Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50005208 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)) | BDBM50488960
(CHEMBL2296777)Show SMILES Cc1c(nn(CCCCCCl)c1-c1ccccc1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:29:24:31:27.28.30,29:28:23.24.25:31,THB:27:26:23:29.28.30,27:28:23:25.26.31| Show InChI InChI=1S/C27H36ClN3O/c1-19-24(26(32)29-18-27-15-20-12-21(16-27)14-22(13-20)17-27)30-31(11-7-3-6-10-28)25(19)23-8-4-2-5-9-23/h2,4-5,8-9,20-22H,3,6-7,10-18H2,1H3,(H,29,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488960
(CHEMBL2296777)Show SMILES Cc1c(nn(CCCCCCl)c1-c1ccccc1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:29:24:31:27.28.30,29:28:23.24.25:31,THB:27:26:23:29.28.30,27:28:23:25.26.31| Show InChI InChI=1S/C27H36ClN3O/c1-19-24(26(32)29-18-27-15-20-12-21(16-27)14-22(13-20)17-27)30-31(11-7-3-6-10-28)25(19)23-8-4-2-5-9-23/h2,4-5,8-9,20-22H,3,6-7,10-18H2,1H3,(H,29,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488967
(CHEMBL2296781)Show SMILES OCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H22BrCl2N3O2/c24-15-8-6-14(7-9-15)22-18(13-30)21(23(31)27-17-4-2-1-3-5-17)28-29(22)20-11-10-16(25)12-19(20)26/h6-12,17,30H,1-5,13H2,(H,27,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488967
(CHEMBL2296781)Show SMILES OCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H22BrCl2N3O2/c24-15-8-6-14(7-9-15)22-18(13-30)21(23(31)27-17-4-2-1-3-5-17)28-29(22)20-11-10-16(25)12-19(20)26/h6-12,17,30H,1-5,13H2,(H,27,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
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
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
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
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488957
(CHEMBL2296784)Show SMILES Cc1c(nn(c1-c1ccccc1Br)-c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 |(21.45,-15.09,;22.34,-16.34,;23.89,-16.36,;24.34,-17.83,;23.08,-18.72,;21.85,-17.8,;20.39,-18.26,;20.05,-19.76,;18.59,-20.22,;17.45,-19.18,;17.79,-17.67,;19.26,-17.22,;19.6,-15.71,;23.06,-20.26,;21.72,-21.01,;21.69,-22.55,;23.02,-23.34,;23,-24.88,;24.37,-22.58,;24.38,-21.04,;25.72,-20.28,;24.81,-15.13,;24.2,-13.71,;26.34,-15.31,;26.95,-16.73,;26.01,-17.96,;26.61,-19.37,;28.14,-19.56,;29.07,-18.33,;28.47,-16.9,)| Show InChI InChI=1S/C21H19BrCl2N4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-28(18-7-6-14(23)12-17(18)24)20(13)15-4-2-3-5-16(15)22/h2-7,12H,8-11H2,1H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488957
(CHEMBL2296784)Show SMILES Cc1c(nn(c1-c1ccccc1Br)-c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 |(21.45,-15.09,;22.34,-16.34,;23.89,-16.36,;24.34,-17.83,;23.08,-18.72,;21.85,-17.8,;20.39,-18.26,;20.05,-19.76,;18.59,-20.22,;17.45,-19.18,;17.79,-17.67,;19.26,-17.22,;19.6,-15.71,;23.06,-20.26,;21.72,-21.01,;21.69,-22.55,;23.02,-23.34,;23,-24.88,;24.37,-22.58,;24.38,-21.04,;25.72,-20.28,;24.81,-15.13,;24.2,-13.71,;26.34,-15.31,;26.95,-16.73,;26.01,-17.96,;26.61,-19.37,;28.14,-19.56,;29.07,-18.33,;28.47,-16.9,)| Show InChI InChI=1S/C21H19BrCl2N4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-28(18-7-6-14(23)12-17(18)24)20(13)15-4-2-3-5-16(15)22/h2-7,12H,8-11H2,1H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50267372
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 Show InChI InChI=1S/C21H19Cl2IN4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-28(18-7-4-15(22)12-17(18)23)20(13)14-2-5-16(24)6-3-14/h2-7,12H,8-11H2,1H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50267372
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 Show InChI InChI=1S/C21H19Cl2IN4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-28(18-7-4-15(22)12-17(18)23)20(13)14-2-5-16(24)6-3-14/h2-7,12H,8-11H2,1H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488954
(CHEMBL2296786)Show SMILES COc1ccc(cc1)-c1c(F)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl2FN4O2/c1-31-16-8-5-14(6-9-16)21-19(25)20(22(30)27-28-11-3-2-4-12-28)26-29(21)18-10-7-15(23)13-17(18)24/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488954
(CHEMBL2296786)Show SMILES COc1ccc(cc1)-c1c(F)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl2FN4O2/c1-31-16-8-5-14(6-9-16)21-19(25)20(22(30)27-28-11-3-2-4-12-28)26-29(21)18-10-7-15(23)13-17(18)24/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488966
(CHEMBL2296782)Show SMILES Cc1c(nn(CCCCCCl)c1-c1ccccc1)C(=O)Nc1ccc(cc1)-c1ccsc1 Show InChI InChI=1S/C26H26ClN3OS/c1-19-24(26(31)28-23-12-10-20(11-13-23)22-14-17-32-18-22)29-30(16-7-3-6-15-27)25(19)21-8-4-2-5-9-21/h2,4-5,8-14,17-18H,3,6-7,15-16H2,1H3,(H,28,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488966
(CHEMBL2296782)Show SMILES Cc1c(nn(CCCCCCl)c1-c1ccccc1)C(=O)Nc1ccc(cc1)-c1ccsc1 Show InChI InChI=1S/C26H26ClN3OS/c1-19-24(26(31)28-23-12-10-20(11-13-23)22-14-17-32-18-22)29-30(16-7-3-6-15-27)25(19)21-8-4-2-5-9-21/h2,4-5,8-14,17-18H,3,6-7,15-16H2,1H3,(H,28,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488963
(CHEMBL2296783)Show SMILES CN(C(=O)c1nn(c(c1C)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)c1ccccc1 Show InChI InChI=1S/C24H18BrCl2N3O/c1-15-22(24(31)29(2)19-6-4-3-5-7-19)28-30(21-13-12-18(26)14-20(21)27)23(15)16-8-10-17(25)11-9-16/h3-14H,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488963
(CHEMBL2296783)Show SMILES CN(C(=O)c1nn(c(c1C)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)c1ccccc1 Show InChI InChI=1S/C24H18BrCl2N3O/c1-15-22(24(31)29(2)19-6-4-3-5-7-19)28-30(21-13-12-18(26)14-20(21)27)23(15)16-8-10-17(25)11-9-16/h3-14H,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488961
(CHEMBL2296779)Show SMILES Cc1c(NC(=O)N2CCCCC2)nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H21BrCl2N4O/c1-14-20(15-5-7-16(23)8-6-15)29(19-10-9-17(24)13-18(19)25)27-21(14)26-22(30)28-11-3-2-4-12-28/h5-10,13H,2-4,11-12H2,1H3,(H,26,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488961
(CHEMBL2296779)Show SMILES Cc1c(NC(=O)N2CCCCC2)nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H21BrCl2N4O/c1-14-20(15-5-7-16(23)8-6-15)29(19-10-9-17(24)13-18(19)25)27-21(14)26-22(30)28-11-3-2-4-12-28/h5-10,13H,2-4,11-12H2,1H3,(H,26,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50074324
(1,5-Bis-(4-chloro-phenyl)-4-methyl-1H-pyrazole-3-c...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-13-3-2-4-14-27)25-28(19-11-9-18(24)10-12-19)21(15)16-5-7-17(23)8-6-16/h5-12H,2-4,13-14H2,1H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50074324
(1,5-Bis-(4-chloro-phenyl)-4-methyl-1H-pyrazole-3-c...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-13-3-2-4-14-27)25-28(19-11-9-18(24)10-12-19)21(15)16-5-7-17(23)8-6-16/h5-12H,2-4,13-14H2,1H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488958
(CHEMBL2296780)Show SMILES [O-][N+](=O)c1ccc2-c3c(CCCc2c1)c(nn3-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C24H23Cl2N5O3/c25-16-7-10-21(20(26)14-16)30-23-18-9-8-17(31(33)34)13-15(18)5-4-6-19(23)22(27-30)24(32)28-29-11-2-1-3-12-29/h7-10,13-14H,1-6,11-12H2,(H,28,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488958
(CHEMBL2296780)Show SMILES [O-][N+](=O)c1ccc2-c3c(CCCc2c1)c(nn3-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C24H23Cl2N5O3/c25-16-7-10-21(20(26)14-16)30-23-18-9-8-17(31(33)34)13-15(18)5-4-6-19(23)22(27-30)24(32)28-29-11-2-1-3-12-29/h7-10,13-14H,1-6,11-12H2,(H,28,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50074314
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...)Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21BrCl2N4O/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
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50074314
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...)Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21BrCl2N4O/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
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50074310
(5-(4-Amino-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...)Show SMILES Cc1c(nn(c1-c1ccc(N)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H23Cl2N5O/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,2-4,11-12,25H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50110959
(5-(4-Bromo-phenyl)-4-methyl-1-pentyl-1H-pyrazole-3...)Show SMILES CCCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccc(Br)cc1 Show InChI InChI=1S/C21H29BrN4O/c1-3-4-6-15-26-20(17-9-11-18(22)12-10-17)16(2)19(23-26)21(27)24-25-13-7-5-8-14-25/h9-12H,3-8,13-15H2,1-2H3,(H,24,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50110959
(5-(4-Bromo-phenyl)-4-methyl-1-pentyl-1H-pyrazole-3...)Show SMILES CCCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccc(Br)cc1 Show InChI InChI=1S/C21H29BrN4O/c1-3-4-6-15-26-20(17-9-11-18(22)12-10-17)16(2)19(23-26)21(27)24-25-13-7-5-8-14-25/h9-12H,3-8,13-15H2,1-2H3,(H,24,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50074310
(5-(4-Amino-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...)Show SMILES Cc1c(nn(c1-c1ccc(N)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H23Cl2N5O/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,2-4,11-12,25H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488965
(CHEMBL2296774)Show SMILES [O-][N+](=O)c1cccc2-c3c(CCCc12)c(nn3-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C24H23Cl2N5O3/c25-15-10-11-21(19(26)14-15)30-23-17-7-5-9-20(31(33)34)16(17)6-4-8-18(23)22(27-30)24(32)28-29-12-2-1-3-13-29/h5,7,9-11,14H,1-4,6,8,12-13H2,(H,28,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488965
(CHEMBL2296774)Show SMILES [O-][N+](=O)c1cccc2-c3c(CCCc12)c(nn3-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C24H23Cl2N5O3/c25-15-10-11-21(19(26)14-15)30-23-17-7-5-9-20(31(33)34)16(17)6-4-8-18(23)22(27-30)24(32)28-29-12-2-1-3-13-29/h5,7,9-11,14H,1-4,6,8,12-13H2,(H,28,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50074309
(1-(2,4-Dichloro-phenyl)-4-methyl-5-phenyl-1H-pyraz...)Show SMILES Cc1c(nn(c1-c1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-12-6-3-7-13-27)25-28(19-11-10-17(23)14-18(19)24)21(15)16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 123 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50074309
(1-(2,4-Dichloro-phenyl)-4-methyl-5-phenyl-1H-pyraz...)Show SMILES Cc1c(nn(c1-c1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-12-6-3-7-13-27)25-28(19-11-10-17(23)14-18(19)24)21(15)16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 123 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50110946
(1-Heptyl-4-methyl-5-phenyl-1H-pyrazole-3-carboxyli...)Show InChI InChI=1S/C23H34N4O/c1-3-4-5-6-13-18-27-22(20-14-9-7-10-15-20)19(2)21(24-27)23(28)25-26-16-11-8-12-17-26/h7,9-10,14-15H,3-6,8,11-13,16-18H2,1-2H3,(H,25,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 203 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50110946
(1-Heptyl-4-methyl-5-phenyl-1H-pyrazole-3-carboxyli...)Show InChI InChI=1S/C23H34N4O/c1-3-4-5-6-13-18-27-22(20-14-9-7-10-15-20)19(2)21(24-27)23(28)25-26-16-11-8-12-17-26/h7,9-10,14-15H,3-6,8,11-13,16-18H2,1-2H3,(H,25,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 203 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488956
(CHEMBL2296785)Show SMILES COCc1c(nn(c1C1C2(C)CCC(C2)C1(C)C)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C28H37Cl2N3O2/c1-27(2)17-12-13-28(3,15-17)25(27)24-20(16-35-4)23(26(34)31-19-8-6-5-7-9-19)32-33(24)22-11-10-18(29)14-21(22)30/h10-11,14,17,19,25H,5-9,12-13,15-16H2,1-4H3,(H,31,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 241 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488956
(CHEMBL2296785)Show SMILES COCc1c(nn(c1C1C2(C)CCC(C2)C1(C)C)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C28H37Cl2N3O2/c1-27(2)17-12-13-28(3,15-17)25(27)24-20(16-35-4)23(26(34)31-19-8-6-5-7-9-19)32-33(24)22-11-10-18(29)14-21(22)30/h10-11,14,17,19,25H,5-9,12-13,15-16H2,1-4H3,(H,31,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 241 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488959
(CHEMBL2296775)Show InChI InChI=1S/C20H28N4O/c1-2-3-8-15-24-19(17-11-6-4-7-12-17)16-18(21-24)20(25)22-23-13-9-5-10-14-23/h4,6-7,11-12,16H,2-3,5,8-10,13-15H2,1H3,(H,22,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 256 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488959
(CHEMBL2296775)Show InChI InChI=1S/C20H28N4O/c1-2-3-8-15-24-19(17-11-6-4-7-12-17)16-18(21-24)20(25)22-23-13-9-5-10-14-23/h4,6-7,11-12,16H,2-3,5,8-10,13-15H2,1H3,(H,22,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 256 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488955
(CHEMBL2296776)Show InChI InChI=1S/C22H32N4O/c1-2-3-4-5-12-17-26-21(19-13-8-6-9-14-19)18-20(23-26)22(27)24-25-15-10-7-11-16-25/h6,8-9,13-14,18H,2-5,7,10-12,15-17H2,1H3,(H,24,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 327 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488955
(CHEMBL2296776)Show InChI InChI=1S/C22H32N4O/c1-2-3-4-5-12-17-26-21(19-13-8-6-9-14-19)18-20(23-26)22(27)24-25-15-10-7-11-16-25/h6,8-9,13-14,18H,2-5,7,10-12,15-17H2,1H3,(H,24,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 327 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50114677
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN Show InChI InChI=1S/C17H13Cl3N4O/c1-9-15(17(25)22-21)23-24(14-7-6-12(19)8-13(14)20)16(9)10-2-4-11(18)5-3-10/h2-8H,21H2,1H3,(H,22,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 374 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50114677
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN Show InChI InChI=1S/C17H13Cl3N4O/c1-9-15(17(25)22-21)23-24(14-7-6-12(19)8-13(14)20)16(9)10-2-4-11(18)5-3-10/h2-8H,21H2,1H3,(H,22,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 374 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488964
(CHEMBL2296787)Show SMILES Cc1c(nn(Cc2ccc(C)cc2)c1-c1ccc(Cl)c(C)c1)C(=O)NC1CC2CCC1(C)C2(C)C |TLB:24:25:28.29:32| Show InChI InChI=1S/C30H36ClN3O/c1-18-7-9-21(10-8-18)17-34-27(22-11-12-24(31)19(2)15-22)20(3)26(33-34)28(35)32-25-16-23-13-14-30(25,6)29(23,4)5/h7-12,15,23,25H,13-14,16-17H2,1-6H3,(H,32,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50488964
(CHEMBL2296787)Show SMILES Cc1c(nn(Cc2ccc(C)cc2)c1-c1ccc(Cl)c(C)c1)C(=O)NC1CC2CCC1(C)C2(C)C |TLB:24:25:28.29:32| Show InChI InChI=1S/C30H36ClN3O/c1-18-7-9-21(10-8-18)17-34-27(22-11-12-24(31)19(2)15-22)20(3)26(33-34)28(35)32-25-16-23-13-14-30(25,6)29(23,4)5/h7-12,15,23,25H,13-14,16-17H2,1-6H3,(H,32,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50110954
(1-Cyclohexyl-4-methyl-5-phenyl-1H-pyrazole-3-carbo...)Show SMILES Cc1c(nn(C2CCCCC2)c1-c1ccccc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H30N4O/c1-17-20(22(27)24-25-15-9-4-10-16-25)23-26(19-13-7-3-8-14-19)21(17)18-11-5-2-6-12-18/h2,5-6,11-12,19H,3-4,7-10,13-16H2,1H3,(H,24,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 605 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50110954
(1-Cyclohexyl-4-methyl-5-phenyl-1H-pyrazole-3-carbo...)Show SMILES Cc1c(nn(C2CCCCC2)c1-c1ccccc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H30N4O/c1-17-20(22(27)24-25-15-9-4-10-16-25)23-26(19-13-7-3-8-14-19)21(17)18-11-5-2-6-12-18/h2,5-6,11-12,19H,3-4,7-10,13-16H2,1H3,(H,24,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 605 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50074325
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...)Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCO Show InChI InChI=1S/C19H16BrCl2N3O2/c1-11-17(19(27)23-8-9-26)24-25(16-7-6-14(21)10-15(16)22)18(11)12-2-4-13(20)5-3-12/h2-7,10,26H,8-9H2,1H3,(H,23,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50074325
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...)Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCO Show InChI InChI=1S/C19H16BrCl2N3O2/c1-11-17(19(27)23-8-9-26)24-25(16-7-6-14(21)10-15(16)22)18(11)12-2-4-13(20)5-3-12/h2-7,10,26H,8-9H2,1H3,(H,23,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50110949
(4-Methyl-5-phenyl-1-propyl-1H-pyrazole-3-carboxyli...)Show InChI InChI=1S/C19H26N4O/c1-3-12-23-18(16-10-6-4-7-11-16)15(2)17(20-23)19(24)21-22-13-8-5-9-14-22/h4,6-7,10-11H,3,5,8-9,12-14H2,1-2H3,(H,21,24) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50110949
(4-Methyl-5-phenyl-1-propyl-1H-pyrazole-3-carboxyli...)Show InChI InChI=1S/C19H26N4O/c1-3-12-23-18(16-10-6-4-7-11-16)15(2)17(20-23)19(24)21-22-13-8-5-9-14-22/h4,6-7,10-11H,3,5,8-9,12-14H2,1-2H3,(H,21,24) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CB1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0418-y
BindingDB Entry DOI: 10.7270/Q2WS8X4M |
More data for this
Ligand-Target Pair | |
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