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BDBM50157793 6,7-didehydro-3,14-dihydroxy-1'17-dimethyl-4,5 alpha-epoxy-4',5',6',7'-tetrahydroindolo[2',3';6,7]morphinan::CHEMBL374228

SMILES: CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O

InChI Key: InChIKey=FITWJUAGQFUQPT-OSHIAZECSA-N

Data: 3 KI  3 EC50

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 6 hits for monomerid = 50157793   
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


(Homo sapiens (Human))
BDBM50157793
PNG
(6,7-didehydro-3,14-dihydroxy-1'17-dimethyl-4,5 alp...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O |r,TLB:25:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C24H28N2O3/c1-25-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(25)11-13)14-5-3-4-6-16(14)26(20)2/h7-8,18,22,27-28H,3-6,9-12H2,1-2H3/t18?,22-,23-,24+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50157793
PNG
(6,7-didehydro-3,14-dihydroxy-1'17-dimethyl-4,5 alp...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O |r,TLB:25:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C24H28N2O3/c1-25-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(25)11-13)14-5-3-4-6-16(14)26(20)2/h7-8,18,22,27-28H,3-6,9-12H2,1-2H3/t18?,22-,23-,24+/m0/s1
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25n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50157793
PNG
(6,7-didehydro-3,14-dihydroxy-1'17-dimethyl-4,5 alp...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O |r,TLB:25:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C24H28N2O3/c1-25-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(25)11-13)14-5-3-4-6-16(14)26(20)2/h7-8,18,22,27-28H,3-6,9-12H2,1-2H3/t18?,22-,23-,24+/m0/s1
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89n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50157793
PNG
(6,7-didehydro-3,14-dihydroxy-1'17-dimethyl-4,5 alp...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O |r,TLB:25:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C24H28N2O3/c1-25-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(25)11-13)14-5-3-4-6-16(14)26(20)2/h7-8,18,22,27-28H,3-6,9-12H2,1-2H3/t18?,22-,23-,24+/m0/s1
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n/an/an/an/a 222n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50157793
PNG
(6,7-didehydro-3,14-dihydroxy-1'17-dimethyl-4,5 alp...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O |r,TLB:25:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C24H28N2O3/c1-25-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(25)11-13)14-5-3-4-6-16(14)26(20)2/h7-8,18,22,27-28H,3-6,9-12H2,1-2H3/t18?,22-,23-,24+/m0/s1
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n/an/an/an/a 8.5n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50157793
PNG
(6,7-didehydro-3,14-dihydroxy-1'17-dimethyl-4,5 alp...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O |r,TLB:25:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C24H28N2O3/c1-25-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(25)11-13)14-5-3-4-6-16(14)26(20)2/h7-8,18,22,27-28H,3-6,9-12H2,1-2H3/t18?,22-,23-,24+/m0/s1
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n/an/an/an/a 97n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair