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BDBM50324651 (E)-N-(Adamantan-1-yl)-4-oxo-1-pentyl-6-styryl-1,4-dihydroquinoline-3-carboxamide::CHEMBL1215954

SMILES: CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(\C=C\c3ccccc3)ccc12

InChI Key: InChIKey=DWXOHINHQVCIGG-ZHACJKMWSA-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 = 50324651   
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))
BDBM50324651
PNG
((E)-N-(Adamantan-1-yl)-4-oxo-1-pentyl-6-styryl-1,4...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(\C=C\c3ccccc3)ccc12 |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/C33H38N2O2/c1-2-3-7-14-35-22-29(32(37)34-33-19-25-15-26(20-33)17-27(16-25)21-33)31(36)28-18-24(12-13-30(28)35)11-10-23-8-5-4-6-9-23/h4-6,8-13,18,22,25-27H,2-3,7,14-17,19-21H2,1H3,(H,34,37)/b11-10+
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
65.4n/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))
BDBM50324651
PNG
((E)-N-(Adamantan-1-yl)-4-oxo-1-pentyl-6-styryl-1,4...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(\C=C\c3ccccc3)ccc12 |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/C33H38N2O2/c1-2-3-7-14-35-22-29(32(37)34-33-19-25-15-26(20-33)17-27(16-25)21-33)31(36)28-18-24(12-13-30(28)35)11-10-23-8-5-4-6-9-23/h4-6,8-13,18,22,25-27H,2-3,7,14-17,19-21H2,1H3,(H,34,37)/b11-10+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/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