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BDBM50375378 CHEMBL258791

SMILES: CCN(CC)C(=O)c1ccc(CN2C[C@@H]3CC[C@H]([C@H]2CN3CC=C)c2ccccc2)cc1

InChI Key: InChIKey=NHSCFHJJYJIBGA-GMQQYTKMSA-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 = 50375378   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50375378
PNG
(CHEMBL258791)
Show SMILES CCN(CC)C(=O)c1ccc(CN2C[C@@H]3CC[C@H]([C@H]2CN3CC=C)c2ccccc2)cc1 |TLB:24:17:20.19:13.12,11:12:20.19:15.16.17,THB:21:20:13.12:15.16.17|
Show InChI InChI=1S/C28H37N3O/c1-4-18-30-21-27-26(23-10-8-7-9-11-23)17-16-25(30)20-31(27)19-22-12-14-24(15-13-22)28(32)29(5-2)6-3/h4,7-15,25-27H,1,5-6,16-21H2,2-3H3/t25-,26-,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-977 from human kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem 16: 2870-85 (2008)


Article DOI: 10.1016/j.bmc.2008.01.004
BindingDB Entry DOI: 10.7270/Q2416XXR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50375378
PNG
(CHEMBL258791)
Show SMILES CCN(CC)C(=O)c1ccc(CN2C[C@@H]3CC[C@H]([C@H]2CN3CC=C)c2ccccc2)cc1 |TLB:24:17:20.19:13.12,11:12:20.19:15.16.17,THB:21:20:13.12:15.16.17|
Show InChI InChI=1S/C28H37N3O/c1-4-18-30-21-27-26(23-10-8-7-9-11-23)17-16-25(30)20-31(27)19-22-12-14-24(15-13-22)28(32)29(5-2)6-3/h4,7-15,25-27H,1,5-6,16-21H2,2-3H3/t25-,26-,27+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.30E+3n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human mu opioid receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 2870-85 (2008)


Article DOI: 10.1016/j.bmc.2008.01.004
BindingDB Entry DOI: 10.7270/Q2416XXR
More data for this
Ligand-Target Pair