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SMILES: Clc1ccc(cc1)C(c1ccc(Cl)cc1)c1ccc2ncnc(NC3CCN(CC3)c3ncccn3)c2c1

InChI Key: InChIKey=NTFFINIQPLPSNO-UHFFFAOYSA-N

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 = 143485   
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))
BDBM143485
PNG
(US9682955, 139)
Show SMILES Clc1ccc(cc1)C(c1ccc(Cl)cc1)c1ccc2ncnc(NC3CCN(CC3)c3ncccn3)c2c1
Show InChI InChI=1S/C30H26Cl2N6/c31-23-7-2-20(3-8-23)28(21-4-9-24(32)10-5-21)22-6-11-27-26(18-22)29(36-19-35-27)37-25-12-16-38(17-13-25)30-33-14-1-15-34-30/h1-11,14-15,18-19,25,28H,12-13,16-17H2,(H,35,36,37)
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 771n/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))
BDBM143485
PNG
(US9682955, 139)
Show SMILES Clc1ccc(cc1)C(c1ccc(Cl)cc1)c1ccc2ncnc(NC3CCN(CC3)c3ncccn3)c2c1
Show InChI InChI=1S/C30H26Cl2N6/c31-23-7-2-20(3-8-23)28(21-4-9-24(32)10-5-21)22-6-11-27-26(18-22)29(36-19-35-27)37-25-12-16-38(17-13-25)30-33-14-1-15-34-30/h1-11,14-15,18-19,25,28H,12-13,16-17H2,(H,35,36,37)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2n/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