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4 similar compounds to monomer 163046

Compile data set for download or QSAR
Wt: 275.7
BDBM56479
Purchase
Wt: 291.7
BDBM163052
Wt: 332.6
BDBM163059
Wt: 291.7
BDBM163060

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 56479,163052,163059,163060   
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
Kallikrein 5


(Homo sapiens)
BDBM56479
PNG
(4-chloranyl-2-(4-methylphenyl)-5-(prop-2-enylamino...)
Show SMILES Cc1ccc(cc1)-n1ncc(NCC=C)c(Cl)c1=O
Show InChI InChI=1S/C14H14ClN3O/c1-3-8-16-12-9-17-18(14(19)13(12)15)11-6-4-10(2)5-7-11/h3-7,9,16H,1,8H2,2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM163052
PNG
(US9062004, 16)
Show SMILES CCCNc1cnn(-c2cc(C)cc(C)c2)c(=O)c1Cl
Show InChI InChI=1S/C15H18ClN3O/c1-4-5-17-13-9-18-19(15(20)14(13)16)12-7-10(2)6-11(3)8-12/h6-9,17H,4-5H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor co...


US Patent US9062004 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ64SM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM163059
PNG
(US9062004, 25)
Show SMILES CCCNc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1Cl
Show InChI InChI=1S/C13H12Cl3N3O/c1-2-3-17-11-7-18-19(13(20)12(11)16)10-5-8(14)4-9(15)6-10/h4-7,17H,2-3H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor co...


US Patent US9062004 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ64SM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM163060
PNG
(US9062004, 26 | US9670216, 26 4-Chloro-2-(2,5-dime...)
Show SMILES CCCNc1cnn(-c2cc(C)ccc2C)c(=O)c1Cl
Show InChI InChI=1S/C15H18ClN3O/c1-4-7-17-12-9-18-19(15(20)14(12)16)13-8-10(2)5-6-11(13)3/h5-6,8-9,17H,4,7H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.00E+4n/an/an/an/an/a25



ALLERGAN, INC.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 pmol/mg protein, receptor conce...


US Patent US9670216 (2017)


BindingDB Entry DOI: 10.7270/Q2V98674
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM163059
PNG
(US9062004, 25)
Show SMILES CCCNc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1Cl
Show InChI InChI=1S/C13H12Cl3N3O/c1-2-3-17-11-7-18-19(13(20)12(11)16)10-5-8(14)4-9(15)6-10/h4-7,17H,2-3H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor co...


US Patent US9062004 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ64SM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM163060
PNG
(US9062004, 26 | US9670216, 26 4-Chloro-2-(2,5-dime...)
Show SMILES CCCNc1cnn(-c2cc(C)ccc2C)c(=O)c1Cl
Show InChI InChI=1S/C15H18ClN3O/c1-4-7-17-12-9-18-19(15(20)14(12)16)13-8-10(2)5-6-11(13)3/h5-6,8-9,17H,4,7H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor co...


US Patent US9062004 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ64SM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM163052
PNG
(US9062004, 16)
Show SMILES CCCNc1cnn(-c2cc(C)cc(C)c2)c(=O)c1Cl
Show InChI InChI=1S/C15H18ClN3O/c1-4-5-17-13-9-18-19(15(20)14(13)16)12-7-10(2)6-11(3)8-12/h6-9,17H,4-5H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor co...


US Patent US9062004 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ64SM
More data for this
Ligand-Target Pair