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BDBM50032526 17-allyl-4-hydroxy-3,10-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one::CHEMBL317030

SMILES: COc1c(O)ccc2CC3N(CC=C)CCC4(CC(=O)CC[C@@]34OC)c12

InChI Key: InChIKey=MOUUUMWXJMHUKI-FBPXKMNZSA-N

Data: 3 KI

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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 = 50032526   
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


(GUINEA PIG)
BDBM50032526
PNG
(17-allyl-4-hydroxy-3,10-dimethoxy-17-azatetracyclo...)
Show SMILES COc1c(O)ccc2CC3N(CC=C)CCC4(CC(=O)CC[C@@]34OC)c12 |TLB:11:10:22:25.7.8,23:22:25.7.8:10.15.14,THB:2:25:22:10.15.14|
Show InChI InChI=1S/C21H27NO4/c1-4-10-22-11-9-20-13-15(23)7-8-21(20,26-3)17(22)12-14-5-6-16(24)19(25-2)18(14)20/h4-6,17,24H,1,7-13H2,2-3H3/t17?,20?,21-/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
7.30n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the ability to displace [3H]DAMGO radioligand binding from Opioid receptor mu 1 in guinea pig brain membr...


J Med Chem 38: 3071-7 (1995)


BindingDB Entry DOI: 10.7270/Q2QJ7HZ2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50032526
PNG
(17-allyl-4-hydroxy-3,10-dimethoxy-17-azatetracyclo...)
Show SMILES COc1c(O)ccc2CC3N(CC=C)CCC4(CC(=O)CC[C@@]34OC)c12 |TLB:11:10:22:25.7.8,23:22:25.7.8:10.15.14,THB:2:25:22:10.15.14|
Show InChI InChI=1S/C21H27NO4/c1-4-10-22-11-9-20-13-15(23)7-8-21(20,26-3)17(22)12-14-5-6-16(24)19(25-2)18(14)20/h4-6,17,24H,1,7-13H2,2-3H3/t17?,20?,21-/m1/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
25n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
In vivo binding affinity was evaluated by measuring the ability to displace [3H]U-69593 radioligand binding from Opioid receptor kappa 1 in guinea pi...


J Med Chem 38: 3071-7 (1995)


BindingDB Entry DOI: 10.7270/Q2QJ7HZ2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50032526
PNG
(17-allyl-4-hydroxy-3,10-dimethoxy-17-azatetracyclo...)
Show SMILES COc1c(O)ccc2CC3N(CC=C)CCC4(CC(=O)CC[C@@]34OC)c12 |TLB:11:10:22:25.7.8,23:22:25.7.8:10.15.14,THB:2:25:22:10.15.14|
Show InChI InChI=1S/C21H27NO4/c1-4-10-22-11-9-20-13-15(23)7-8-21(20,26-3)17(22)12-14-5-6-16(24)19(25-2)18(14)20/h4-6,17,24H,1,7-13H2,2-3H3/t17?,20?,21-/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
26n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
In vivo binding affinity was evaluated by measuring the ability to displace [3H]DPDPE radioligand binding from delta opioid receptor in guinea pig br...


J Med Chem 38: 3071-7 (1995)


BindingDB Entry DOI: 10.7270/Q2QJ7HZ2
More data for this
Ligand-Target Pair