Found 18 hits Enz. Inhib. hit(s) with all data for entry = 5319 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
(Rattus norvegicus (rat)) | BDBM50067497
((2S,4S,4aS,6R,8aR)-4-[4-(1,1-Dimethyl-heptyl)-2-hy...)Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)C[C@H]3CC[C@@H](CO)C[C@H]23)c(O)c1 Show InChI InChI=1S/C26H42O3/c1-4-5-6-7-12-26(2,3)20-10-11-22(25(29)15-20)24-16-21(28)14-19-9-8-18(17-27)13-23(19)24/h10-11,15,18-19,21,23-24,27-29H,4-9,12-14,16-17H2,1-3H3/t18-,19-,21+,23+,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
Mol Pharmacol 60: 155-63 (2001)
BindingDB Entry DOI: 10.7270/Q27M06GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM21244
(2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1 Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1 | PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
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| PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
Mol Pharmacol 60: 155-63 (2001)
BindingDB Entry DOI: 10.7270/Q27M06GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50000727
((R)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-di...)Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |c:18| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
Mol Pharmacol 60: 155-63 (2001)
BindingDB Entry DOI: 10.7270/Q27M06GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM85803
((5Z,8Z,11Z,14Z)-N-(2-Fluoroethyl)-2-methyl-5,8,11,...)Show SMILES CCCCC\C=C\C\C=C\C\C=C\C\C=C\CCC(C)C(=O)NCCF Show InChI InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7+,11-10+,14-13+,17-16+ | PDB
Reactome pathway
KEGG
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| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
Mol Pharmacol 60: 155-63 (2001)
BindingDB Entry DOI: 10.7270/Q27M06GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM85804
(1-Naphthyl(1-butyl-1H-indole-3-yl)methanone | JWH-...)Show InChI InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3 | PDB
Reactome pathway
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| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
Mol Pharmacol 60: 155-63 (2001)
BindingDB Entry DOI: 10.7270/Q27M06GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
Reactome pathway
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
Mol Pharmacol 60: 155-63 (2001)
BindingDB Entry DOI: 10.7270/Q27M06GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50000729
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16?,17-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
Mol Pharmacol 60: 155-63 (2001)
BindingDB Entry DOI: 10.7270/Q27M06GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM85801
(2-dimethyl-anandamide | O-687)Show SMILES CCCCC\C=C\C\C=C\C\C=C\C\C=C\CCC(C)(C)C(=O)NCCO Show InChI InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(2,3)23(27)25-21-22-26/h8-9,11-12,14-15,17-18,26H,4-7,10,13,16,19-22H2,1-3H3,(H,25,27)/b9-8+,12-11+,15-14+,18-17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
Mol Pharmacol 60: 155-63 (2001)
BindingDB Entry DOI: 10.7270/Q27M06GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM85795
((5Z,8Z,11Z,14Z)-2-Methyl-N-(2-hydroxyethyl)-5,8,11...)Show SMILES CCCCC\C=C\C\C=C\C\C=C\C\C=C\CCC(C)C(=O)NCCO Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)24-20-21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7+,11-10+,14-13+,17-16+ | PDB
Reactome pathway
KEGG
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| KEGG
PC cid
PC sid
UniChem
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| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
Mol Pharmacol 60: 155-63 (2001)
BindingDB Entry DOI: 10.7270/Q27M06GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50080102
(CHEMBL71810 | JWH-030 | Naphthalen-1-yl-(1-pentyl-...)Show InChI InChI=1S/C20H21NO/c1-2-3-6-13-21-14-12-17(15-21)20(22)19-11-7-9-16-8-4-5-10-18(16)19/h4-5,7-12,14-15H,2-3,6,13H2,1H3 | PDB
Reactome pathway
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| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
Mol Pharmacol 60: 155-63 (2001)
BindingDB Entry DOI: 10.7270/Q27M06GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM22988
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15- | PDB
Reactome pathway
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CHEMBL
KEGG
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UniChem
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| PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
Mol Pharmacol 60: 155-63 (2001)
BindingDB Entry DOI: 10.7270/Q27M06GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM85797
((5Z,8Z,11Z,14Z)-N-(1-Methyl-2-hydroxyethyl)-5,8,11...)Show SMILES CCCCC\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)NC(C)CO Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7+,11-10+,14-13+,17-16+ | PDB
Reactome pathway
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| 137 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
Mol Pharmacol 60: 155-63 (2001)
BindingDB Entry DOI: 10.7270/Q27M06GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50061117
(6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol |...)Show InChI InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3 | PDB
Reactome pathway
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| 308 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
Mol Pharmacol 60: 155-63 (2001)
BindingDB Entry DOI: 10.7270/Q27M06GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM85798
(JWH-036)Show InChI InChI=1S/C22H25NO/c1-2-3-4-5-8-15-23-16-14-19(17-23)22(24)21-13-9-11-18-10-6-7-12-20(18)21/h6-7,9-14,16-17H,2-5,8,15H2,1H3 | PDB
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| PubMed
| 309 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
Mol Pharmacol 60: 155-63 (2001)
BindingDB Entry DOI: 10.7270/Q27M06GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM85796
(CAS_162934-74-9 | JWH-031)Show InChI InChI=1S/C21H23NO/c1-2-3-4-7-14-22-15-13-18(16-22)21(23)20-12-8-10-17-9-5-6-11-19(17)20/h5-6,8-13,15-16H,2-4,7,14H2,1H3 | PDB
Reactome pathway
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| 399 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
Mol Pharmacol 60: 155-63 (2001)
BindingDB Entry DOI: 10.7270/Q27M06GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM85800
(JWH-044)Show InChI InChI=1S/C16H13NO/c1-17-10-9-13(11-17)16(18)15-8-4-6-12-5-2-3-7-14(12)15/h2-11H,1H3 | PDB
Reactome pathway
KEGG
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AffyNet
| PC cid
PC sid
UniChem
Similars
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
Mol Pharmacol 60: 155-63 (2001)
BindingDB Entry DOI: 10.7270/Q27M06GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM85802
(JWH-032)Show InChI InChI=1S/C18H17NO/c1-2-11-19-12-10-15(13-19)18(20)17-9-5-7-14-6-3-4-8-16(14)17/h3-10,12-13H,2,11H2,1H3 | PDB
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
Mol Pharmacol 60: 155-63 (2001)
BindingDB Entry DOI: 10.7270/Q27M06GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM85799
(JWH-045)Show InChI InChI=1S/C17H15NO/c1-2-18-11-10-14(12-18)17(19)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,2H2,1H3 | PDB
Reactome pathway
KEGG
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| PC cid
PC sid
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
Mol Pharmacol 60: 155-63 (2001)
BindingDB Entry DOI: 10.7270/Q27M06GR |
More data for this
Ligand-Target Pair | |
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