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BDBM50383395 CHEMBL2030747

SMILES: CN(C)c1ccc(NC(=O)NC2(CCN(CC2)C(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)c2ccccc2)cc1

InChI Key: InChIKey=ZMISFODKGOSBNR-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50383395   
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))
BDBM50383395
PNG
(CHEMBL2030747)
Show SMILES CN(C)c1ccc(NC(=O)NC2(CCN(CC2)C(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)c2ccccc2)cc1
Show InChI InChI=1S/C37H35Cl3N6O2/c1-24-33(43-46(32-18-13-28(39)23-31(32)40)34(24)25-9-11-27(38)12-10-25)35(47)45-21-19-37(20-22-45,26-7-5-4-6-8-26)42-36(48)41-29-14-16-30(17-15-29)44(2)3/h4-18,23H,19-22H2,1-3H3,(H2,41,42,48)
PDB

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PC cid
PC sid
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Similars

Article
PubMed
1.49E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50383395
PNG
(CHEMBL2030747)
Show SMILES CN(C)c1ccc(NC(=O)NC2(CCN(CC2)C(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)c2ccccc2)cc1
Show InChI InChI=1S/C37H35Cl3N6O2/c1-24-33(43-46(32-18-13-28(39)23-31(32)40)34(24)25-9-11-27(38)12-10-25)35(47)45-21-19-37(20-22-45,26-7-5-4-6-8-26)42-36(48)41-29-14-16-30(17-15-29)44(2)3/h4-18,23H,19-22H2,1-3H3,(H2,41,42,48)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.63E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair