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BDBM50324653 CHEMBL1215963::N-(Adamantan-1-yl)-6-(1H-imidazol-1-yl)-4-oxo-1-pentyl-1,4-dihydroquinoline-3-carboxamide

SMILES: CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-n1ccnc1

InChI Key: InChIKey=GTCBSXYFQAQUGP-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50324653   
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))
BDBM50324653
PNG
(CHEMBL1215963 | N-(Adamantan-1-yl)-6-(1H-imidazol-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-n1ccnc1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C28H34N4O2/c1-2-3-4-8-31-17-24(26(33)23-13-22(5-6-25(23)31)32-9-7-29-18-32)27(34)30-28-14-19-10-20(15-28)12-21(11-19)16-28/h5-7,9,13,17-21H,2-4,8,10-12,14-16H2,1H3,(H,30,34)
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8n/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 in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324653
PNG
(CHEMBL1215963 | N-(Adamantan-1-yl)-6-(1H-imidazol-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-n1ccnc1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C28H34N4O2/c1-2-3-4-8-31-17-24(26(33)23-13-22(5-6-25(23)31)32-9-7-29-18-32)27(34)30-28-14-19-10-20(15-28)12-21(11-19)16-28/h5-7,9,13,17-21H,2-4,8,10-12,14-16H2,1H3,(H,30,34)
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8n/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))
BDBM50324653
PNG
(CHEMBL1215963 | N-(Adamantan-1-yl)-6-(1H-imidazol-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-n1ccnc1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C28H34N4O2/c1-2-3-4-8-31-17-24(26(33)23-13-22(5-6-25(23)31)32-9-7-29-18-32)27(34)30-28-14-19-10-20(15-28)12-21(11-19)16-28/h5-7,9,13,17-21H,2-4,8,10-12,14-16H2,1H3,(H,30,34)
PDB

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>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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324653
PNG
(CHEMBL1215963 | N-(Adamantan-1-yl)-6-(1H-imidazol-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-n1ccnc1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C28H34N4O2/c1-2-3-4-8-31-17-24(26(33)23-13-22(5-6-25(23)31)32-9-7-29-18-32)27(34)30-28-14-19-10-20(15-28)12-21(11-19)16-28/h5-7,9,13,17-21H,2-4,8,10-12,14-16H2,1H3,(H,30,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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 in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair