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BDBM286107 US10617673, Example 4a (2S,4'R)::US9517228, Example 4a (2S,4′R)::US9987253, Example 4a

SMILES: CC(C)[C@H](N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1C[C@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O

InChI Key: InChIKey=GTCSIQFTNPTSLO-ZEQRLZLVSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 286107   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM286107
PNG
(US10617673, Example 4a (2S,4'R) | US9517228, Examp...)
Show SMILES CC(C)[C@H](N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1C[C@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O
Show InChI InChI=1S/C27H27Cl2N5O3S/c1-17(2)24(26(30)35)31-27(33-38(36,37)22-14-12-21(29)13-15-22)34-16-23(18-6-4-3-5-7-18)25(32-34)19-8-10-20(28)11-9-19/h3-15,17,23-24H,16H2,1-2H3,(H2,30,35)(H,31,33)/t23-,24-/m0/s1
PDB

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UniProtKB/SwissProt
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antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Jenrin Discovery Inc

US Patent


Assay Description
Compound binding to CB1R was assessed in competition displacement assays using [3H]CP-55,940 as the radioligand and crude membranes from mouse brain....


US Patent US9517228 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BPD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM286107
PNG
(US10617673, Example 4a (2S,4'R) | US9517228, Examp...)
Show SMILES CC(C)[C@H](N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1C[C@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O
Show InChI InChI=1S/C27H27Cl2N5O3S/c1-17(2)24(26(30)35)31-27(33-38(36,37)22-14-12-21(29)13-15-22)34-16-23(18-6-4-3-5-7-18)25(32-34)19-8-10-20(28)11-9-19/h3-15,17,23-24H,16H2,1-2H3,(H2,30,35)(H,31,33)/t23-,24-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Jenrin Discovery, LLC

US Patent


Assay Description
Compound binding to CB1R was assessed in competition displacement assays using [3H]CP-55,940 as the radioligand and crude membranes from mouse brain....


US Patent US10617673 (2020)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM286107
PNG
(US10617673, Example 4a (2S,4'R) | US9517228, Examp...)
Show SMILES CC(C)[C@H](N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1C[C@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O
Show InChI InChI=1S/C27H27Cl2N5O3S/c1-17(2)24(26(30)35)31-27(33-38(36,37)22-14-12-21(29)13-15-22)34-16-23(18-6-4-3-5-7-18)25(32-34)19-8-10-20(28)11-9-19/h3-15,17,23-24H,16H2,1-2H3,(H2,30,35)(H,31,33)/t23-,24-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Jenrin Discovery Inc

US Patent


Assay Description
Compound binding to CB1R was assessed in competition displacement assays using [3H]CP-55,940 as the radioligand and crude membranes from mouse brain....


US Patent US9987253 (2018)


BindingDB Entry DOI: 10.7270/Q25T3NT6
More data for this
Ligand-Target Pair