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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50430622   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50430622
PNG
(CHEMBL2338747)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:27.26:4.3|
Show InChI InChI=1S/C31H43NO4/c1-28(34,16-19-5-3-4-6-19)23-17-29-11-12-31(23,35-2)27-30(29)13-14-32(18-20-7-8-20)24(29)15-21-9-10-22(33)26(36-27)25(21)30/h9-10,19-20,23-24,27,33-34H,3-8,11-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0690n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human KOR expressed in CHO cells


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50430622
PNG
(CHEMBL2338747)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:27.26:4.3|
Show InChI InChI=1S/C31H43NO4/c1-28(34,16-19-5-3-4-6-19)23-17-29-11-12-31(23,35-2)27-30(29)13-14-32(18-20-7-8-20)24(29)15-21-9-10-22(33)26(36-27)25(21)30/h9-10,19-20,23-24,27,33-34H,3-8,11-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.290n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat recombinant MOR expressed in rat C6 cells after 2 hrs


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair