new BindingDB logo
myBDB logout

BDBM50152112 CHEMBL3780792

SMILES: [H][C@@]12CC[C@](C)([C@@H](C1)NC(=O)c1nn(c-3c1Cc1cc(ccc-31)C1CC1)-c1ccc(Cl)cc1Cl)C2(C)C

InChI Key: InChIKey=XIUWBZFDKMJYGN-FSDCFXDZNA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 50152112   
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))
BDBM50152112
PNG
(CHEMBL3780792)
Show SMILES [H][C@@]12CC[C@](C)([C@@H](C1)NC(=O)c1nn(c-3c1Cc1cc(ccc-31)C1CC1)-c1ccc(Cl)cc1Cl)C2(C)C |r,TLB:8:6:34:2.3|
Show InChI InChI=1/C30H31Cl2N3O/c1-29(2)19-10-11-30(29,3)25(14-19)33-28(36)26-22-13-18-12-17(16-4-5-16)6-8-21(18)27(22)35(34-26)24-9-7-20(31)15-23(24)32/h6-9,12,15-16,19,25H,4-5,10-11,13-14H2,1-3H3,(H,33,36)/t19-,25-,30-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
38n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50152112
PNG
(CHEMBL3780792)
Show SMILES [H][C@@]12CC[C@](C)([C@@H](C1)NC(=O)c1nn(c-3c1Cc1cc(ccc-31)C1CC1)-c1ccc(Cl)cc1Cl)C2(C)C |r,TLB:8:6:34:2.3|
Show InChI InChI=1/C30H31Cl2N3O/c1-29(2)19-10-11-30(29,3)25(14-19)33-28(36)26-22-13-18-12-17(16-4-5-16)6-8-21(18)27(22)35(34-26)24-9-7-20(31)15-23(24)32/h6-9,12,15-16,19,25H,4-5,10-11,13-14H2,1-3H3,(H,33,36)/t19-,25-,30-/s2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
>4.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50152112
PNG
(CHEMBL3780792)
Show SMILES [H][C@@]12CC[C@](C)([C@@H](C1)NC(=O)c1nn(c-3c1Cc1cc(ccc-31)C1CC1)-c1ccc(Cl)cc1Cl)C2(C)C |r,TLB:8:6:34:2.3|
Show InChI InChI=1/C30H31Cl2N3O/c1-29(2)19-10-11-30(29,3)25(14-19)33-28(36)26-22-13-18-12-17(16-4-5-16)6-8-21(18)27(22)35(34-26)24-9-7-20(31)15-23(24)32/h6-9,12,15-16,19,25H,4-5,10-11,13-14H2,1-3H3,(H,33,36)/t19-,25-,30-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 27n/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Antagonist/inverse agonist activity at human CB2 receptors expressed in human Chem4 cell membrane incubated for 30 mins by [35S]GTPgammaS binding ass...


Eur J Med Chem 112: 66-80 (2016)


BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair