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BDBM50350160 CHEMBL1814467

SMILES: CCCCCn1c2ccc(cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)-c1ccco1

InChI Key: InChIKey=SHZJAELKZBRDDN-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 = 50350160   
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))
BDBM50350160
PNG
(CHEMBL1814467)
Show SMILES CCCCCn1c2ccc(cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)-c1ccco1 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C29H34N2O4/c1-2-3-4-9-31-23-8-7-21(24-6-5-10-35-24)14-22(23)26(32)25(28(31)34)27(33)30-29-15-18-11-19(16-29)13-20(12-18)17-29/h5-8,10,14,18-20,32H,2-4,9,11-13,15-17H2,1H3,(H,30,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Universita degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 54: 5444-53 (2011)


Article DOI: 10.1021/jm200476p
BindingDB Entry DOI: 10.7270/Q2M045S3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50350160
PNG
(CHEMBL1814467)
Show SMILES CCCCCn1c2ccc(cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)-c1ccco1 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C29H34N2O4/c1-2-3-4-9-31-23-8-7-21(24-6-5-10-35-24)14-22(23)26(32)25(28(31)34)27(33)30-29-15-18-11-19(16-29)13-20(12-18)17-29/h5-8,10,14,18-20,32H,2-4,9,11-13,15-17H2,1H3,(H,30,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
270n/an/an/an/an/an/an/an/a



Universita degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 54: 5444-53 (2011)


Article DOI: 10.1021/jm200476p
BindingDB Entry DOI: 10.7270/Q2M045S3
More data for this
Ligand-Target Pair