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BDBM50389561 CHEMBL2064134

SMILES: CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(CC1)c1cnccn1

InChI Key: InChIKey=OFZGHURYMRAVDK-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 = 50389561   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50389561
PNG
(CHEMBL2064134)
Show SMILES CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(CC1)c1cnccn1
Show InChI InChI=1S/C22H28N6O2/c1-25(2)22(30)19-15-17-5-3-4-6-18(17)28(19)21(29)7-10-26-11-13-27(14-12-26)20-16-23-8-9-24-20/h3-6,8-9,16,19H,7,10-15H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
235n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant MOP receptor expressed in CHO-K1 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 55: 228-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.021
BindingDB Entry DOI: 10.7270/Q2TT4S1T
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50389561
PNG
(CHEMBL2064134)
Show SMILES CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(CC1)c1cnccn1
Show InChI InChI=1S/C22H28N6O2/c1-25(2)22(30)19-15-17-5-3-4-6-18(17)28(19)21(29)7-10-26-11-13-27(14-12-26)20-16-23-8-9-24-20/h3-6,8-9,16,19H,7,10-15H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>250n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant ORL1 receptor expressed in HEK293 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 55: 228-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.021
BindingDB Entry DOI: 10.7270/Q2TT4S1T
More data for this
Ligand-Target Pair