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BDBM143542 US9682955, 77

SMILES: OC(=O)Cc1ccc(cc1)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChI Key: InChIKey=LHIPTDREUDDNDD-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 = 143542   
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))
BDBM143542
PNG
(US9682955, 77)
Show SMILES OC(=O)Cc1ccc(cc1)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H30Cl2N4O2/c35-26-8-3-23(4-9-26)33(24-5-10-27(36)11-6-24)25-7-14-31-30(20-25)34(38-21-37-31)39-28-15-17-40(18-16-28)29-12-1-22(2-13-29)19-32(41)42/h1-14,20-21,28,33H,15-19H2,(H,41,42)(H,37,38,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.29E+3n/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))
BDBM143542
PNG
(US9682955, 77)
Show SMILES OC(=O)Cc1ccc(cc1)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H30Cl2N4O2/c35-26-8-3-23(4-9-26)33(24-5-10-27(36)11-6-24)25-7-14-31-30(20-25)34(38-21-37-31)39-28-15-17-40(18-16-28)29-12-1-22(2-13-29)19-32(41)42/h1-14,20-21,28,33H,15-19H2,(H,41,42)(H,37,38,39)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 297n/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