new BindingDB logo
myBDB logout

BDBM50244358 (6aR,10aR)-3-(2-(4-bromophenyl)propan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::3-[1-(4-Bromo-phenyl)-1-methyl-ethyl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::CHEMBL487463

SMILES: CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(Br)cc1

InChI Key: InChIKey=DABMUZCRXIBQMU-WOJBJXKFSA-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 = 50244358   
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))
BDBM50244358
PNG
((6aR,10aR)-3-(2-(4-bromophenyl)propan-2-yl)-6,6,9-...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(Br)cc1 |r,t:1|
Show InChI InChI=1S/C25H29BrO2/c1-15-6-11-20-19(12-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-9-18(26)10-8-16/h6-10,13-14,19-20,27H,11-12H2,1-5H3/t19-,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.54n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244358
PNG
((6aR,10aR)-3-(2-(4-bromophenyl)propan-2-yl)-6,6,9-...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(Br)cc1 |r,t:1|
Show InChI InChI=1S/C25H29BrO2/c1-15-6-11-20-19(12-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-9-18(26)10-8-16/h6-10,13-14,19-20,27H,11-12H2,1-5H3/t19-,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.54n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244358
PNG
((6aR,10aR)-3-(2-(4-bromophenyl)propan-2-yl)-6,6,9-...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(Br)cc1 |r,t:1|
Show InChI InChI=1S/C25H29BrO2/c1-15-6-11-20-19(12-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-9-18(26)10-8-16/h6-10,13-14,19-20,27H,11-12H2,1-5H3/t19-,20-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.03n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244358
PNG
((6aR,10aR)-3-(2-(4-bromophenyl)propan-2-yl)-6,6,9-...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(Br)cc1 |r,t:1|
Show InChI InChI=1S/C25H29BrO2/c1-15-6-11-20-19(12-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-9-18(26)10-8-16/h6-10,13-14,19-20,27H,11-12H2,1-5H3/t19-,20-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.03n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair