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BDBM50210221 1-(bis(2-chlorophenyl)methyl)-4-(2-(piperazin-1-ylmethyl)phenyl)piperidin-4-ol::CHEMBL232075

SMILES: OC1(CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1CN1CCNCC1

InChI Key: InChIKey=ROLCHVRRPRQQIU-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 = 50210221   
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))
BDBM50210221
PNG
(1-(bis(2-chlorophenyl)methyl)-4-(2-(piperazin-1-yl...)
Show SMILES OC1(CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1CN1CCNCC1
Show InChI InChI=1S/C29H33Cl2N3O/c30-26-11-5-2-8-23(26)28(24-9-3-6-12-27(24)31)34-17-13-29(35,14-18-34)25-10-4-1-7-22(25)21-33-19-15-32-16-20-33/h1-12,28,32,35H,13-21H2
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Article
PubMed
1.90n/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))
BDBM50210221
PNG
(1-(bis(2-chlorophenyl)methyl)-4-(2-(piperazin-1-yl...)
Show SMILES OC1(CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1CN1CCNCC1
Show InChI InChI=1S/C29H33Cl2N3O/c30-26-11-5-2-8-23(26)28(24-9-3-6-12-27(24)31)34-17-13-29(35,14-18-34)25-10-4-1-7-22(25)21-33-19-15-32-16-20-33/h1-12,28,32,35H,13-21H2
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Article
PubMed
145n/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))
BDBM50210221
PNG
(1-(bis(2-chlorophenyl)methyl)-4-(2-(piperazin-1-yl...)
Show SMILES OC1(CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1CN1CCNCC1
Show InChI InChI=1S/C29H33Cl2N3O/c30-26-11-5-2-8-23(26)28(24-9-3-6-12-27(24)31)34-17-13-29(35,14-18-34)25-10-4-1-7-22(25)21-33-19-15-32-16-20-33/h1-12,28,32,35H,13-21H2
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Article
PubMed
261n/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))
BDBM50210221
PNG
(1-(bis(2-chlorophenyl)methyl)-4-(2-(piperazin-1-yl...)
Show SMILES OC1(CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1CN1CCNCC1
Show InChI InChI=1S/C29H33Cl2N3O/c30-26-11-5-2-8-23(26)28(24-9-3-6-12-27(24)31)34-17-13-29(35,14-18-34)25-10-4-1-7-22(25)21-33-19-15-32-16-20-33/h1-12,28,32,35H,13-21H2
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Article
PubMed
1.17E+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