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BDBM50127360 CHEMBL290919::N-(4-{(R)-2-[({(S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioyl}-amino)-methyl]-pyrrolidin-1-ylmethyl}-phenyl)-acetamide

SMILES: CC(=O)Nc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1

InChI Key: InChIKey=RFMDABBQJCWFGN-IHLOFXLRSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50127360   
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))
BDBM50127360
PNG
(CHEMBL290919 | N-(4-{(R)-2-[({(S)-3-[(3-Phenyl-ure...)
Show SMILES CC(=O)Nc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C32H38N6O2S/c1-23(39)35-28-15-13-24(14-16-28)21-37-17-7-12-29(37)19-34-32(41)38-22-26-9-6-5-8-25(26)18-30(38)20-33-31(40)36-27-10-3-2-4-11-27/h2-6,8-11,13-16,29-30H,7,12,17-22H2,1H3,(H,34,41)(H,35,39)(H2,33,36,40)/t29-,30+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
10n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)


BindingDB Entry DOI: 10.7270/Q2377838
More data for this
Ligand-Target Pair