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BDBM50105491 17-allyl-(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-5-ol::CHEMBL328269::MCL-113

SMILES: Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CC=C)c1

InChI Key: InChIKey=SISVKKMIVGWPLL-PAMZHZACSA-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 = 50105491   
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


(Cavia porcellus (domestic guinea pig))
BDBM50105491
PNG
(17-allyl-(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10....)
Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CC=C)c1 |THB:17:16:8:4.5.6|
Show InChI InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-17(19)18(20)13-14-12-15(21)6-7-16(14)19/h2,6-7,12,17-18,21H,1,3-5,8-11,13H2/t17-,18+,19?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.160n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593


Bioorg Med Chem Lett 11: 2735-40 (2001)


BindingDB Entry DOI: 10.7270/Q25T3M01
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50105491
PNG
(17-allyl-(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10....)
Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CC=C)c1 |THB:17:16:8:4.5.6|
Show InChI InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-17(19)18(20)13-14-12-15(21)6-7-16(14)19/h2,6-7,12,17-18,21H,1,3-5,8-11,13H2/t17-,18+,19?/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 in guinea pig brain membranes using [3H]DAMGO as radioligand


Bioorg Med Chem Lett 11: 2735-40 (2001)


BindingDB Entry DOI: 10.7270/Q25T3M01
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50105491
PNG
(17-allyl-(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10....)
Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CC=C)c1 |THB:17:16:8:4.5.6|
Show InChI InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-17(19)18(20)13-14-12-15(21)6-7-16(14)19/h2,6-7,12,17-18,21H,1,3-5,8-11,13H2/t17-,18+,19?/m0/s1
PDB

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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
4.10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 in guinea pig brain membranes using [3H]naltrindole as radioligand


Bioorg Med Chem Lett 11: 2735-40 (2001)


BindingDB Entry DOI: 10.7270/Q25T3M01
More data for this
Ligand-Target Pair