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BDBM50194269 (+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-cis-6,11-dimethyl-N-[1,1'-biphenyl]-4-yl-2,6-methano-3-benzazocine-8-carboxamide::CHEMBL215760

SMILES: C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)Nc1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=HBRATRYIPHBULI-YAALIPEISA-N

Data: 3 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 3 hits for monomerid = 50194269   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50194269
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)Nc1ccc(cc1)-c1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C31H34N2O/c1-21-29-19-25-10-11-26(18-28(25)31(21,2)16-17-33(29)20-22-8-9-22)30(34)32-27-14-12-24(13-15-27)23-6-4-3-5-7-23/h3-7,10-15,18,21-22,29H,8-9,16-17,19-20H2,1-2H3,(H,32,34)/t21-,29?,31-/m0/s1
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Article
PubMed
18n/an/an/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))
BDBM50194269
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)Nc1ccc(cc1)-c1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C31H34N2O/c1-21-29-19-25-10-11-26(18-28(25)31(21,2)16-17-33(29)20-22-8-9-22)30(34)32-27-14-12-24(13-15-27)23-6-4-3-5-7-23/h3-7,10-15,18,21-22,29H,8-9,16-17,19-20H2,1-2H3,(H,32,34)/t21-,29?,31-/m0/s1
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PubMed
27n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50194269
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)Nc1ccc(cc1)-c1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C31H34N2O/c1-21-29-19-25-10-11-26(18-28(25)31(21,2)16-17-33(29)20-22-8-9-22)30(34)32-27-14-12-24(13-15-27)23-6-4-3-5-7-23/h3-7,10-15,18,21-22,29H,8-9,16-17,19-20H2,1-2H3,(H,32,34)/t21-,29?,31-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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PC sid
UniChem

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Article
PubMed
110n/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