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SMILES: CN1CC[C@]23c4c5O[C@@]2(C)C(=O)CC[C@@]3(NC(=O)CSSCC(=O)N[C@]23CCC(=O)[C@]6(C)Oc7c8c(CC2N(C)CC[C@@]368)ccc7O)C1Cc4ccc5O

InChI Key: InChIKey=SHVLHVKHJFEEHO-LIKQZKCKSA-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 = 50284914   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50284914
PNG
(CHEMBL297605 | MET-TAMO and N-CPM-MET-TAMO analogu...)
Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)C(=O)CC[C@@]3(NC(=O)CSSCC(=O)N[C@]23CCC(=O)[C@]6(C)Oc7c8c(CC2N(C)CC[C@@]368)ccc7O)C1Cc4ccc5O |TLB:50:49:14:1.3.2,6:5:14:1.3.2,THB:43:35:25:38.41.40,33:34:25:38.41.40|
Show InChI InChI=1S/C40H46N4O8S2/c1-35-27(47)9-11-39(25-17-21-5-7-23(45)33(51-35)31(21)37(35,39)13-15-43(25)3)41-29(49)19-53-54-20-30(50)42-40-12-10-28(48)36(2)38(40)14-16-44(4)26(40)18-22-6-8-24(46)34(52-36)32(22)38/h5-8,25-26,45-46H,9-20H2,1-4H3,(H,41,49)(H,42,50)/t25?,26?,35-,36-,37-,38-,39+,40+/m0/s1
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Article
n/an/a 52n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Opioid receptor delta 1 binding to bovine striatal membrane


Bioorg Med Chem Lett 5: 1695-1700 (1995)


Article DOI: 10.1016/0960-894X(95)00287-4
BindingDB Entry DOI: 10.7270/Q2125SNJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM50284914
PNG
(CHEMBL297605 | MET-TAMO and N-CPM-MET-TAMO analogu...)
Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)C(=O)CC[C@@]3(NC(=O)CSSCC(=O)N[C@]23CCC(=O)[C@]6(C)Oc7c8c(CC2N(C)CC[C@@]368)ccc7O)C1Cc4ccc5O |TLB:50:49:14:1.3.2,6:5:14:1.3.2,THB:43:35:25:38.41.40,33:34:25:38.41.40|
Show InChI InChI=1S/C40H46N4O8S2/c1-35-27(47)9-11-39(25-17-21-5-7-23(45)33(51-35)31(21)37(35,39)13-15-43(25)3)41-29(49)19-53-54-20-30(50)42-40-12-10-28(48)36(2)38(40)14-16-44(4)26(40)18-22-6-8-24(46)34(52-36)32(22)38/h5-8,25-26,45-46H,9-20H2,1-4H3,(H,41,49)(H,42,50)/t25?,26?,35-,36-,37-,38-,39+,40+/m0/s1
PDB

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Article
n/an/a 2.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Opioid receptor mu 1 binding to bovine striatal membrane


Bioorg Med Chem Lett 5: 1695-1700 (1995)


Article DOI: 10.1016/0960-894X(95)00287-4
BindingDB Entry DOI: 10.7270/Q2125SNJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50284914
PNG
(CHEMBL297605 | MET-TAMO and N-CPM-MET-TAMO analogu...)
Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)C(=O)CC[C@@]3(NC(=O)CSSCC(=O)N[C@]23CCC(=O)[C@]6(C)Oc7c8c(CC2N(C)CC[C@@]368)ccc7O)C1Cc4ccc5O |TLB:50:49:14:1.3.2,6:5:14:1.3.2,THB:43:35:25:38.41.40,33:34:25:38.41.40|
Show InChI InChI=1S/C40H46N4O8S2/c1-35-27(47)9-11-39(25-17-21-5-7-23(45)33(51-35)31(21)37(35,39)13-15-43(25)3)41-29(49)19-53-54-20-30(50)42-40-12-10-28(48)36(2)38(40)14-16-44(4)26(40)18-22-6-8-24(46)34(52-36)32(22)38/h5-8,25-26,45-46H,9-20H2,1-4H3,(H,41,49)(H,42,50)/t25?,26?,35-,36-,37-,38-,39+,40+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
n/an/a 89n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Opioid receptor kappa1 binding to bovine striatal membrane


Bioorg Med Chem Lett 5: 1695-1700 (1995)


Article DOI: 10.1016/0960-894X(95)00287-4
BindingDB Entry DOI: 10.7270/Q2125SNJ
More data for this
Ligand-Target Pair