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BDBM86533 PhAR, epoxy

SMILES: CCCCCCC(CCC1OC1CCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1

InChI Key: InChIKey=ZBSLJOPZYHDJER-UHFFFAOYSA-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 = 86533   
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 2


(Homo sapiens (Human))
BDBM86533
PNG
(PhAR, epoxy)
Show SMILES CCCCCCC(CCC1OC1CCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49NO6/c1-3-4-5-11-16-28(40-34(38)24-26-14-9-8-10-15-26)20-22-31-30(41-31)17-12-6-7-13-18-33(37)35-25-27-19-21-29(36)32(23-27)39-2/h8-10,14-15,19,21,23,28,30-31,36H,3-7,11-13,16-18,20,22,24-25H2,1-2H3,(H,35,37)
PDB

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Article
PubMed
6.00E+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 1


(Homo sapiens (Human))
BDBM86533
PNG
(PhAR, epoxy)
Show SMILES CCCCCCC(CCC1OC1CCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49NO6/c1-3-4-5-11-16-28(40-34(38)24-26-14-9-8-10-15-26)20-22-31-30(41-31)17-12-6-7-13-18-33(37)35-25-27-19-21-29(36)32(23-27)39-2/h8-10,14-15,19,21,23,28,30-31,36H,3-7,11-13,16-18,20,22,24-25H2,1-2H3,(H,35,37)
PDB

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Article
PubMed
9.50E+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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM86533
PNG
(PhAR, epoxy)
Show SMILES CCCCCCC(CCC1OC1CCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49NO6/c1-3-4-5-11-16-28(40-34(38)24-26-14-9-8-10-15-26)20-22-31-30(41-31)17-12-6-7-13-18-33(37)35-25-27-19-21-29(36)32(23-27)39-2/h8-10,14-15,19,21,23,28,30-31,36H,3-7,11-13,16-18,20,22,24-25H2,1-2H3,(H,35,37)
PDB

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UniChem

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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
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM86533
PNG
(PhAR, epoxy)
Show SMILES CCCCCCC(CCC1OC1CCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49NO6/c1-3-4-5-11-16-28(40-34(38)24-26-14-9-8-10-15-26)20-22-31-30(41-31)17-12-6-7-13-18-33(37)35-25-27-19-21-29(36)32(23-27)39-2/h8-10,14-15,19,21,23,28,30-31,36H,3-7,11-13,16-18,20,22,24-25H2,1-2H3,(H,35,37)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
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