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BDBM50097579 (6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine-8-carboxylic acid amide::8-CAC::8-carboxamidocyclazocine::CHEMBL58646::US9656961, Example 00157

SMILES: C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O

InChI Key: InChIKey=FAVQVALXVLMHLE-BKBNBNODSA-N

Data: 18 KI  4 IC50  4 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 26 hits for monomerid = 50097579   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
BindingDB Entry DOI: 10.7270/Q23X87JZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
BindingDB Entry DOI: 10.7270/Q208663G
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6516-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.082
BindingDB Entry DOI: 10.7270/Q21R6RCT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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US Patent
0.170n/an/an/an/an/an/an/an/a



ALKERMES PHARMA IRELAND LIMITED

US Patent




US Patent US9656961 (2017)


BindingDB Entry DOI: 10.7270/Q2PR7Z13
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
BindingDB Entry DOI: 10.7270/Q23X87JZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6516-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.082
BindingDB Entry DOI: 10.7270/Q21R6RCT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
BindingDB Entry DOI: 10.7270/Q208663G
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



University of Rochester

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 374-80 (2002)


Article DOI: 10.1124/jpet.302.1.374
BindingDB Entry DOI: 10.7270/Q2959G3P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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0.410n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined towards opioid receptor mu1 using [3H]-DAMGO as radioligand


Bioorg Med Chem Lett 13: 1911-4 (2003)


BindingDB Entry DOI: 10.7270/Q2FB529V
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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0.410n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Opioid receptor mu 1 of guinea pig brain membranes


Bioorg Med Chem Lett 11: 623-6 (2001)


BindingDB Entry DOI: 10.7270/Q2542MVZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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0.420n/an/an/an/an/an/an/an/a



University of Rochester

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 374-80 (2002)


Article DOI: 10.1124/jpet.302.1.374
BindingDB Entry DOI: 10.7270/Q2959G3P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined towards opioid receptor kappa 1 using [3H]U69,593 as radioligand


Bioorg Med Chem Lett 13: 1911-4 (2003)


BindingDB Entry DOI: 10.7270/Q2FB529V
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain membranes


Bioorg Med Chem Lett 11: 623-6 (2001)


BindingDB Entry DOI: 10.7270/Q2542MVZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
BindingDB Entry DOI: 10.7270/Q23X87JZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6516-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.082
BindingDB Entry DOI: 10.7270/Q21R6RCT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
BindingDB Entry DOI: 10.7270/Q208663G
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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8.30n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from Opioid receptor delta 1 of guinea pig brain membranes


Bioorg Med Chem Lett 11: 623-6 (2001)


BindingDB Entry DOI: 10.7270/Q2542MVZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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8.30n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined towards Opioid receptor delta 1 using [3H]-Naltrindole as radioligand


Bioorg Med Chem Lett 13: 1911-4 (2003)


BindingDB Entry DOI: 10.7270/Q2FB529V
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
BindingDB Entry DOI: 10.7270/Q208663G
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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n/an/an/an/a 4.40n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human kappa opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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n/an/an/an/a 2.70n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Partial agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins b...


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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n/an/an/an/a 4.40n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human kappa opioid receptor expressed in CHO cells assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
BindingDB Entry DOI: 10.7270/Q208663G
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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n/an/an/an/a 2.60n/an/an/an/a



ALKERMES PHARMA IRELAND LIMITED

US Patent




US Patent US9656961 (2017)


BindingDB Entry DOI: 10.7270/Q2PR7Z13
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



ALKERMES PHARMA IRELAND LIMITED

US Patent




US Patent US9656961 (2017)


BindingDB Entry DOI: 10.7270/Q2PR7Z13
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
BindingDB Entry DOI: 10.7270/Q208663G
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Partial agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding af...


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair