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BDBM50320200 7'-(2-chlorophenyl)-6'-(4-chlorophenyl)spiro[cyclohexane-1,2'-pyrano[2,3-b]pyridin]-4'(3'H)-one::CHEMBL1084557

SMILES: Clc1ccc(cc1)-c1cc2C(=O)CC3(CCCCC3)Oc2nc1-c1ccccc1Cl

InChI Key: InChIKey=YGMBRTXNNDMADZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50320200   
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))
BDBM50320200
PNG
(7'-(2-chlorophenyl)-6'-(4-chlorophenyl)spiro[cyclo...)
Show SMILES Clc1ccc(cc1)-c1cc2C(=O)CC3(CCCCC3)Oc2nc1-c1ccccc1Cl
Show InChI InChI=1S/C25H21Cl2NO2/c26-17-10-8-16(9-11-17)19-14-20-22(29)15-25(12-4-1-5-13-25)30-24(20)28-23(19)18-6-2-3-7-21(18)27/h2-3,6-11,14H,1,4-5,12-13,15H2
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PC cid
PC sid
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Article
PubMed
n/an/a 8.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320200
PNG
(7'-(2-chlorophenyl)-6'-(4-chlorophenyl)spiro[cyclo...)
Show SMILES Clc1ccc(cc1)-c1cc2C(=O)CC3(CCCCC3)Oc2nc1-c1ccccc1Cl
Show InChI InChI=1S/C25H21Cl2NO2/c26-17-10-8-16(9-11-17)19-14-20-22(29)15-25(12-4-1-5-13-25)30-24(20)28-23(19)18-6-2-3-7-21(18)27/h2-3,6-11,14H,1,4-5,12-13,15H2
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair