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BDBM50055081 CHEMBL3323517

SMILES: OC1CCN(C1)C1CCCC2C1N(CCN2Cc1cnc[nH]1)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=RIBPNVGFVDGCPR-UHFFFAOYNA-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 = 50055081   
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/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50055081
PNG
(CHEMBL3323517)
Show SMILES OC1CCN(C1)C1CCCC2C1N(CCN2Cc1cnc[nH]1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C24H31Cl2N5O2/c25-19-5-4-16(10-20(19)26)11-23(33)31-9-8-30(13-17-12-27-15-28-17)22-3-1-2-21(24(22)31)29-7-6-18(32)14-29/h4-5,10,12,15,18,21-22,24,32H,1-3,6-9,11,13-14H2,(H,27,28)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
49n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-977 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis


J Med Chem 57: 6845-60 (2014)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50055081
PNG
(CHEMBL3323517)
Show SMILES OC1CCN(C1)C1CCCC2C1N(CCN2Cc1cnc[nH]1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C24H31Cl2N5O2/c25-19-5-4-16(10-20(19)26)11-23(33)31-9-8-30(13-17-12-27-15-28-17)22-3-1-2-21(24(22)31)29-7-6-18(32)14-29/h4-5,10,12,15,18,21-22,24,32H,1-3,6-9,11,13-14H2,(H,27,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.40E+3n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from human mu opioid receptor expressed in CHO-K1 cells by scintillation counting analysis


J Med Chem 57: 6845-60 (2014)

More data for this
Ligand-Target Pair