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BDBM50324645 6-(6-Methoxy-naphthalen-2-yl)-4-oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic acid adamantan-1-ylamide::CHEMBL1215899

SMILES: CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc2cc(OC)ccc2c1

InChI Key: InChIKey=RKQAKYKJKLZYRC-UHFFFAOYSA-N

Data: 2 KI

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 = 50324645   
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))
BDBM50324645
PNG
(6-(6-Methoxy-naphthalen-2-yl)-4-oxo-1-pentyl-1,4-d...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc2cc(OC)ccc2c1 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,14:15:19:13.12.18,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C36H40N2O3/c1-3-4-5-12-38-22-32(35(40)37-36-19-23-13-24(20-36)15-25(14-23)21-36)34(39)31-18-29(9-11-33(31)38)26-6-7-28-17-30(41-2)10-8-27(28)16-26/h6-11,16-18,22-25H,3-5,12-15,19-21H2,1-2H3,(H,37,40)
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
52.6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
BindingDB Entry DOI: 10.7270/Q2PC33BG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324645
PNG
(6-(6-Methoxy-naphthalen-2-yl)-4-oxo-1-pentyl-1,4-d...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc2cc(OC)ccc2c1 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,14:15:19:13.12.18,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C36H40N2O3/c1-3-4-5-12-38-22-32(35(40)37-36-19-23-13-24(20-36)15-25(14-23)21-36)34(39)31-18-29(9-11-33(31)38)26-6-7-28-17-30(41-2)10-8-27(28)16-26/h6-11,16-18,22-25H,3-5,12-15,19-21H2,1-2H3,(H,37,40)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
360n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
BindingDB Entry DOI: 10.7270/Q2PC33BG
More data for this
Ligand-Target Pair