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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 4049   
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))
BDBM4049
PNG
(US8530494, 111)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1C)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C33H41NO4/c1-21-6-4-5-7-24(21)19-37-20-25-17-31-12-13-33(25,36-3)30-32(31)14-15-34(18-22-8-9-22)27(31)16-23-10-11-26(35-2)29(38-30)28(23)32/h4-7,10-11,22,25,27,30H,8-9,12-20H2,1-3H3/t25-,27-,30-,31-,32+,33-/m1/s1
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PC cid
PC sid
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Similars

US Patent
0.0700n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4049
PNG
(US8530494, 111)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1C)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C33H41NO4/c1-21-6-4-5-7-24(21)19-37-20-25-17-31-12-13-33(25,36-3)30-32(31)14-15-34(18-22-8-9-22)27(31)16-23-10-11-26(35-2)29(38-30)28(23)32/h4-7,10-11,22,25,27,30H,8-9,12-20H2,1-3H3/t25-,27-,30-,31-,32+,33-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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

Similars

US Patent
1.55n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair