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BDBM143616 US9682955, 8

SMILES: Oc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChI Key: InChIKey=GPJZHVCOLPLEEX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 143616   
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))
BDBM143616
PNG
(US9682955, 8)
Show SMILES Oc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H28Cl2N4O3S/c33-24-6-1-21(2-7-24)31(22-3-8-25(34)9-4-22)23-5-14-30-29(19-23)32(36-20-35-30)37-26-15-17-38(18-16-26)42(40,41)28-12-10-27(39)11-13-28/h1-14,19-20,26,31,39H,15-18H2,(H,35,36,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 248n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...


US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM143616
PNG
(US9682955, 8)
Show SMILES Oc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H28Cl2N4O3S/c33-24-6-1-21(2-7-24)31(22-3-8-25(34)9-4-22)23-5-14-30-29(19-23)32(36-20-35-30)37-26-15-17-38(18-16-26)42(40,41)28-12-10-27(39)11-13-28/h1-14,19-20,26,31,39H,15-18H2,(H,35,36,37)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 8n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...


US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair