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BDBM50324652 4-Oxo-1-pentyl-6-pyrrol-1-yl-1,4-dihydro-quinoline-3-carboxylic acid adamantan-1-ylamide::CHEMBL1215955

SMILES: CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-n1cccc1

InChI Key: InChIKey=MGVPNNQPGPPABO-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50324652   
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))
BDBM50324652
PNG
(4-Oxo-1-pentyl-6-pyrrol-1-yl-1,4-dihydro-quinoline...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-n1cccc1 |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/C29H35N3O2/c1-2-3-4-11-32-19-25(27(33)24-15-23(7-8-26(24)32)31-9-5-6-10-31)28(34)30-29-16-20-12-21(17-29)14-22(13-20)18-29/h5-10,15,19-22H,2-4,11-14,16-18H2,1H3,(H,30,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.700n/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))
BDBM50324652
PNG
(4-Oxo-1-pentyl-6-pyrrol-1-yl-1,4-dihydro-quinoline...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-n1cccc1 |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/C29H35N3O2/c1-2-3-4-11-32-19-25(27(33)24-15-23(7-8-26(24)32)31-9-5-6-10-31)28(34)30-29-16-20-12-21(17-29)14-22(13-20)18-29/h5-10,15,19-22H,2-4,11-14,16-18H2,1H3,(H,30,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
29.7n/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