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SMILES: OC12Cc3c([nH]c4ccccc34)C3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4OCCc1ccccc1

InChI Key: InChIKey=VQQDNJPWCBDBIN-UHFFFAOYSA-N

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 = 50366622   
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


(Rattus norvegicus (rat))
BDBM50366622
PNG
(CHEMBL1202098)
Show SMILES OC12Cc3c([nH]c4ccccc34)C3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4OCCc1ccccc1 |TLB:0:1:19.24.25:16.17.15,2:1:19.24.25:16.17.15,THB:27:16:1:19.24.25,14:15:1:19.24.25,20:19:1:16.17.15|
Show InChI InChI=1S/C34H34N2O3/c37-34-19-25-24-8-4-5-9-26(24)35-30(25)32-33(34)15-16-36(20-22-10-11-22)28(34)18-23-12-13-27(31(39-32)29(23)33)38-17-14-21-6-2-1-3-7-21/h1-9,12-13,22,28,32,35,37H,10-11,14-20H2
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CHEMBL
PC cid
PC sid
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Similars

PubMed
1.04E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to displace [3H]DADL from delta opioid receptor


Bioorg Med Chem Lett 9: 3435-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GT5NPZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50366622
PNG
(CHEMBL1202098)
Show SMILES OC12Cc3c([nH]c4ccccc34)C3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4OCCc1ccccc1 |TLB:0:1:19.24.25:16.17.15,2:1:19.24.25:16.17.15,THB:27:16:1:19.24.25,14:15:1:19.24.25,20:19:1:16.17.15|
Show InChI InChI=1S/C34H34N2O3/c37-34-19-25-24-8-4-5-9-26(24)35-30(25)32-33(34)15-16-36(20-22-10-11-22)28(34)18-23-12-13-27(31(39-32)29(23)33)38-17-14-21-6-2-1-3-7-21/h1-9,12-13,22,28,32,35,37H,10-11,14-20H2
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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
>6.25E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from mu opioid receptor


Bioorg Med Chem Lett 9: 3435-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GT5NPZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50366622
PNG
(CHEMBL1202098)
Show SMILES OC12Cc3c([nH]c4ccccc34)C3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4OCCc1ccccc1 |TLB:0:1:19.24.25:16.17.15,2:1:19.24.25:16.17.15,THB:27:16:1:19.24.25,14:15:1:19.24.25,20:19:1:16.17.15|
Show InChI InChI=1S/C34H34N2O3/c37-34-19-25-24-8-4-5-9-26(24)35-30(25)32-33(34)15-16-36(20-22-10-11-22)28(34)18-23-12-13-27(31(39-32)29(23)33)38-17-14-21-6-2-1-3-7-21/h1-9,12-13,22,28,32,35,37H,10-11,14-20H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>7.04E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from kappa opioid receptor


Bioorg Med Chem Lett 9: 3435-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GT5NPZ
More data for this
Ligand-Target Pair