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BDBM50420895 CHEMBL2087105

SMILES: Oc1ccc(cc1)-c1ccc2n(CC=C)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1

InChI Key: InChIKey=SLQDUXPNRLHRBC-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 = 50420895   
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))
BDBM50420895
PNG
(CHEMBL2087105)
Show SMILES Oc1ccc(cc1)-c1ccc2n(CC=C)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1 |THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
Show InChI InChI=1S/C28H30N2O2/c1-2-9-30-17-25(24-13-22(5-8-26(24)30)21-3-6-23(31)7-4-21)27(32)29-28-14-18-10-19(15-28)12-20(11-18)16-28/h2-8,13,17-20,31H,1,9-12,14-16H2,(H,29,32)
PDB

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KEGG

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UniProtKB/TrEMBL

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
BindingDB Entry DOI: 10.7270/Q2K64KCF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420895
PNG
(CHEMBL2087105)
Show SMILES Oc1ccc(cc1)-c1ccc2n(CC=C)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1 |THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
Show InChI InChI=1S/C28H30N2O2/c1-2-9-30-17-25(24-13-22(5-8-26(24)30)21-3-6-23(31)7-4-21)27(32)29-28-14-18-10-19(15-28)12-20(11-18)16-28/h2-8,13,17-20,31H,1,9-12,14-16H2,(H,29,32)
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-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
BindingDB Entry DOI: 10.7270/Q2K64KCF
More data for this
Ligand-Target Pair