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BDBM50194268 (+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-cis-6,11-dimethyl-N-(2-[1,1'-biphenyl]-4-ylethyl)-N-methyl-2,6-methano-3-benzazocine-8-carboxamide::CHEMBL215594

SMILES: C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)N(C)CCc1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=MIFSERBMWGERMW-QEMPRMEGSA-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 = 50194268   
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))
BDBM50194268
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)N(C)CCc1ccc(cc1)-c1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C34H40N2O/c1-24-32-22-29-15-16-30(21-31(29)34(24,2)18-20-36(32)23-26-9-10-26)33(37)35(3)19-17-25-11-13-28(14-12-25)27-7-5-4-6-8-27/h4-8,11-16,21,24,26,32H,9-10,17-20,22-23H2,1-3H3/t24-,32?,34-/m0/s1
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Article
PubMed
6.70n/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))
BDBM50194268
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)N(C)CCc1ccc(cc1)-c1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C34H40N2O/c1-24-32-22-29-15-16-30(21-31(29)34(24,2)18-20-36(32)23-26-9-10-26)33(37)35(3)19-17-25-11-13-28(14-12-25)27-7-5-4-6-8-27/h4-8,11-16,21,24,26,32H,9-10,17-20,22-23H2,1-3H3/t24-,32?,34-/m0/s1
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Article
PubMed
11n/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))
BDBM50194268
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)N(C)CCc1ccc(cc1)-c1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C34H40N2O/c1-24-32-22-29-15-16-30(21-31(29)34(24,2)18-20-36(32)23-26-9-10-26)33(37)35(3)19-17-25-11-13-28(14-12-25)27-7-5-4-6-8-27/h4-8,11-16,21,24,26,32H,9-10,17-20,22-23H2,1-3H3/t24-,32?,34-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC sid
UniChem

Patents


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Article
PubMed
12n/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