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BDBM50259399 CHEMBL3084551::endo-methyl 8-(bis(2-chlorophenyl)methyl)-3-(pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ylcarbamate

SMILES: [H][C@]12CC[C@]([H])(C[C@](C1)(NC(=O)OC)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl

InChI Key: InChIKey=DARVYVPYKGICLE-RTBURBONSA-N

Data: 2 KI  2 EC50

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 = 50259399   
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))
BDBM50259399
PNG
(CHEMBL3084551 | endo-methyl 8-(bis(2-chlorophenyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(=O)OC)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C27H27Cl2N3O2/c1-34-26(33)31-27(24-12-6-7-15-30-24)16-18-13-14-19(17-27)32(18)25(20-8-2-4-10-22(20)28)21-9-3-5-11-23(21)29/h2-12,15,18-19,25H,13-14,16-17H2,1H3,(H,31,33)/t18-,19-/m1/s1
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PC cid
PC sid
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Article
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10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259399
PNG
(CHEMBL3084551 | endo-methyl 8-(bis(2-chlorophenyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(=O)OC)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C27H27Cl2N3O2/c1-34-26(33)31-27(24-12-6-7-15-30-24)16-18-13-14-19(17-27)32(18)25(20-8-2-4-10-22(20)28)21-9-3-5-11-23(21)29/h2-12,15,18-19,25H,13-14,16-17H2,1H3,(H,31,33)/t18-,19-/m1/s1
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741n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259399
PNG
(CHEMBL3084551 | endo-methyl 8-(bis(2-chlorophenyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(=O)OC)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C27H27Cl2N3O2/c1-34-26(33)31-27(24-12-6-7-15-30-24)16-18-13-14-19(17-27)32(18)25(20-8-2-4-10-22(20)28)21-9-3-5-11-23(21)29/h2-12,15,18-19,25H,13-14,16-17H2,1H3,(H,31,33)/t18-,19-/m1/s1
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n/an/an/an/a 87n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cloned ORL1 receptor assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259399
PNG
(CHEMBL3084551 | endo-methyl 8-(bis(2-chlorophenyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(=O)OC)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C27H27Cl2N3O2/c1-34-26(33)31-27(24-12-6-7-15-30-24)16-18-13-14-19(17-27)32(18)25(20-8-2-4-10-22(20)28)21-9-3-5-11-23(21)29/h2-12,15,18-19,25H,13-14,16-17H2,1H3,(H,31,33)/t18-,19-/m1/s1
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PubMed
n/an/an/an/a 3.78E+3n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
More data for this
Ligand-Target Pair