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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50009127'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Mu-type opioid receptor


(GUINEA PIG)		BDBM50009127
PNG
(bis(4-cyclopropylmethyl-12-oxa-4-azapentacyclo[9.6...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1sc2[C@@H]4Oc6c7c(CC8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |TLB:3:4:43:7.13.12,45:26:37:29.35.34,17:18:43:7.13.12,24:25:37:29.35.34|
Show InChI InChI=1S/C40H42N2O6S/c43-25-7-5-21-13-27-39(45)15-23-24-16-40(46)28-14-22-6-8-26(44)32-30(22)38(40,10-12-42(28)18-20-3-4-20)36(48-32)34(24)49-33(23)35-37(39,29(21)31(25)47-35)9-11-41(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,43-46H,1-4,9-18H2/t27?,28?,35-,36-,37-,38-,39+,40+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
 189n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity of compound was measured against Opioid receptor mu 1 on electrically stimulated guinea pig ileal longitudinal muscle myenteric plex...

J Med Chem 34: 1292-6 (1991)


BindingDB Entry DOI: 10.7270/Q2C53MF5
More data for this
Ligand-Target Pair