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BDBM86534 Rinvanil, Benzoil

SMILES: CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)c1ccccc1

InChI Key: InChIKey=PBYCRTUWJSNPBV-GDLZYMKVSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 86534   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86534
PNG
(Rinvanil, Benzoil)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)c1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C33H47NO5/c1-3-4-5-15-20-29(39-33(37)28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-32(36)34-26-27-23-24-30(35)31(25-27)38-2/h10,12-14,16,18-19,23-25,29,35H,3-9,11,15,17,20-22,26H2,1-2H3,(H,34,36)/t29-/m1/s1
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Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86534
PNG
(Rinvanil, Benzoil)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)c1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C33H47NO5/c1-3-4-5-15-20-29(39-33(37)28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-32(36)34-26-27-23-24-30(35)31(25-27)38-2/h10,12-14,16,18-19,23-25,29,35H,3-9,11,15,17,20-22,26H2,1-2H3,(H,34,36)/t29-/m1/s1
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Article
PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM86534
PNG
(Rinvanil, Benzoil)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)c1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C33H47NO5/c1-3-4-5-15-20-29(39-33(37)28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-32(36)34-26-27-23-24-30(35)31(25-27)38-2/h10,12-14,16,18-19,23-25,29,35H,3-9,11,15,17,20-22,26H2,1-2H3,(H,34,36)/t29-/m1/s1
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM86534
PNG
(Rinvanil, Benzoil)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)c1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C33H47NO5/c1-3-4-5-15-20-29(39-33(37)28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-32(36)34-26-27-23-24-30(35)31(25-27)38-2/h10,12-14,16,18-19,23-25,29,35H,3-9,11,15,17,20-22,26H2,1-2H3,(H,34,36)/t29-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
BindingDB Entry DOI: 10.7270/Q2GB22NH
More data for this
Ligand-Target Pair