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SMILES: [H][C@]12CN(Cc3ccccc3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23

InChI Key: InChIKey=RMSCVXDJUOMICG-SWBXKLIHSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50254130   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50254130
PNG
(CHEMBL4061334)
Show SMILES [H][C@]12CN(Cc3ccccc3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1|
Show InChI InChI=1S/C30H36N2O/c33-24-9-8-22-14-27-29-11-10-26-28(23(16-29)19-32(26)18-20-4-2-1-3-5-20)30(29,25(22)15-24)12-13-31(27)17-21-6-7-21/h1-5,8-9,15,21,23,26-28,33H,6-7,10-14,16-19H2/t23-,26?,27?,28?,29?,30?/m1/s1
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Article
PubMed
0.585n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes


Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50254130
PNG
(CHEMBL4061334)
Show SMILES [H][C@]12CN(Cc3ccccc3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1|
Show InChI InChI=1S/C30H36N2O/c33-24-9-8-22-14-27-29-11-10-26-28(23(16-29)19-32(26)18-20-4-2-1-3-5-20)30(29,25(22)15-24)12-13-31(27)17-21-6-7-21/h1-5,8-9,15,21,23,26-28,33H,6-7,10-14,16-19H2/t23-,26?,27?,28?,29?,30?/m1/s1
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PubMed
3.40n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes


Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50254130
PNG
(CHEMBL4061334)
Show SMILES [H][C@]12CN(Cc3ccccc3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1|
Show InChI InChI=1S/C30H36N2O/c33-24-9-8-22-14-27-29-11-10-26-28(23(16-29)19-32(26)18-20-4-2-1-3-5-20)30(29,25(22)15-24)12-13-31(27)17-21-6-7-21/h1-5,8-9,15,21,23,26-28,33H,6-7,10-14,16-19H2/t23-,26?,27?,28?,29?,30?/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes


Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50254130
PNG
(CHEMBL4061334)
Show SMILES [H][C@]12CN(Cc3ccccc3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1|
Show InChI InChI=1S/C30H36N2O/c33-24-9-8-22-14-27-29-11-10-26-28(23(16-29)19-32(26)18-20-4-2-1-3-5-20)30(29,25(22)15-24)12-13-31(27)17-21-6-7-21/h1-5,8-9,15,21,23,26-28,33H,6-7,10-14,16-19H2/t23-,26?,27?,28?,29?,30?/m1/s1
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Article
PubMed
n/an/an/an/a 0.420n/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes


Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50254130
PNG
(CHEMBL4061334)
Show SMILES [H][C@]12CN(Cc3ccccc3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1|
Show InChI InChI=1S/C30H36N2O/c33-24-9-8-22-14-27-29-11-10-26-28(23(16-29)19-32(26)18-20-4-2-1-3-5-20)30(29,25(22)15-24)12-13-31(27)17-21-6-7-21/h1-5,8-9,15,21,23,26-28,33H,6-7,10-14,16-19H2/t23-,26?,27?,28?,29?,30?/m1/s1
PDB

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Article
PubMed
n/an/an/an/a 4.5n/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant KOR expressed in CHO cells assessed as cAMP accumulation


Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK
More data for this
Ligand-Target Pair