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BDBM29063 lactam-based compound, 12b

SMILES: CCN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O

InChI Key: InChIKey=QOWZWLUZYDFLKV-UHFFFAOYSA-N

Data: 2 KI  1 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 = 29063   
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 1


(Homo sapiens (Human))
BDBM29063
PNG
(lactam-based compound, 12b)
Show SMILES CCN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C20H17Cl2N3O/c1-2-24-12-11-15-18(20(24)26)23-25(17-6-4-3-5-16(17)22)19(15)13-7-9-14(21)10-8-13/h3-10H,2,11-12H2,1H3
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Similars

Article
PubMed
4.70 -11.5n/an/a 25n/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29063
PNG
(lactam-based compound, 12b)
Show SMILES CCN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C20H17Cl2N3O/c1-2-24-12-11-15-18(20(24)26)23-25(17-6-4-3-5-16(17)22)19(15)13-7-9-14(21)10-8-13/h3-10H,2,11-12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.34E+4n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair