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BDBM50210216 4-(2-(aminomethyl)phenyl)-1-(bis(3-fluorophenyl)methyl)piperidin-4-ol::CHEMBL400036

SMILES: NCc1ccccc1C1(O)CCN(CC1)C(c1cccc(F)c1)c1cccc(F)c1

InChI Key: InChIKey=OVMRKPFMLHSDOF-UHFFFAOYSA-N

Data: 4 KI

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 = 50210216   
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))
BDBM50210216
PNG
(4-(2-(aminomethyl)phenyl)-1-(bis(3-fluorophenyl)me...)
Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C25H26F2N2O/c26-21-8-3-6-18(15-21)24(19-7-4-9-22(27)16-19)29-13-11-25(30,12-14-29)23-10-2-1-5-20(23)17-28/h1-10,15-16,24,30H,11-14,17,28H2
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Article
PubMed
9.60n/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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50210216
PNG
(4-(2-(aminomethyl)phenyl)-1-(bis(3-fluorophenyl)me...)
Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C25H26F2N2O/c26-21-8-3-6-18(15-21)24(19-7-4-9-22(27)16-19)29-13-11-25(30,12-14-29)23-10-2-1-5-20(23)17-28/h1-10,15-16,24,30H,11-14,17,28H2
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Article
PubMed
616n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50210216
PNG
(4-(2-(aminomethyl)phenyl)-1-(bis(3-fluorophenyl)me...)
Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C25H26F2N2O/c26-21-8-3-6-18(15-21)24(19-7-4-9-22(27)16-19)29-13-11-25(30,12-14-29)23-10-2-1-5-20(23)17-28/h1-10,15-16,24,30H,11-14,17,28H2
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Article
PubMed
771n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50210216
PNG
(4-(2-(aminomethyl)phenyl)-1-(bis(3-fluorophenyl)me...)
Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C25H26F2N2O/c26-21-8-3-6-18(15-21)24(19-7-4-9-22(27)16-19)29-13-11-25(30,12-14-29)23-10-2-1-5-20(23)17-28/h1-10,15-16,24,30H,11-14,17,28H2
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Article
PubMed
9.38E+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