24(23)32)39-25-27(36-18-37-28(25)41)40-15-11-21(12-16-40)38-29(42)35-17-19-9-13-30(33,34)14-10-19/h1-8,18-19,21H,9-17H2,(H2,35,38,42) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302924
(2-(tert-Butylamino)-3',4'-dichloropentanophenone |...)Show InChI InChI=1S/C15H21Cl2NO/c1-5-6-13(18-15(2,3)4)14(19)10-7-8-11(16)12(17)9-10/h7-9,13,18H,5-6H2,1-4H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 43.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516259
(CHEMBL4521215)Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1 Show InChI InChI=1S/C29H23Cl2F3N8O/c30-17-5-8-20(9-6-17)42-25(21-3-1-2-4-22(21)31)40-24-26(36-16-37-27(24)42)41-13-11-18(12-14-41)38-28(43)39-19-7-10-23(35-15-19)29(32,33)34/h1-10,15-16,18H,11-14H2,(H2,38,39,43) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Relaxin-3 receptor 1
(Homo sapiens (Human)) | BDBM50581019
(CHEMBL5089949)Show SMILES COC(=O)c1ccc(CCNC(=N)N\N=C\c2c[nH]c3c(C)cc(cc23)C#N)cc1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]R3/I5 from human RXFP3 expressed in human CHO-K1 cells incubated for 1 hr by microplate scintillation counting analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01081
BindingDB Entry DOI: 10.7270/Q2ZK5MJP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516247
(CHEMBL4440543)Show SMILES CC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)NC(=O)Nc1ccc(OC(F)F)nc1 Show InChI InChI=1S/C30H26Cl2F2N8O2/c1-30(40-29(43)38-19-8-11-23(35-16-19)44-28(33)34)12-14-41(15-13-30)26-24-27(37-17-36-26)42(20-9-6-18(31)7-10-20)25(39-24)21-4-2-3-5-22(21)32/h2-11,16-17,28H,12-15H2,1H3,(H2,38,40,43) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302927
(2-(N-tert-Butylamino)-3'-chloropentanophenone | 2-...)Show InChI InChI=1S/C15H22ClNO/c1-5-7-13(17-15(2,3)4)14(18)11-8-6-9-12(16)10-11/h6,8-10,13,17H,5,7H2,1-4H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516248
(CHEMBL4464256)Show SMILES CC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)NC(=O)NS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C30H26Cl2FN7O3S/c1-30(37-29(41)38-44(42,43)24-9-5-4-8-23(24)33)14-16-39(17-15-30)27-25-28(35-18-34-27)40(20-12-10-19(31)11-13-20)26(36-25)21-6-2-3-7-22(21)32/h2-13,18H,14-17H2,1H3,(H2,37,38,41) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302913
(2-(N-tert-Butylamino)-3'-chlorophenyl-4-methylpent...)Show InChI InChI=1S/C16H24ClNO/c1-11(2)9-14(18-16(3,4)5)15(19)12-7-6-8-13(17)10-12/h6-8,10-11,14,18H,9H2,1-5H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 88
(Homo sapiens (Human)) | BDBM50064751
(CHEMBL3403780)Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CN)NC(=O)[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C23H32N2O2/c1-4-8-17(2)16-27-21-13-11-20(12-14-21)22(15-24)25-23(26)18(3)19-9-6-5-7-10-19/h5-7,9-14,17-18,22H,4,8,15-16,24H2,1-3H3,(H,25,26)/t17?,18-,22-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 219 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50516260
(CHEMBL4534007)Show SMILES Fc1ccccc1CNC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H26Cl2FN7O/c31-20-9-11-22(12-10-20)40-27(23-6-2-3-7-24(23)32)38-26-28(35-18-36-29(26)40)39-15-13-21(14-16-39)37-30(41)34-17-19-5-1-4-8-25(19)33/h1-12,18,21H,13-17H2,(H2,34,37,41) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 88
(Homo sapiens (Human)) | BDBM50554975
(CHEMBL4595209)Show SMILES COCc1ccc(cc1)-c1ccc(cc1)N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]1C[C@H]1c1ccccn1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| | 224 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Relaxin-3 receptor 1
(Homo sapiens (Human)) | BDBM50581009
(CHEMBL5094670)Show SMILES COc1cc(C)c2[nH]cc(\C=N\NC(=N)NCCc3ccc(cc3)C#N)c2c1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 268 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]R3/I5 from human RXFP3 expressed in human CHO-K1 cells incubated for 1 hr by microplate scintillation counting analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01081
BindingDB Entry DOI: 10.7270/Q2ZK5MJP |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50084717
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 272 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this
Ligand-Target Pair | |
Relaxin-3 receptor 1
(Homo sapiens (Human)) | BDBM50526409
(CHEMBL4522365)Show SMILES CCc1cc(O)cc2c(\C=N\NC(=N)NCCc3ccc(Cl)cc3)c[nH]c12 Show InChI InChI=1S/C20H22ClN5O/c1-2-14-9-17(27)10-18-15(11-24-19(14)18)12-25-26-20(22)23-8-7-13-3-5-16(21)6-4-13/h3-6,9-12,24,27H,2,7-8H2,1H3,(H3,22,23,26)/b25-12+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 274 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]R3/I5 from human RXFP3 expressed in human CHO-K1 cells incubated for 1 hr by microplate scintillation counting analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01081
BindingDB Entry DOI: 10.7270/Q2ZK5MJP |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 88
(Homo sapiens (Human)) | BDBM50065915
(CHEMBL3401461)Show SMILES CCCc1ccc(cc1)-c1ccc(cc1)N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@@H]1C[C@H]1c1ccccn1 |r| Show InChI InChI=1S/C30H37N3O/c1-4-8-22-10-12-23(13-11-22)24-14-16-25(17-15-24)33(20-28(31)21(3)5-2)30(34)27-19-26(27)29-9-6-7-18-32-29/h6-7,9-18,21,26-28H,4-5,8,19-20,31H2,1-3H3/t21-,26+,27+,28+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
| 277 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302914
(2-(tert-Butylamino)-3',4'-dichlorobutyrophenone | ...)Show InChI InChI=1S/C14H19Cl2NO/c1-5-12(17-14(2,3)4)13(18)9-6-7-10(15)11(16)8-9/h6-8,12,17H,5H2,1-4H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 278 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302932
(1-(3-chlorophenyl)-2-(cyclobutylamino)propan-1-one...)Show InChI InChI=1S/C13H16ClNO/c1-9(15-12-6-3-7-12)13(16)10-4-2-5-11(14)8-10/h2,4-5,8-9,12,15H,3,6-7H2,1H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 343 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302931
(2-(N-tert-Butylamino)-3'-chlorohexanophenone | CHE...)Show InChI InChI=1S/C16H24ClNO/c1-5-6-10-14(18-16(2,3)4)15(19)12-8-7-9-13(17)11-12/h7-9,11,14,18H,5-6,10H2,1-4H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516241
(CHEMBL4554452)Show SMILES Fc1ccccc1S(=O)(=O)NC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H24Cl2FN7O3S/c30-18-9-11-20(12-10-18)39-26(21-5-1-2-6-22(21)31)36-25-27(33-17-34-28(25)39)38-15-13-19(14-16-38)35-29(40)37-43(41,42)24-8-4-3-7-23(24)32/h1-12,17,19H,13-16H2,(H2,35,37,40) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50516250
(CHEMBL4450173)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)N1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C28H29Cl2N7O/c29-19-8-10-21(11-9-19)37-25(22-6-2-3-7-23(22)30)34-24-26(31-18-32-27(24)37)35-16-12-20(13-17-35)33-28(38)36-14-4-1-5-15-36/h2-3,6-11,18,20H,1,4-5,12-17H2,(H,33,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50118105
(CHEMBL3613443)Show SMILES CC(C)[C@@H](CN1CCC(CC1)c1cccc(F)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C26H34FN3O2/c1-17(2)25(16-30-10-8-18(9-11-30)19-4-3-5-22(27)12-19)29-26(32)24-14-20-6-7-23(31)13-21(20)15-28-24/h3-7,12-13,17-18,24-25,28,31H,8-11,14-16H2,1-2H3,(H,29,32)/t24-,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 436 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-astemizole from human ERG |
Bioorg Med Chem 23: 6379-88 (2015)
Article DOI: 10.1016/j.bmc.2015.08.025
BindingDB Entry DOI: 10.7270/Q2C24Z7Z |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302929
(2-(N-tert-Butylamino)-3'-chlorobutyrophenone | 2-(...)Show InChI InChI=1S/C14H20ClNO/c1-5-12(16-14(2,3)4)13(17)10-7-6-8-11(15)9-10/h6-9,12,16H,5H2,1-4H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 459 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302918
(2-(N-tert-Butylamino)-3',4'-dichloropropiophenone ...)Show InChI InChI=1S/C13H17Cl2NO/c1-8(16-13(2,3)4)12(17)9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 472 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 88
(Homo sapiens (Human)) | BDBM50610306
(CHEMBL5285428)Show SMILES CCCc1ccc(cc1)-c1ccc(cc1)N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@H]1C[C@@H]1c1ccccn1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | 487 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302909
(2-(N-tert-Butylamino)-3'-chlorooctanophenone | CHE...)Show InChI InChI=1S/C18H28ClNO/c1-5-6-7-8-12-16(20-18(2,3)4)17(21)14-10-9-11-15(19)13-14/h9-11,13,16,20H,5-8,12H2,1-4H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this
Ligand-Target Pair | |
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