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BDBM259967 US9512132, 3

SMILES: CC(C)(C)c1nc(N2CC[C@H](O)C2)c2cnn(Cc3ccccc3Cl)c2n1

InChI Key: InChIKey=BNYCRWDNGITKDT-AWEZNQCLSA-N

Data: 4 EC50

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 = 259967   
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))
BDBM259967
PNG
(US9512132, 3)
Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2cnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C20H24ClN5O/c1-20(2,3)19-23-17(25-9-8-14(27)12-25)15-10-22-26(18(15)24-19)11-13-6-4-5-7-16(13)21/h4-7,10,14,27H,8-9,11-12H2,1-3H3/t14-/m0/s1
PDB

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n/an/an/an/a 5.10n/an/an/a37



Hoffmann-La Roche Inc

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9512132 (2016)


BindingDB Entry DOI: 10.7270/Q2P26X39
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM259967
PNG
(US9512132, 3)
Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2cnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C20H24ClN5O/c1-20(2,3)19-23-17(25-9-8-14(27)12-25)15-10-22-26(18(15)24-19)11-13-6-4-5-7-16(13)21/h4-7,10,14,27H,8-9,11-12H2,1-3H3/t14-/m0/s1
PDB

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n/an/an/an/a>1.00E+4n/an/an/a37



Hoffmann-La Roche Inc

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50,000 cells per well in a black 96 well plate with fl...


US Patent US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM259967
PNG
(US9512132, 3)
Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2cnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C20H24ClN5O/c1-20(2,3)19-23-17(25-9-8-14(27)12-25)15-10-22-26(18(15)24-19)11-13-6-4-5-7-16(13)21/h4-7,10,14,27H,8-9,11-12H2,1-3H3/t14-/m0/s1
PDB

Reactome pathway
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UniProtKB/SwissProt
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antibodypedia
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PC sid
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US Patent
n/an/an/an/a 5.10n/an/an/a37



Hoffmann-La Roche Inc

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50,000 cells per well in a black 96 well plate with fl...


US Patent US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM259967
PNG
(US9512132, 3)
Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2cnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C20H24ClN5O/c1-20(2,3)19-23-17(25-9-8-14(27)12-25)15-10-22-26(18(15)24-19)11-13-6-4-5-7-16(13)21/h4-7,10,14,27H,8-9,11-12H2,1-3H3/t14-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/a37



Hoffmann-La Roche Inc

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9512132 (2016)


BindingDB Entry DOI: 10.7270/Q2P26X39
More data for this
Ligand-Target Pair