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BDBM50092593 3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid benzyl ester::CHEMBL442211

SMILES: CCCCCCC(C)(C)c1cc(OC)c-2c(OC(C)(C)c3ccc(cc-23)C(=O)OCc2ccccc2)c1

InChI Key: InChIKey=KUQRKDBYIGIDFZ-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50092593   
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))
BDBM50092593
PNG
(3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6-dimethyl-6H-...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c-2c(OC(C)(C)c3ccc(cc-23)C(=O)OCc2ccccc2)c1
Show InChI InChI=1S/C33H40O4/c1-7-8-9-13-18-32(2,3)25-20-28(35-6)30-26-19-24(31(34)36-22-23-14-11-10-12-15-23)16-17-27(26)33(4,5)37-29(30)21-25/h10-12,14-17,19-21H,7-9,13,18,22H2,1-6H3
PDB

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PC cid
PC sid
UniChem

Similars

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



Organix Inc

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50092593
PNG
(3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6-dimethyl-6H-...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c-2c(OC(C)(C)c3ccc(cc-23)C(=O)OCc2ccccc2)c1
Show InChI InChI=1S/C33H40O4/c1-7-8-9-13-18-32(2,3)25-20-28(35-6)30-26-19-24(31(34)36-22-23-14-11-10-12-15-23)16-17-27(26)33(4,5)37-29(30)21-25/h10-12,14-17,19-21H,7-9,13,18,22H2,1-6H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Organix Inc

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair