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SMILES: C[C@H]1C2Cc3ccc4nc[nH]c4c3[C@@]1(C)CCN2CC1CC1

InChI Key: InChIKey=LDRBAEPMWJIAHQ-RIIOYKDLSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50277116   
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))
BDBM50277116
PNG
((1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,...)
Show SMILES C[C@H]1C2Cc3ccc4nc[nH]c4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:12:1:17.16.15,18:17:1:4.12.3|
Show InChI InChI=1S/C19H25N3/c1-12-16-9-14-5-6-15-18(21-11-20-15)17(14)19(12,2)7-8-22(16)10-13-3-4-13/h5-6,11-13,16H,3-4,7-10H2,1-2H3,(H,20,21)/t12-,16?,19-/m0/s1
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Article
PubMed
0.920n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 365-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.076
BindingDB Entry DOI: 10.7270/Q2M0458C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50277116
PNG
((1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,...)
Show SMILES C[C@H]1C2Cc3ccc4nc[nH]c4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:12:1:17.16.15,18:17:1:4.12.3|
Show InChI InChI=1S/C19H25N3/c1-12-16-9-14-5-6-15-18(21-11-20-15)17(14)19(12,2)7-8-22(16)10-13-3-4-13/h5-6,11-13,16H,3-4,7-10H2,1-2H3,(H,20,21)/t12-,16?,19-/m0/s1
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Article
PubMed
9.5n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 365-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.076
BindingDB Entry DOI: 10.7270/Q2M0458C
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50277116
PNG
((1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,...)
Show SMILES C[C@H]1C2Cc3ccc4nc[nH]c4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:12:1:17.16.15,18:17:1:4.12.3|
Show InChI InChI=1S/C19H25N3/c1-12-16-9-14-5-6-15-18(21-11-20-15)17(14)19(12,2)7-8-22(16)10-13-3-4-13/h5-6,11-13,16H,3-4,7-10H2,1-2H3,(H,20,21)/t12-,16?,19-/m0/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
680n/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 Lett 19: 365-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.076
BindingDB Entry DOI: 10.7270/Q2M0458C
More data for this
Ligand-Target Pair