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BDBM50169950 (6aR,10aR)-3-Adamantan-1-ylmethyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::AM-729::CHEMBL480107

SMILES: CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC34CC5CC(CC(C5)C3)C4)cc1OC2(C)C

InChI Key: InChIKey=VDJBGWTWCFAPCD-SFDMKYNQSA-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 = 50169950   
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))
BDBM50169950
PNG
((6aR,10aR)-3-Adamantan-1-ylmethyl-6,6,9-trimethyl-...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC34CC5CC(CC(C5)C3)C4)cc1OC2(C)C |r,t:1,TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Show InChI InChI=1S/C27H36O2/c1-16-4-5-22-21(6-16)25-23(28)10-20(11-24(25)29-26(22,2)3)15-27-12-17-7-18(13-27)9-19(8-17)14-27/h4,10-11,17-19,21-22,28H,5-9,12-15H2,1-3H3/t17?,18?,19?,21-,22-,27?/m1/s1
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26.9n/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 2


(MOUSE)
BDBM50169950
PNG
((6aR,10aR)-3-Adamantan-1-ylmethyl-6,6,9-trimethyl-...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC34CC5CC(CC(C5)C3)C4)cc1OC2(C)C |r,t:1,TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Show InChI InChI=1S/C27H36O2/c1-16-4-5-22-21(6-16)25-23(28)10-20(11-24(25)29-26(22,2)3)15-27-12-17-7-18(13-27)9-19(8-17)14-27/h4,10-11,17-19,21-22,28H,5-9,12-15H2,1-3H3/t17?,18?,19?,21-,22-,27?/m1/s1
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26.9n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]CP-55,940 binding to cannabinoid receptor 2 of mouse spleen membranes


J Med Chem 48: 4576-85 (2005)


Article DOI: 10.1021/jm058175c
BindingDB Entry DOI: 10.7270/Q20K283W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50169950
PNG
((6aR,10aR)-3-Adamantan-1-ylmethyl-6,6,9-trimethyl-...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC34CC5CC(CC(C5)C3)C4)cc1OC2(C)C |r,t:1,TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Show InChI InChI=1S/C27H36O2/c1-16-4-5-22-21(6-16)25-23(28)10-20(11-24(25)29-26(22,2)3)15-27-12-17-7-18(13-27)9-19(8-17)14-27/h4,10-11,17-19,21-22,28H,5-9,12-15H2,1-3H3/t17?,18?,19?,21-,22-,27?/m1/s1
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29.3n/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


(Rattus norvegicus (rat))
BDBM50169950
PNG
((6aR,10aR)-3-Adamantan-1-ylmethyl-6,6,9-trimethyl-...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC34CC5CC(CC(C5)C3)C4)cc1OC2(C)C |r,t:1,TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Show InChI InChI=1S/C27H36O2/c1-16-4-5-22-21(6-16)25-23(28)10-20(11-24(25)29-26(22,2)3)15-27-12-17-7-18(13-27)9-19(8-17)14-27/h4,10-11,17-19,21-22,28H,5-9,12-15H2,1-3H3/t17?,18?,19?,21-,22-,27?/m1/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
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29.3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]CP-55,940 binding to cannabinoid receptor 1 of rat brain


J Med Chem 48: 4576-85 (2005)


Article DOI: 10.1021/jm058175c
BindingDB Entry DOI: 10.7270/Q20K283W
More data for this
Ligand-Target Pair