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8 similar compounds to monomer 82552

Compile data set for download or QSAR
Wt: 529.6
BDBM60274
Wt: 443.5
BDBM86661
Wt: 459.5
BDBM86663
Wt: 415.4
BDBM50006947
Wt: 443.5
BDBM50026994
Wt: 429.5
BDBM50105773
Wt: 415.4
BDBM50105776
Wt: 429.5
BDBM50026995

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 60274,86661,86663,50006947,50026994,50105773,50105776,50026995   
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))
BDBM50006947
PNG
(22-cyclopropylmethyl-(1S,2S,13R)-11,14-dioxa-22-az...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1oc2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20?,24-,25-,26+/m0/s1
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0.0130n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity at Opioid receptor delta 1 in guinea pig brain membranes


J Med Chem 34: 1757-62 (1991)


Article DOI: 10.1021/jm00110a001
BindingDB Entry DOI: 10.7270/Q2DZ08XD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM86661
PNG
(HS510A)
Show SMILES CCO[C@]12Cc3c(oc4ccccc34)C3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O
Show InChI InChI=1S/C28H29NO4/c1-2-31-28-14-19-18-5-3-4-6-21(18)32-24(19)26-27(28)11-12-29(15-16-7-8-16)22(28)13-17-9-10-20(30)25(33-26)23(17)27/h3-6,9-10,16,22,26,30H,2,7-8,11-15H2,1H3/t22?,26?,27?,28-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



I.G.B.M.C.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 410-21 (2005)


Article DOI: 10.1124/jpet.104.077321
BindingDB Entry DOI: 10.7270/Q2XD107N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM86663
PNG
(CAS_0 | HS595 | NSC_0)
Show SMILES COc1c2O[C@@]3(C)c4oc5ccccc5c4C[C@@]4(O)C5Cc(cc1O)c2C34CCN5CC1CC1
Show InChI InChI=1S/C28H29NO5/c1-26-25-18(17-5-3-4-6-20(17)33-25)13-28(31)21-12-16-11-19(30)23(32-2)24(34-26)22(16)27(26,28)9-10-29(21)14-15-7-8-15/h3-6,11,15,21,30-31H,7-10,12-14H2,1-2H3/t21?,26-,27?,28+/m0/s1
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0.220n/an/an/an/an/an/an/an/a



I.G.B.M.C.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 410-21 (2005)


Article DOI: 10.1124/jpet.104.077321
BindingDB Entry DOI: 10.7270/Q2XD107N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50026994
PNG
(CHEMBL2113646)
Show SMILES CCO[C@]12Cc3c(oc4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
Show InChI InChI=1S/C28H29NO4/c1-2-31-28-14-19-18-5-3-4-6-21(18)32-24(19)26-27(28)11-12-29(15-16-7-8-16)22(28)13-17-9-10-20(30)25(33-26)23(17)27/h3-6,9-10,16,22,26,30H,2,7-8,11-15H2,1H3/t22-,26+,27+,28-/m1/s1
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0.880n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by SNC80 (Opioid receptor delta 1) antagonist


J Med Chem 45: 5378-83 (2002)


Article DOI: 10.1021/jm020940p
BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50026994
PNG
(CHEMBL2113646)
Show SMILES CCO[C@]12Cc3c(oc4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
Show InChI InChI=1S/C28H29NO4/c1-2-31-28-14-19-18-5-3-4-6-21(18)32-24(19)26-27(28)11-12-29(15-16-7-8-16)22(28)13-17-9-10-20(30)25(33-26)23(17)27/h3-6,9-10,16,22,26,30H,2,7-8,11-15H2,1H3/t22-,26+,27+,28-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.


J Med Chem 45: 5378-83 (2002)


Article DOI: 10.1021/jm020940p
BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50026995
PNG
(CHEMBL2113653)
Show SMILES CCO[C@]12Cc3c(oc4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC=C)CC[C@@]235)ccc4O
Show InChI InChI=1S/C27H27NO4/c1-3-12-28-13-11-26-22-16-9-10-19(29)24(22)32-25(26)23-18(17-7-5-6-8-20(17)31-23)15-27(26,30-4-2)21(28)14-16/h3,5-10,21,25,29H,1,4,11-15H2,2H3/t21-,25+,26+,27-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.


J Med Chem 45: 5378-83 (2002)


Article DOI: 10.1021/jm020940p
BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50105776
PNG
(22-(2-methylallyl)-(2S,13R)-11,14-dioxa-22-azahept...)
Show SMILES CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4oc2ccccc12)ccc5O
Show InChI InChI=1S/C26H25NO4/c1-14(2)13-27-10-9-25-21-15-7-8-18(28)23(21)31-24(25)22-17(12-26(25,29)20(27)11-15)16-5-3-4-6-19(16)30-22/h3-8,20,24,28-29H,1,9-13H2,2H3/t20?,24-,25?,26+/m0/s1
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8.20n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from Opioid receptor delta 1


Bioorg Med Chem Lett 11: 2883-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00580-7
BindingDB Entry DOI: 10.7270/Q2D79BZV
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50006947
PNG
(22-cyclopropylmethyl-(1S,2S,13R)-11,14-dioxa-22-az...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1oc2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20?,24-,25-,26+/m0/s1
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19n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity at Opioid receptor mu 1 in guinea pig brain membranes


J Med Chem 34: 1757-62 (1991)


Article DOI: 10.1021/jm00110a001
BindingDB Entry DOI: 10.7270/Q2DZ08XD
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50026995
PNG
(CHEMBL2113653)
Show SMILES CCO[C@]12Cc3c(oc4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC=C)CC[C@@]235)ccc4O
Show InChI InChI=1S/C27H27NO4/c1-3-12-28-13-11-26-22-16-9-10-19(29)24(22)32-25(26)23-18(17-7-5-6-8-20(17)31-23)15-27(26,30-4-2)21(28)14-16/h3,5-10,21,25,29H,1,4,11-15H2,2H3/t21-,25+,26+,27-/m1/s1
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23n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.


J Med Chem 45: 5378-83 (2002)


Article DOI: 10.1021/jm020940p
BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50105773
PNG
(17-(2-methylallyl)-substituted noroxymorphone deri...)
Show SMILES COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1oc2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C27H27NO4/c1-15(2)14-28-11-10-26-22-16-8-9-20(30-3)24(22)32-25(26)23-18(13-27(26,29)21(28)12-16)17-6-4-5-7-19(17)31-23/h4-9,21,25,29H,1,10-14H2,2-3H3/t21?,25-,26?,27+/m0/s1
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44n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from Opioid receptor delta 1


Bioorg Med Chem Lett 11: 2883-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00580-7
BindingDB Entry DOI: 10.7270/Q2D79BZV
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50026995
PNG
(CHEMBL2113653)
Show SMILES CCO[C@]12Cc3c(oc4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC=C)CC[C@@]235)ccc4O
Show InChI InChI=1S/C27H27NO4/c1-3-12-28-13-11-26-22-16-9-10-19(29)24(22)32-25(26)23-18(17-7-5-6-8-20(17)31-23)15-27(26,30-4-2)21(28)14-16/h3,5-10,21,25,29H,1,4,11-15H2,2H3/t21-,25+,26+,27-/m1/s1
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68n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.


J Med Chem 45: 5378-83 (2002)


Article DOI: 10.1021/jm020940p
BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50026994
PNG
(CHEMBL2113646)
Show SMILES CCO[C@]12Cc3c(oc4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
Show InChI InChI=1S/C28H29NO4/c1-2-31-28-14-19-18-5-3-4-6-21(18)32-24(19)26-27(28)11-12-29(15-16-7-8-16)22(28)13-17-9-10-20(30)25(33-26)23(17)27/h3-6,9-10,16,22,26,30H,2,7-8,11-15H2,1H3/t22-,26+,27+,28-/m1/s1
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94n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.


J Med Chem 45: 5378-83 (2002)


Article DOI: 10.1021/jm020940p
BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50006947
PNG
(22-cyclopropylmethyl-(1S,2S,13R)-11,14-dioxa-22-az...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1oc2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20?,24-,25-,26+/m0/s1
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152n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity of Opioid receptor kappa 1 in guinea pig brain membranes


J Med Chem 34: 1757-62 (1991)


Article DOI: 10.1021/jm00110a001
BindingDB Entry DOI: 10.7270/Q2DZ08XD
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50026994
PNG
(CHEMBL2113646)
Show SMILES CCO[C@]12Cc3c(oc4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
Show InChI InChI=1S/C28H29NO4/c1-2-31-28-14-19-18-5-3-4-6-21(18)32-24(19)26-27(28)11-12-29(15-16-7-8-16)22(28)13-17-9-10-20(30)25(33-26)23(17)27/h3-6,9-10,16,22,26,30H,2,7-8,11-15H2,1H3/t22-,26+,27+,28-/m1/s1
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185n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.


J Med Chem 45: 5378-83 (2002)


Article DOI: 10.1021/jm020940p
BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50105776
PNG
(22-(2-methylallyl)-(2S,13R)-11,14-dioxa-22-azahept...)
Show SMILES CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4oc2ccccc12)ccc5O
Show InChI InChI=1S/C26H25NO4/c1-14(2)13-27-10-9-25-21-15-7-8-18(28)23(21)31-24(25)22-17(12-26(25,29)20(27)11-15)16-5-3-4-6-19(16)30-22/h3-8,20,24,28-29H,1,9-13H2,2H3/t20?,24-,25?,26+/m0/s1
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580n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from Opioid receptor kappa 1


Bioorg Med Chem Lett 11: 2883-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00580-7
BindingDB Entry DOI: 10.7270/Q2D79BZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50105776
PNG
(22-(2-methylallyl)-(2S,13R)-11,14-dioxa-22-azahept...)
Show SMILES CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4oc2ccccc12)ccc5O
Show InChI InChI=1S/C26H25NO4/c1-14(2)13-27-10-9-25-21-15-7-8-18(28)23(21)31-24(25)22-17(12-26(25,29)20(27)11-15)16-5-3-4-6-19(16)30-22/h3-8,20,24,28-29H,1,9-13H2,2H3/t20?,24-,25?,26+/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Opioid receptor mu 1


Bioorg Med Chem Lett 11: 2883-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00580-7
BindingDB Entry DOI: 10.7270/Q2D79BZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50105773
PNG
(17-(2-methylallyl)-substituted noroxymorphone deri...)
Show SMILES COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1oc2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C27H27NO4/c1-15(2)14-28-11-10-26-22-16-8-9-20(30-3)24(22)32-25(26)23-18(13-27(26,29)21(28)12-16)17-6-4-5-7-19(17)31-23/h4-9,21,25,29H,1,10-14H2,2-3H3/t21?,25-,26?,27+/m0/s1
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>6.00E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Opioid receptor mu 1


Bioorg Med Chem Lett 11: 2883-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00580-7
BindingDB Entry DOI: 10.7270/Q2D79BZV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50105773
PNG
(17-(2-methylallyl)-substituted noroxymorphone deri...)
Show SMILES COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1oc2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C27H27NO4/c1-15(2)14-28-11-10-26-22-16-8-9-20(30-3)24(22)32-25(26)23-18(13-27(26,29)21(28)12-16)17-6-4-5-7-19(17)31-23/h4-9,21,25,29H,1,10-14H2,2-3H3/t21?,25-,26?,27+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from Opioid receptor kappa 1


Bioorg Med Chem Lett 11: 2883-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00580-7
BindingDB Entry DOI: 10.7270/Q2D79BZV
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50026994
PNG
(CHEMBL2113646)
Show SMILES CCO[C@]12Cc3c(oc4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
Show InChI InChI=1S/C28H29NO4/c1-2-31-28-14-19-18-5-3-4-6-21(18)32-24(19)26-27(28)11-12-29(15-16-7-8-16)22(28)13-17-9-10-20(30)25(33-26)23(17)27/h3-6,9-10,16,22,26,30H,2,7-8,11-15H2,1H3/t22-,26+,27+,28-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by DAMGO (Opioid receptor mu 1) antagonist


J Med Chem 45: 5378-83 (2002)


Article DOI: 10.1021/jm020940p
BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50026994
PNG
(CHEMBL2113646)
Show SMILES CCO[C@]12Cc3c(oc4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
Show InChI InChI=1S/C28H29NO4/c1-2-31-28-14-19-18-5-3-4-6-21(18)32-24(19)26-27(28)11-12-29(15-16-7-8-16)22(28)13-17-9-10-20(30)25(33-26)23(17)27/h3-6,9-10,16,22,26,30H,2,7-8,11-15H2,1H3/t22-,26+,27+,28-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by U69,593 (Opioid receptor kappa 1) antagonist


J Med Chem 45: 5378-83 (2002)


Article DOI: 10.1021/jm020940p
BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM60274
PNG
(MLS001056594 | Naltriben methanesulfonate hydrate ...)
Show SMILES O.CS(O)(=O)=O.Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1oc2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C26H25NO4.CH4O3S.H2O/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14;1-5(2,3)4;/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2;1H3,(H,2,3,4);1H2/t20-,24-,25-,26+;;/m0../s1
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n/an/a 699n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20C4T6J
More data for this
Ligand-Target Pair