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BDBM50092587 3-(1,1-Dimethyl-butyl)-6,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid methyl ester::CHEMBL122268

SMILES: CCCC(C)(C)c1ccc-2c(OC(C)(C)c3ccc(cc-23)C(=O)OC)c1

InChI Key: InChIKey=HYKNQHOOVGEYON-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50092587   
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))
BDBM50092587
PNG
(3-(1,1-Dimethyl-butyl)-6,6-dimethyl-6H-benzo[c]chr...)
Show SMILES CCCC(C)(C)c1ccc-2c(OC(C)(C)c3ccc(cc-23)C(=O)OC)c1
Show InChI InChI=1S/C23H28O3/c1-7-12-22(2,3)16-9-10-17-18-13-15(21(24)25-6)8-11-19(18)23(4,5)26-20(17)14-16/h8-11,13-14H,7,12H2,1-6H3
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
611n/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)


BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50092587
PNG
(3-(1,1-Dimethyl-butyl)-6,6-dimethyl-6H-benzo[c]chr...)
Show SMILES CCCC(C)(C)c1ccc-2c(OC(C)(C)c3ccc(cc-23)C(=O)OC)c1
Show InChI InChI=1S/C23H28O3/c1-7-12-22(2,3)16-9-10-17-18-13-15(21(24)25-6)8-11-19(18)23(4,5)26-20(17)14-16/h8-11,13-14H,7,12H2,1-6H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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)


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