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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50431839   
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


(Homo sapiens (Human))
BDBM50431839
PNG
(CHEMBL2347236)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1cccnc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-29(26)32(22,2)14-17-35(30)21-24-5-6-24)31(36)34-16-13-23-7-9-25(10-8-23)28-4-3-15-33-20-28/h3-4,7-12,15,18,20,22,24,30H,5-6,13-14,16-17,19,21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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Article
PubMed
0.0640n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50431839
PNG
(CHEMBL2347236)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1cccnc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-29(26)32(22,2)14-17-35(30)21-24-5-6-24)31(36)34-16-13-23-7-9-25(10-8-23)28-4-3-15-33-20-28/h3-4,7-12,15,18,20,22,24,30H,5-6,13-14,16-17,19,21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human kappa opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50431839
PNG
(CHEMBL2347236)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1cccnc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-29(26)32(22,2)14-17-35(30)21-24-5-6-24)31(36)34-16-13-23-7-9-25(10-8-23)28-4-3-15-33-20-28/h3-4,7-12,15,18,20,22,24,30H,5-6,13-14,16-17,19,21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
8.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human delta opioid receptor expressed in CHO cell membrane after 3 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair