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BDBM50001975 CHEMBL193586

SMILES: [H][C@@]12Oc3c4c(CC5N(C)CCC14[C@@]5(O)Cc1cc(cnc21)-c1ccc(Br)cc1)ccc3O

InChI Key: InChIKey=VFSKBAPCGVOKRI-RFTKNZGOSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50001975   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001975
PNG
(CHEMBL193586)
Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Br)cc1)ccc5O
Show InChI InChI=1S/C26H23BrN2O3/c1-29-9-8-25-21-15-4-7-19(30)23(21)32-24(25)22-16(12-26(25,31)20(29)11-15)10-17(13-28-22)14-2-5-18(27)6-3-14/h2-7,10,13,20,24,30-31H,8-9,11-12H2,1H3/t20?,24-,25?,26+/m0/s1
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PubMed
4n/an/an/an/an/an/an/an/a



University of Medicine & Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS)

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 from rat brain membranes using [3H]DADLE


J Med Chem 48: 1620-9 (2005)

Checked by Author
Article DOI: 10.1021/jm049117e
BindingDB Entry DOI: 10.7270/Q2ZP47MP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001975
PNG
(CHEMBL193586)
Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Br)cc1)ccc5O
Show InChI InChI=1S/C26H23BrN2O3/c1-29-9-8-25-21-15-4-7-19(30)23(21)32-24(25)22-16(12-26(25,31)20(29)11-15)10-17(13-28-22)14-2-5-18(27)6-3-14/h2-7,10,13,20,24,30-31H,8-9,11-12H2,1H3/t20?,24-,25?,26+/m0/s1
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195n/an/an/an/an/an/an/an/a



University of Medicine & Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS)

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 from rat brain membranes using [3H]DAMGO


J Med Chem 48: 1620-9 (2005)

Checked by Author
Article DOI: 10.1021/jm049117e
BindingDB Entry DOI: 10.7270/Q2ZP47MP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001975
PNG
(CHEMBL193586)
Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Br)cc1)ccc5O
Show InChI InChI=1S/C26H23BrN2O3/c1-29-9-8-25-21-15-4-7-19(30)23(21)32-24(25)22-16(12-26(25,31)20(29)11-15)10-17(13-28-22)14-2-5-18(27)6-3-14/h2-7,10,13,20,24,30-31H,8-9,11-12H2,1H3/t20?,24-,25?,26+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
437n/an/an/an/an/an/an/an/a



University of Medicine & Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS)

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 from guinea pig brain membranes using [3H]U-69593


J Med Chem 48: 1620-9 (2005)

Checked by Author
Article DOI: 10.1021/jm049117e
BindingDB Entry DOI: 10.7270/Q2ZP47MP
More data for this
Ligand-Target Pair