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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Opioid receptor' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Opioid receptor


(Mus musculus-MOUSE-Mus musculus (Mouse))
BDBM50369571
PNG
(CHEMBL1790710)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C33H47N7O9/c1-18(2)13-24(31(47)39-26(17-41)29(35)45)38-32(48)25(15-20-7-5-4-6-8-20)37-27(44)16-36-33(49)28(19(3)42)40-30(46)23(34)14-21-9-11-22(43)12-10-21/h4-12,18-19,23-26,28,41-43H,13-17,34H2,1-3H3,(H2,35,45)(H,36,49)(H,37,44)(H,38,48)(H,39,47)(H,40,46)/t19-,23+,24+,25+,26+,28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 2.70n/an/an/an/an/an/a



University of Northern Colorado

Curated by ChEMBL


Assay Description
Opioid receptor activity was evaluated using mouse vas deferens (MVD) assay


J Med Chem 43: 2586-90 (2000)

More data for this
Ligand-Target Pair
Opioid receptor


(Mus musculus-MOUSE-Mus musculus (Mouse))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 258n/an/an/an/an/an/a



University of Northern Colorado

Curated by ChEMBL


Assay Description
Opioid receptor activity was evaluated using mouse vas deferens (MVD) assay


J Med Chem 43: 2586-90 (2000)

More data for this
Ligand-Target Pair