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Compile Data Set for Download or QSAR

Found 1565 hits with Last Name = 'ananthan' and Initial = 's'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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 0.0400n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM SNC-80 as the agonist ligand for delta-rec...

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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 0.0620n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Apparent antagonist activity determined by measuring the ability to inhibit stimulation of [35S]GTP-gamma-S, binding to opioid receptor delta 1 in gu...

J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM50582801
PNG
(CHEMBL5076656)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2cc(Cl)nn2)c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F |r,c:9|
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 0.0700n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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 0.110n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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 0.120n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM U69,593 as the agonist ligand for kappa-re...

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM50582799
PNG
(CHEMBL5094166)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2cc(Cl)nn2)c2cc(ccn2)-c2c(NC1=O)cnn2C |r,c:9|
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 0.120n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50545673
PNG
(CHEMBL4634079)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-n1cccc1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C36H37N3O3/c40-29-13-12-26-20-30-36(41-18-6-9-24-7-2-1-3-8-24)21-27-19-28(38-15-4-5-16-38)22-37-32(27)34-35(36,31(26)33(29)42-34)14-17-39(30)23-25-10-11-25/h1-5,7-8,12-13,15-16,19,22,25,30,34,40H,6,9-11,14,17-18,20-21,23H2/t30-,34+,35+,36-/m1/s1
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<0.169n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...

J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM50582800
PNG
(CHEMBL5093567)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
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 0.170n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50080467
PNG
(5'-(Chlorophenyl)-17-(cyclopropylmethyl) -6,7-dide...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H27ClN2O3/c30-21-6-3-17(4-7-21)20-11-19-13-29(34)23-12-18-5-8-22(33)26-24(18)28(29,27(35-26)25(19)31-14-20)9-10-32(23)15-16-1-2-16/h3-8,11,14,16,23,27,33-34H,1-2,9-10,12-13,15H2/t23-,27?,28+,29-/m1/s1
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 0.180n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Apparent antagonist activity determined by measuring the ability to inhibit stimulation of [35S]GTP-gamma-S, binding to opioid receptor delta 1 in gu...

J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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 0.240n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from morphine-insensitive Opioid receptor delta 1 (presence of 50 nM morphine) of rat brain membranes

J Med Chem 41: 2872-81 (1998)


Article DOI: 10.1021/jm980083i
BindingDB Entry DOI: 10.7270/Q24F1RFN
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM50541586
PNG
(CHEMBL4638245)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:22|
Show InChI InChI=1S/C31H29ClF2N4O4/c1-17-4-3-5-26(38-13-11-19(15-27(38)39)28-23(33)9-8-22(32)29(28)34)25-14-18(10-12-35-25)21-7-6-20(36-31(41)42-2)16-24(21)37-30(17)40/h6-10,12,14-17,26H,3-5,11,13H2,1-2H3,(H,36,41)(H,37,40)/t17-,26+/m1/s1
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 0.260n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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 0.290n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from Opioid receptor delta 1 of rat brain membranes (DAMGO quenching mu receptor)

J Med Chem 41: 2872-81 (1998)


Article DOI: 10.1021/jm980083i
BindingDB Entry DOI: 10.7270/Q24F1RFN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50057761
PNG
(CHEMBL3322994)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N5O/c23-17-6-5-7-19(21(17)24)28-14-12-27(13-15-28)10-4-2-9-25-22(30)18-16-29-11-3-1-8-20(29)26-18/h1,3,5-8,11,16H,2,4,9-10,12-15H2,(H,25,30)
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 0.300n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method

J Med Chem 57: 7042-60 (2014)


Article DOI: 10.1021/jm500801r
BindingDB Entry DOI: 10.7270/Q27D2WSR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM301790
PNG
( N-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butyl)...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)N3CCN(CC3)c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C25H33Cl2N5O/c26-22-9-6-10-23(24(22)27)31-15-13-29(14-16-31)12-5-4-11-28-25(33)32-19-17-30(18-20-32)21-7-2-1-3-8-21/h1-3,6-10H,4-5,11-20H2,(H,28,33)
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US Patent
 0.390n/an/an/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
Stably transfected HEK cells expressing the human D2-long and the D3 dopamine receptor were developed using the pIRESneo2 bicistronic expression vect...

J Med Chem 52: 1935-42 (2009)


BindingDB Entry DOI: 10.7270/Q2HD7Z0N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM301790
PNG
( N-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butyl)...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)N3CCN(CC3)c3ccccc3)CC2)c1Cl
Show InChI InChI=1S/C25H33Cl2N5O/c26-22-9-6-10-23(24(22)27)31-15-13-29(14-16-31)12-5-4-11-28-25(33)32-19-17-30(18-20-32)21-7-2-1-3-8-21/h1-3,6-10H,4-5,11-20H2,(H,28,33)
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 0.390n/an/an/an/an/an/an/an/a



Southern Research Institute

US Patent


Assay Description
The affinities of the target compounds were determined using radioligand binding experiments. All radioligand binding experiments were performed acco...

US Patent US9598387 (2017)


BindingDB Entry DOI: 10.7270/Q2QZ2D1Z
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50123279
PNG
(19-cyclopropylmethyl-6-(1H-1-pyrrolyl)-11-oxa-8,19...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-n1cccc1
Show InChI InChI=1S/C27H27N3O3/c31-20-6-5-17-12-21-27(32)13-18-11-19(29-8-1-2-9-29)14-28-23(18)25-26(27,22(17)24(20)33-25)7-10-30(21)15-16-3-4-16/h1-2,5-6,8-9,11,14,16,21,25,31-32H,3-4,7,10,12-13,15H2/t21-,25+,26+,27-/m1/s1
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 0.400n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM SNC-80 as the agonist ligand for delta-rec...

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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 0.410n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor was measured using [3H]DADLE

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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 0.410n/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


(Homo sapiens (Human))		BDBM50398759
PNG
(CHEMBL2179655)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC\C=C\c1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H31ClN2O3/c1-38-16-15-34-30-24-11-14-28(39)32(30)41-33(34)31-25(18-26(21-37-31)23-9-12-27(36)13-10-23)20-35(34,29(38)19-24)40-17-5-8-22-6-3-2-4-7-22/h2-14,18,21,29,33,39H,15-17,19-20H2,1H3/b8-5+/t29-,33+,34+,35-/m1/s1
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 0.410n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis

J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
BindingDB Entry DOI: 10.7270/Q2N87BX5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50065862
PNG
(22-cyclopropylmethyl-9-phenyl-14-oxa-11,22-diazahe...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2c(cccc2c1C[C@@]35O)-c1ccccc1
Show InChI InChI=1S/C32H30N2O3/c35-24-12-11-20-15-25-32(36)16-23-22-8-4-7-21(19-5-2-1-3-6-19)27(22)33-28(23)30-31(32,26(20)29(24)37-30)13-14-34(25)17-18-9-10-18/h1-8,11-12,18,25,30,33,35-36H,9-10,13-17H2/t25-,30?,31+,32-/m1/s1
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 0.460n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from morphine-insensitive Opioid receptor delta 1 (presence of 50 nM morphine) of rat brain membranes

J Med Chem 41: 2872-81 (1998)


Article DOI: 10.1021/jm980083i
BindingDB Entry DOI: 10.7270/Q24F1RFN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50545677
PNG
(CHEMBL4645508)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccnc(C)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C38H39N3O3/c1-24-18-27(13-15-39-24)30-19-29-21-38(43-17-5-8-25-6-3-2-4-7-25)32-20-28-11-12-31(42)35-33(28)37(38,36(44-35)34(29)40-22-30)14-16-41(32)23-26-9-10-26/h2-4,6-7,11-13,15,18-19,22,26,32,36,42H,5,8-10,14,16-17,20-21,23H2,1H3/t32-,36+,37+,38-/m1/s1
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<0.510n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...

J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50398758
PNG
(CHEMBL2179656)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OCCCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H33ClN2O3/c1-38-16-15-34-30-24-11-14-28(39)32(30)41-33(34)31-25(18-26(21-37-31)23-9-12-27(36)13-10-23)20-35(34,29(38)19-24)40-17-5-8-22-6-3-2-4-7-22/h2-4,6-7,9-14,18,21,29,33,39H,5,8,15-17,19-20H2,1H3/t29-,33+,34+,35-/m1/s1
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 0.540n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis

J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
BindingDB Entry DOI: 10.7270/Q2N87BX5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50065854
PNG
(22-cyclopropylmethyl-9-phenoxy-14-oxa-11,22-diazah...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2c(Oc4ccccc4)cccc2c1C[C@@]35O
Show InChI InChI=1S/C32H30N2O4/c35-23-12-11-19-15-25-32(36)16-22-21-7-4-8-24(37-20-5-2-1-3-6-20)27(21)33-28(22)30-31(32,26(19)29(23)38-30)13-14-34(25)17-18-9-10-18/h1-8,11-12,18,25,30,33,35-36H,9-10,13-17H2/t25-,30?,31+,32-/m1/s1
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 0.610n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from morphine-insensitive Opioid receptor delta 1 (presence of 50 nM morphine) of rat brain membranes

J Med Chem 41: 2872-81 (1998)


Article DOI: 10.1021/jm980083i
BindingDB Entry DOI: 10.7270/Q24F1RFN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123279
PNG
(19-cyclopropylmethyl-6-(1H-1-pyrrolyl)-11-oxa-8,19...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-n1cccc1
Show InChI InChI=1S/C27H27N3O3/c31-20-6-5-17-12-21-27(32)13-18-11-19(29-8-1-2-9-29)14-28-23(18)25-26(27,22(17)24(20)33-25)7-10-30(21)15-16-3-4-16/h1-2,5-6,8-9,11,14,16,21,25,31-32H,3-4,7,10,12-13,15H2/t21-,25+,26+,27-/m1/s1
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 0.640n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor was measured using [3H]DADLE

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50398760
PNG
(CHEMBL2179652)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OCCCc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C38H37ClN2O3/c39-30-13-10-26(11-14-30)29-19-28-21-38(43-18-4-7-24-5-2-1-3-6-24)32-20-27-12-15-31(42)35-33(27)37(38,36(44-35)34(28)40-22-29)16-17-41(32)23-25-8-9-25/h1-3,5-6,10-15,19,22,25,32,36,42H,4,7-9,16-18,20-21,23H2/t32-,36+,37+,38-/m1/s1
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 0.660n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells by scintillation counting analysis

J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
BindingDB Entry DOI: 10.7270/Q2N87BX5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50123274
PNG
(6-amino(imino)methylamino-19-cyclopropylmethyl-11-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cnc2-[#6@@H]3-[#8]-c4c5c(-[#6]-[#6@H]6-[#7](-[#6]-[#6]-7-[#6]-[#6]-7)-[#6]-[#6][C@@]35[C@@]6([#8])[#6]-c2c1)ccc4-[#8]
Show InChI InChI=1S/C24H27N5O3/c25-22(26)28-15-7-14-9-24(31)17-8-13-3-4-16(30)20-18(13)23(24,21(32-20)19(14)27-10-15)5-6-29(17)11-12-1-2-12/h3-4,7,10,12,17,21,30-31H,1-2,5-6,8-9,11H2,(H4,25,26,28)/t17-,21+,23+,24-/m1/s1
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 0.700n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was measured using [3H]U-69593

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50065854
PNG
(22-cyclopropylmethyl-9-phenoxy-14-oxa-11,22-diazah...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2c(Oc4ccccc4)cccc2c1C[C@@]35O
Show InChI InChI=1S/C32H30N2O4/c35-23-12-11-19-15-25-32(36)16-22-21-7-4-8-24(37-20-5-2-1-3-6-20)27(21)33-28(22)30-31(32,26(19)29(23)38-30)13-14-34(25)17-18-9-10-18/h1-8,11-12,18,25,30,33,35-36H,9-10,13-17H2/t25-,30?,31+,32-/m1/s1
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 0.710n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from Opioid receptor delta 1 of rat brain membranes (DAMGO quenching mu receptor)

J Med Chem 41: 2872-81 (1998)


Article DOI: 10.1021/jm980083i
BindingDB Entry DOI: 10.7270/Q24F1RFN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123273
PNG
(19-cyclopropylmethyl-(2S,10R)-11-oxa-8,19-diazahex...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncccc1C[C@@]35O
Show InChI InChI=1S/C23H24N2O3/c26-16-6-5-14-10-17-23(27)11-15-2-1-8-24-19(15)21-22(23,18(14)20(16)28-21)7-9-25(17)12-13-3-4-13/h1-2,5-6,8,13,17,21,26-27H,3-4,7,9-12H2/t17-,21+,22+,23-/m1/s1
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 0.780n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor was measured using [3H]DADLE

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123273
PNG
(19-cyclopropylmethyl-(2S,10R)-11-oxa-8,19-diazahex...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncccc1C[C@@]35O
Show InChI InChI=1S/C23H24N2O3/c26-16-6-5-14-10-17-23(27)11-15-2-1-8-24-19(15)21-22(23,18(14)20(16)28-21)7-9-25(17)12-13-3-4-13/h1-2,5-6,8,13,17,21,26-27H,3-4,7,9-12H2/t17-,21+,22+,23-/m1/s1
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 0.780n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


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

J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123273
PNG
(19-cyclopropylmethyl-(2S,10R)-11-oxa-8,19-diazahex...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncccc1C[C@@]35O
Show InChI InChI=1S/C23H24N2O3/c26-16-6-5-14-10-17-23(27)11-15-2-1-8-24-19(15)21-22(23,18(14)20(16)28-21)7-9-25(17)12-13-3-4-13/h1-2,5-6,8,13,17,21,26-27H,3-4,7,9-12H2/t17-,21+,22+,23-/m1/s1
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 0.780n/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
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50080459
PNG
(17-(Cyclopropyl-methyl) -6, 7-didehydro-3,14-dihyd...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccccc1
Show InChI InChI=1S/C29H28N2O3/c32-22-9-8-19-13-23-29(33)14-20-12-21(18-4-2-1-3-5-18)15-30-25(20)27-28(29,24(19)26(22)34-27)10-11-31(23)16-17-6-7-17/h1-5,8-9,12,15,17,23,27,32-33H,6-7,10-11,13-14,16H2/t23-,27?,28+,29-/m1/s1
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 0.870n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


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

J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM50582798
PNG
(CHEMBL5082323)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2ccnn2)c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F |r,c:9|
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 0.870n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50001196
PNG
(CHEMBL610522)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1cc(cnc21)-c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C29H28N2O3/c32-22-9-8-19-13-23-29(33)14-20-12-21(18-4-2-1-3-5-18)15-30-25(20)27-28(29,24(19)26(22)34-27)10-11-31(23)16-17-6-7-17/h1-5,8-9,12,15,17,23,27,32-33H,6-7,10-11,13-14,16H2/t23-,27+,28+,29-/m1/s1
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 0.870n/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


(Homo sapiens (Human))		BDBM50398750
PNG
(CHEMBL2179662)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)CCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H31ClN2O4/c1-38-16-15-34-30-23-10-13-27(39)32(30)41-33(34)31-24(17-25(20-37-31)22-8-11-26(36)12-9-22)19-35(34,28(38)18-23)42-29(40)14-7-21-5-3-2-4-6-21/h2-6,8-13,17,20,28,33,39H,7,14-16,18-19H2,1H3/t28-,33+,34+,35-/m1/s1
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 0.940n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis

J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
BindingDB Entry DOI: 10.7270/Q2N87BX5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50398750
PNG
(CHEMBL2179662)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)CCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H31ClN2O4/c1-38-16-15-34-30-23-10-13-27(39)32(30)41-33(34)31-24(17-25(20-37-31)22-8-11-26(36)12-9-22)19-35(34,28(38)18-23)42-29(40)14-7-21-5-3-2-4-6-21/h2-6,8-13,17,20,28,33,39H,7,14-16,18-19H2,1H3/t28-,33+,34+,35-/m1/s1
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 0.960n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis

J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
BindingDB Entry DOI: 10.7270/Q2N87BX5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50398751
PNG
(CHEMBL2179661)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)Cc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C34H29ClN2O4/c1-37-14-13-33-29-22-9-12-26(38)31(29)40-32(33)30-23(16-24(19-36-30)21-7-10-25(35)11-8-21)18-34(33,27(37)17-22)41-28(39)15-20-5-3-2-4-6-20/h2-12,16,19,27,32,38H,13-15,17-18H2,1H3/t27-,32+,33+,34-/m1/s1
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 0.970n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis

J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
BindingDB Entry DOI: 10.7270/Q2N87BX5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50398753
PNG
(CHEMBL2179658)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC(=O)Cc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C37H33ClN2O4/c38-28-11-8-24(9-12-28)27-17-26-19-37(44-31(42)16-22-4-2-1-3-5-22)30-18-25-10-13-29(41)34-32(25)36(37,35(43-34)33(26)39-20-27)14-15-40(30)21-23-6-7-23/h1-5,8-13,17,20,23,30,35,41H,6-7,14-16,18-19,21H2/t30-,35+,36+,37-/m1/s1
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 1n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis

J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
BindingDB Entry DOI: 10.7270/Q2N87BX5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50398758
PNG
(CHEMBL2179656)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OCCCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H33ClN2O3/c1-38-16-15-34-30-24-11-14-28(39)32(30)41-33(34)31-25(18-26(21-37-31)23-9-12-27(36)13-10-23)20-35(34,29(38)19-24)40-17-5-8-22-6-3-2-4-7-22/h2-4,6-7,9-14,18,21,29,33,39H,5,8,15-17,19-20H2,1H3/t29-,33+,34+,35-/m1/s1
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 1n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis

J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
BindingDB Entry DOI: 10.7270/Q2N87BX5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50123274
PNG
(6-amino(imino)methylamino-19-cyclopropylmethyl-11-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cnc2-[#6@@H]3-[#8]-c4c5c(-[#6]-[#6@H]6-[#7](-[#6]-[#6]-7-[#6]-[#6]-7)-[#6]-[#6][C@@]35[C@@]6([#8])[#6]-c2c1)ccc4-[#8]
Show InChI InChI=1S/C24H27N5O3/c25-22(26)28-15-7-14-9-24(31)17-8-13-3-4-16(30)20-18(13)23(24,21(32-20)19(14)27-10-15)5-6-29(17)11-12-1-2-12/h3-4,7,10,12,17,21,30-31H,1-2,5-6,8-9,11H2,(H4,25,26,28)/t17-,21+,23+,24-/m1/s1
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 1n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM U69,593 as the agonist ligand for kappa-re...

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50545677
PNG
(CHEMBL4645508)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccnc(C)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C38H39N3O3/c1-24-18-27(13-15-39-24)30-19-29-21-38(43-17-5-8-25-6-3-2-4-7-25)32-20-28-11-12-31(42)35-33(28)37(38,36(44-35)34(29)40-22-30)14-16-41(32)23-26-9-10-26/h2-4,6-7,11-13,15,18-19,22,26,32,36,42H,5,8-10,14,16-17,20-21,23H2,1H3/t32-,36+,37+,38-/m1/s1
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 1.10n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bindin...

J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM50582795
PNG
(CHEMBL5081455)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2ccnn2)c2cc(ccn2)-c2c(NC1=O)cnn2C1CC1 |r,c:9|
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 1.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50398759
PNG
(CHEMBL2179655)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC\C=C\c1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H31ClN2O3/c1-38-16-15-34-30-24-11-14-28(39)32(30)41-33(34)31-25(18-26(21-37-31)23-9-12-27(36)13-10-23)20-35(34,29(38)19-24)40-17-5-8-22-6-3-2-4-7-22/h2-14,18,21,29,33,39H,15-17,19-20H2,1H3/b8-5+/t29-,33+,34+,35-/m1/s1
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 1.10n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis

J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
BindingDB Entry DOI: 10.7270/Q2N87BX5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50140900
PNG
(6-(2,4-dichlorophenyl)-19-methyl-(2R,10R)-11-oxa-8...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccc(Cl)cc1Cl)ccc5O |TLB:28:9:12:1.3.2|
Show InChI InChI=1S/C26H22Cl2N2O2/c1-30-7-6-26-18-9-14-8-15(17-4-3-16(27)11-19(17)28)12-29-23(14)25(26)32-24-21(31)5-2-13(22(24)26)10-20(18)30/h2-5,8,11-12,18,20,25,31H,6-7,9-10H2,1H3/t18-,20?,25-,26-/m0/s1
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 1.10n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


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

J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50140900
PNG
(6-(2,4-dichlorophenyl)-19-methyl-(2R,10R)-11-oxa-8...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccc(Cl)cc1Cl)ccc5O |TLB:28:9:12:1.3.2|
Show InChI InChI=1S/C26H22Cl2N2O2/c1-30-7-6-26-18-9-14-8-15(17-4-3-16(27)11-19(17)28)12-29-23(14)25(26)32-24-21(31)5-2-13(22(24)26)10-20(18)30/h2-5,8,11-12,18,20,25,31H,6-7,9-10H2,1H3/t18-,20?,25-,26-/m0/s1
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 1.10n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Apparent antagonist activity determined by measuring the ability to inhibit stimulation of [35S]GTP-gamma-S, binding to opioid receptor delta 1 in gu...

J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123271
PNG
(19-cyclopropylmethyl-6-bromo-11-oxa-8,19-diazahexa...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(Br)cc1C[C@@]35O
Show InChI InChI=1S/C23H23BrN2O3/c24-15-7-14-9-23(28)17-8-13-3-4-16(27)20-18(13)22(23,21(29-20)19(14)25-10-15)5-6-26(17)11-12-1-2-12/h3-4,7,10,12,17,21,27-28H,1-2,5-6,8-9,11H2/t17-,21+,22+,23-/m1/s1
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 1.20n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor was measured using [3H]DADLE

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50398760
PNG
(CHEMBL2179652)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OCCCc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C38H37ClN2O3/c39-30-13-10-26(11-14-30)29-19-28-21-38(43-18-4-7-24-5-2-1-3-6-24)32-20-27-12-15-31(42)35-33(27)37(38,36(44-35)34(28)40-22-29)16-17-41(32)23-25-8-9-25/h1-3,5-6,10-15,19,22,25,32,36,42H,4,7-9,16-18,20-21,23H2/t32-,36+,37+,38-/m1/s1
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 1.20n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis

J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
BindingDB Entry DOI: 10.7270/Q2N87BX5
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM50582794
PNG
(CHEMBL5077709)
Show SMILES CCn1ncc2NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3cc(Cl)ccc3-n3ccnn3)c3cc(ccn3)-c12 |r,c:18|
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 1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50398753
PNG
(CHEMBL2179658)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC(=O)Cc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C37H33ClN2O4/c38-28-11-8-24(9-12-28)27-17-26-19-37(44-31(42)16-22-4-2-1-3-5-22)30-18-25-10-13-29(41)34-32(25)36(37,35(43-34)33(26)39-20-27)14-15-40(30)21-23-6-7-23/h1-5,8-13,17,20,23,30,35,41H,6-7,14-16,18-19,21H2/t30-,35+,36+,37-/m1/s1
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 1.30n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis

J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
BindingDB Entry DOI: 10.7270/Q2N87BX5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50123275
PNG
(19-cyclopropylmethyl-6-benzylamino-11-oxa-8,19-dia...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(NCc2ccccc2)cc1C[C@@]35O
Show InChI InChI=1S/C30H31N3O3/c34-23-9-8-20-13-24-30(35)14-21-12-22(31-15-18-4-2-1-3-5-18)16-32-26(21)28-29(30,25(20)27(23)36-28)10-11-33(24)17-19-6-7-19/h1-5,8-9,12,16,19,24,28,31,34-35H,6-7,10-11,13-15,17H2/t24-,28+,29+,30-/m1/s1
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 1.30n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor was measured using [3H]DADLE

Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50398751
PNG
(CHEMBL2179661)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)Cc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C34H29ClN2O4/c1-37-14-13-33-29-22-9-12-26(38)31(29)40-32(33)30-23(16-24(19-36-30)21-7-10-25(35)11-8-21)18-34(33,27(37)17-22)41-28(39)15-20-5-3-2-4-6-20/h2-12,16,19,27,32,38H,13-15,17-18H2,1H3/t27-,32+,33+,34-/m1/s1
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 1.40n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis

J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
BindingDB Entry DOI: 10.7270/Q2N87BX5
More data for this
Ligand-Target Pair
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