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SMILES: CCS(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1

InChI Key: InChIKey=RGOFVQWZORFHTD-UHFFFAOYSA-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 4 hits for monomerid = 50210214   
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210214
PNG
(1-(bis(2-chlorophenyl)methyl)-4-(2-((4-(ethylsulfo...)
Show SMILES CCS(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1
Show InChI InChI=1S/C31H37Cl2N3O3S/c1-2-40(38,39)36-21-19-34(20-22-36)23-24-9-3-6-12-27(24)31(37)15-17-35(18-16-31)30(25-10-4-7-13-28(25)32)26-11-5-8-14-29(26)33/h3-14,30,37H,2,15-23H2,1H3
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Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50210214
PNG
(1-(bis(2-chlorophenyl)methyl)-4-(2-((4-(ethylsulfo...)
Show SMILES CCS(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1
Show InChI InChI=1S/C31H37Cl2N3O3S/c1-2-40(38,39)36-21-19-34(20-22-36)23-24-9-3-6-12-27(24)31(37)15-17-35(18-16-31)30(25-10-4-7-13-28(25)32)26-11-5-8-14-29(26)33/h3-14,30,37H,2,15-23H2,1H3
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Article
PubMed
146n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50210214
PNG
(1-(bis(2-chlorophenyl)methyl)-4-(2-((4-(ethylsulfo...)
Show SMILES CCS(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1
Show InChI InChI=1S/C31H37Cl2N3O3S/c1-2-40(38,39)36-21-19-34(20-22-36)23-24-9-3-6-12-27(24)31(37)15-17-35(18-16-31)30(25-10-4-7-13-28(25)32)26-11-5-8-14-29(26)33/h3-14,30,37H,2,15-23H2,1H3
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Article
PubMed
351n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50210214
PNG
(1-(bis(2-chlorophenyl)methyl)-4-(2-((4-(ethylsulfo...)
Show SMILES CCS(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1
Show InChI InChI=1S/C31H37Cl2N3O3S/c1-2-40(38,39)36-21-19-34(20-22-36)23-24-9-3-6-12-27(24)31(37)15-17-35(18-16-31)30(25-10-4-7-13-28(25)32)26-11-5-8-14-29(26)33/h3-14,30,37H,2,15-23H2,1H3
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Article
PubMed
1.59E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
More data for this
Ligand-Target Pair