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SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1cnc(nc21)-c1ccccc1)ccc3O

InChI Key: InChIKey=GPGRMDVWLCPNDV-NZHOUOPXSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50001188   
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))
BDBM50001188
PNG
(CHEMBL2112571)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1cnc(nc21)-c1ccccc1)ccc3O |THB:10:9:17:4.5.6|
Show InChI InChI=1S/C28H27N3O3/c32-20-9-8-18-12-21-28(33)13-19-14-29-26(17-4-2-1-3-5-17)30-23(19)25-27(28,22(18)24(20)34-25)10-11-31(21)15-16-6-7-16/h1-5,8-9,14,16,21,25,32-33H,6-7,10-13,15H2/t21-,25+,27+,28-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor kappa 1 was determined by inhibition of binding of [3H]U-69593 (1.2-2.2 nM) to guinea pig brain membranes


J Med Chem 42: 3527-38 (1999)


Article DOI: 10.1021/jm990039i
BindingDB Entry DOI: 10.7270/Q2QR4XSQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001188
PNG
(CHEMBL2112571)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1cnc(nc21)-c1ccccc1)ccc3O |THB:10:9:17:4.5.6|
Show InChI InChI=1S/C28H27N3O3/c32-20-9-8-18-12-21-28(33)13-19-14-29-26(17-4-2-1-3-5-17)30-23(19)25-27(28,22(18)24(20)34-25)10-11-31(21)15-16-6-7-16/h1-5,8-9,14,16,21,25,32-33H,6-7,10-13,15H2/t21-,25+,27+,28-/m1/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor delta 1 was determined by inhibition of binding of [3H]DADLE (1.3-2.0 nM) to rat brain membranes


J Med Chem 42: 3527-38 (1999)


Article DOI: 10.1021/jm990039i
BindingDB Entry DOI: 10.7270/Q2QR4XSQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001188
PNG
(CHEMBL2112571)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1cnc(nc21)-c1ccccc1)ccc3O |THB:10:9:17:4.5.6|
Show InChI InChI=1S/C28H27N3O3/c32-20-9-8-18-12-21-28(33)13-19-14-29-26(17-4-2-1-3-5-17)30-23(19)25-27(28,22(18)24(20)34-25)10-11-31(21)15-16-6-7-16/h1-5,8-9,14,16,21,25,32-33H,6-7,10-13,15H2/t21-,25+,27+,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor mu 1 was determined by inhibition of binding of [3H]DAMGO (1.4-3 nM) to rat brain membranes


J Med Chem 42: 3527-38 (1999)


Article DOI: 10.1021/jm990039i
BindingDB Entry DOI: 10.7270/Q2QR4XSQ
More data for this
Ligand-Target Pair