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Compile Data Set for Download or QSAR

Found 597 hits with Last Name = 'watanabe' and Initial = 'a'   
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
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50016326
PNG
(2-{4-[(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidin...)
Show SMILES Cc1c(CNc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C21H23N7O5/c1-10-12(9-25-18-16(10)17(22)27-21(23)28-18)8-24-13-4-2-11(3-5-13)19(31)26-14(20(32)33)6-7-15(29)30/h2-5,9,14,24H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,25,27,28)
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0n/an/an/an/an/an/an/an/a



Cornell University

Curated by ChEMBL




J Med Chem 31: 1209-15 (1988)


BindingDB Entry DOI: 10.7270/Q2930S6N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM66082
PNG
((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
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0n/an/an/an/an/an/an/an/a



Cornell University

Curated by ChEMBL




J Med Chem 31: 1209-15 (1988)


BindingDB Entry DOI: 10.7270/Q2930S6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023681
PNG
(2-{4-[(2,4-Diamino-5,7-dimethyl-pyrido[2,3-d]pyrim...)
Show SMILES Cc1nc2nc(N)nc(N)c2c(C)c1CNc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25N7O5/c1-10-14(11(2)26-19-17(10)18(23)28-22(24)29-19)9-25-13-5-3-12(4-6-13)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,15,25H,7-9H2,1-2H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,26,28,29)
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0.00201n/an/an/an/an/an/an/an/a



Cornell University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells


J Med Chem 31: 1209-15 (1988)


BindingDB Entry DOI: 10.7270/Q2930S6N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023680
PNG
(2-{4-[(2,4-Diamino-7-phenyl-pyrido[2,3-d]pyrimidin...)
Show SMILES Nc1nc(N)c2cc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c(nc2n1)-c1ccccc1
Show InChI InChI=1S/C26H25N7O5/c27-22-18-12-16(21(14-4-2-1-3-5-14)31-23(18)33-26(28)32-22)13-29-17-8-6-15(7-9-17)24(36)30-19(25(37)38)10-11-20(34)35/h1-9,12,19,29H,10-11,13H2,(H,30,36)(H,34,35)(H,37,38)(H4,27,28,31,32,33)
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>0.00400n/an/an/an/an/an/an/an/a



Cornell University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells


J Med Chem 31: 1209-15 (1988)


BindingDB Entry DOI: 10.7270/Q2930S6N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023682
PNG
(2-{4-[(2,4-Diamino-5-methyl-7-phenyl-pyrido[2,3-d]...)
Show SMILES Cc1c(CNc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(nc2nc(N)nc(N)c12)-c1ccccc1
Show InChI InChI=1S/C27H27N7O5/c1-14-18(22(15-5-3-2-4-6-15)32-24-21(14)23(28)33-27(29)34-24)13-30-17-9-7-16(8-10-17)25(37)31-19(26(38)39)11-12-20(35)36/h2-10,19,30H,11-13H2,1H3,(H,31,37)(H,35,36)(H,38,39)(H4,28,29,32,33,34)
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>0.00400n/an/an/an/an/an/an/an/a



Cornell University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells


J Med Chem 31: 1209-15 (1988)


BindingDB Entry DOI: 10.7270/Q2930S6N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023683
PNG
(2-{4-[(2,4-Diamino-7-methyl-pyrido[2,3-d]pyrimidin...)
Show SMILES Cc1nc2nc(N)nc(N)c2cc1CNc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H23N7O5/c1-10-12(8-14-17(22)27-21(23)28-18(14)25-10)9-24-13-4-2-11(3-5-13)19(31)26-15(20(32)33)6-7-16(29)30/h2-5,8,15,24H,6-7,9H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,25,27,28)
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>0.00400n/an/an/an/an/an/an/an/a



Cornell University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells


J Med Chem 31: 1209-15 (1988)


BindingDB Entry DOI: 10.7270/Q2930S6N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023684
PNG
(2-{4-[(2,4-Diamino-7-methyl-5-phenyl-pyrido[2,3-d]...)
Show SMILES Cc1nc2nc(N)nc(N)c2c(-c2ccccc2)c1CNc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C27H27N7O5/c1-14-18(21(15-5-3-2-4-6-15)22-23(28)33-27(29)34-24(22)31-14)13-30-17-9-7-16(8-10-17)25(37)32-19(26(38)39)11-12-20(35)36/h2-10,19,30H,11-13H2,1H3,(H,32,37)(H,35,36)(H,38,39)(H4,28,29,31,33,34)
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>0.00400n/an/an/an/an/an/an/an/a



Cornell University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells


J Med Chem 31: 1209-15 (1988)


BindingDB Entry DOI: 10.7270/Q2930S6N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336669
PNG
(CHEMBL1672477 | N-[(6beta,14beta-Epoxy-3-hydroxy-1...)
Show SMILES CN1CC[C@]23C[C@]4(CNC(=O)c5ccccc5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:19:29.23.22|
Show InChI InChI=1S/C25H28N2O3/c1-27-12-11-24-15-23(16-26-22(29)17-5-3-2-4-6-17)9-10-25(24,30-23)21(27)13-18-7-8-19(28)14-20(18)24/h2-8,14,21,28H,9-13,15-16H2,1H3,(H,26,29)/t21-,23+,24-,25-/m1/s1
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0.0522n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336672
PNG
(CHEMBL1672473 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Oc1cccc(c1)C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
Show InChI InChI=1S/C28H32N2O4/c31-21-3-1-2-20(12-21)25(33)29-17-26-8-9-28(34-26)24-13-19-6-7-22(32)14-23(19)27(28,16-26)10-11-30(24)15-18-4-5-18/h1-3,6-7,12,14,18,24,31-32H,4-5,8-11,13,15-17H2,(H,29,33)/t24-,26+,27-,28-/m1/s1
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0.0754n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336674
PNG
(CHEMBL1672481 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)c6cccc(F)c6)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
Show InChI InChI=1S/C28H31FN2O3/c29-21-3-1-2-20(12-21)25(33)30-17-26-8-9-28(34-26)24-13-19-6-7-22(32)14-23(19)27(28,16-26)10-11-31(24)15-18-4-5-18/h1-3,6-7,12,14,18,24,32H,4-5,8-11,13,15-17H2,(H,30,33)/t24-,26+,27-,28-/m1/s1
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0.0812n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336664
PNG
((2E)-N-[(17-Cyclopropylmethyl-6beta,14beta-epoxy-3...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)\C=C\c6ccoc6)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
Show InChI InChI=1S/C28H32N2O4/c31-22-5-4-21-13-24-28-9-8-26(34-28,18-29-25(32)6-3-20-7-12-33-16-20)17-27(28,23(21)14-22)10-11-30(24)15-19-1-2-19/h3-7,12,14,16,19,24,31H,1-2,8-11,13,15,17-18H2,(H,29,32)/b6-3+/t24-,26+,27-,28-/m1/s1
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0.0828n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336677
PNG
(CHEMBL1672484 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)CCc6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:31:33.4.5|
Show InChI InChI=1S/C30H36N2O3/c33-24-10-9-23-16-26-30-13-12-28(35-30,20-31-27(34)11-8-21-4-2-1-3-5-21)19-29(30,25(23)17-24)14-15-32(26)18-22-6-7-22/h1-5,9-10,17,22,26,33H,6-8,11-16,18-20H2,(H,31,34)/t26-,28+,29-,30-/m1/s1
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0.0833n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336673
PNG
(CHEMBL1672480 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6O)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
Show InChI InChI=1S/C28H32N2O4/c31-20-8-7-19-13-24-28-10-9-26(34-28,17-29-25(33)21-3-1-2-4-23(21)32)16-27(28,22(19)14-20)11-12-30(24)15-18-5-6-18/h1-4,7-8,14,18,24,31-32H,5-6,9-13,15-17H2,(H,29,33)/t24-,26+,27-,28-/m1/s1
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0.0880n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50277471
PNG
((1R,9R,10S,13R)-17-(cyclopropylmethyl)-13-(hydroxy...)
Show SMILES OC[C@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:21:20:5:15.9.8|
Show InChI InChI=1S/C21H27NO3/c23-13-19-5-6-21(25-19)18-9-15-3-4-16(24)10-17(15)20(21,12-19)7-8-22(18)11-14-1-2-14/h3-4,10,14,18,23-24H,1-2,5-9,11-13H2/t18-,19-,20-,21-/m1/s1
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0.102n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem Lett 19: 2416-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.068
BindingDB Entry DOI: 10.7270/Q2C24XBW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336670
PNG
(CHEMBL1672478 | N-[(6beta,14beta-Epoxy-3-hydroxy-1...)
Show SMILES CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5ccccc5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc31 |r,THB:3:4:22:32.26.25|
Show InChI InChI=1S/C28H34N2O3/c1-19(2)16-30-13-12-27-17-26(18-29-25(32)20-6-4-3-5-7-20)10-11-28(27,33-26)24(30)14-21-8-9-22(31)15-23(21)27/h3-9,15,19,24,31H,10-14,16-18H2,1-2H3,(H,29,32)/t24-,26+,27-,28-/m1/s1
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0.108n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336667
PNG
(CHEMBL1672470 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Cc1ccccc1C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
Show InChI InChI=1S/C29H34N2O3/c1-19-4-2-3-5-23(19)26(33)30-18-27-10-11-29(34-27)25-14-21-8-9-22(32)15-24(21)28(29,17-27)12-13-31(25)16-20-6-7-20/h2-5,8-9,15,20,25,32H,6-7,10-14,16-18H2,1H3,(H,30,33)/t25-,27+,28-,29-/m1/s1
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0.109n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336674
PNG
(CHEMBL1672481 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)c6cccc(F)c6)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
Show InChI InChI=1S/C28H31FN2O3/c29-21-3-1-2-20(12-21)25(33)30-17-26-8-9-28(34-26)24-13-19-6-7-22(32)14-23(19)27(28,16-26)10-11-31(24)15-18-4-5-18/h1-3,6-7,12,14,18,24,32H,4-5,8-11,13,15-17H2,(H,30,33)/t24-,26+,27-,28-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336679
PNG
(CHEMBL1672486 | N-[(6beta,14beta-Epoxy-3-hydroxy-1...)
Show SMILES CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5cccc(O)c5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc31 |r,THB:3:4:23:33.27.26|
Show InChI InChI=1S/C28H34N2O4/c1-18(2)15-30-11-10-27-16-26(17-29-25(33)20-4-3-5-21(31)12-20)8-9-28(27,34-26)24(30)13-19-6-7-22(32)14-23(19)27/h3-7,12,14,18,24,31-32H,8-11,13,15-17H2,1-2H3,(H,29,33)/t24-,26+,27-,28-/m1/s1
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0.116n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336671
PNG
(CHEMBL1672479 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Oc1ccc(cc1)C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
Show InChI InChI=1S/C28H32N2O4/c31-21-6-3-19(4-7-21)25(33)29-17-26-9-10-28(34-26)24-13-20-5-8-22(32)14-23(20)27(28,16-26)11-12-30(24)15-18-1-2-18/h3-8,14,18,24,31-32H,1-2,9-13,15-17H2,(H,29,33)/t24-,26+,27-,28-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336667
PNG
(CHEMBL1672470 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Cc1ccccc1C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
Show InChI InChI=1S/C29H34N2O3/c1-19-4-2-3-5-23(19)26(33)30-18-27-10-11-29(34-27)25-14-21-8-9-22(32)15-24(21)28(29,17-27)12-13-31(25)16-20-6-7-20/h2-5,8-9,15,20,25,32H,6-7,10-14,16-18H2,1H3,(H,30,33)/t25-,27+,28-,29-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336672
PNG
(CHEMBL1672473 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Oc1cccc(c1)C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
Show InChI InChI=1S/C28H32N2O4/c31-21-3-1-2-20(12-21)25(33)29-17-26-8-9-28(34-26)24-13-19-6-7-22(32)14-23(19)27(28,16-26)10-11-30(24)15-18-4-5-18/h1-3,6-7,12,14,18,24,31-32H,4-5,8-11,13,15-17H2,(H,29,33)/t24-,26+,27-,28-/m1/s1
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0.121n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336663
PNG
(2-Phenyl-N-[(17-cyclopropylmethyl-6beta,14beta-epo...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)Cc6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
Show InChI InChI=1S/C29H34N2O3/c32-23-9-8-22-15-25-29-11-10-27(34-29,19-30-26(33)14-20-4-2-1-3-5-20)18-28(29,24(22)16-23)12-13-31(25)17-21-6-7-21/h1-5,8-9,16,21,25,32H,6-7,10-15,17-19H2,(H,30,33)/t25-,27+,28-,29-/m1/s1
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0.124n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336666
PNG
(CHEMBL1672468 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Cc1cccc(c1)C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
Show InChI InChI=1S/C29H34N2O3/c1-19-3-2-4-22(13-19)26(33)30-18-27-9-10-29(34-27)25-14-21-7-8-23(32)15-24(21)28(29,17-27)11-12-31(25)16-20-5-6-20/h2-4,7-8,13,15,20,25,32H,5-6,9-12,14,16-18H2,1H3,(H,30,33)/t25-,27+,28-,29-/m1/s1
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0.126n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336665
PNG
(CHEMBL1672469 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Cc1ccc(cc1)C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
Show InChI InChI=1S/C29H34N2O3/c1-19-2-6-21(7-3-19)26(33)30-18-27-10-11-29(34-27)25-14-22-8-9-23(32)15-24(22)28(29,17-27)12-13-31(25)16-20-4-5-20/h2-3,6-9,15,20,25,32H,4-5,10-14,16-18H2,1H3,(H,30,33)/t25-,27+,28-,29-/m1/s1
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0.129n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336665
PNG
(CHEMBL1672469 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Cc1ccc(cc1)C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
Show InChI InChI=1S/C29H34N2O3/c1-19-2-6-21(7-3-19)26(33)30-18-27-10-11-29(34-27)25-14-22-8-9-23(32)15-24(22)28(29,17-27)12-13-31(25)16-20-4-5-20/h2-3,6-9,15,20,25,32H,4-5,10-14,16-18H2,1H3,(H,30,33)/t25-,27+,28-,29-/m1/s1
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0.132n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336663
PNG
(2-Phenyl-N-[(17-cyclopropylmethyl-6beta,14beta-epo...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)Cc6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
Show InChI InChI=1S/C29H34N2O3/c32-23-9-8-22-15-25-29-11-10-27(34-29,19-30-26(33)14-20-4-2-1-3-5-20)18-28(29,24(22)16-23)12-13-31(25)17-21-6-7-21/h1-5,8-9,16,21,25,32H,6-7,10-15,17-19H2,(H,30,33)/t25-,27+,28-,29-/m1/s1
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0.132n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336683
PNG
(CHEMBL1672490 | N-[(17-Cyclobutylmethyl-6beta,14be...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
Show InChI InChI=1S/C29H34N2O3/c32-23-10-9-22-15-25-29-12-11-27(34-29,19-30-26(33)21-7-2-1-3-8-21)18-28(29,24(22)16-23)13-14-31(25)17-20-5-4-6-20/h1-3,7-10,16,20,25,32H,4-6,11-15,17-19H2,(H,30,33)/t25-,27+,28-,29-/m1/s1
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0.133n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336661
PNG
(CHEMBL1672475 | N-{[(1R,9R,10S,13S)-17-(cyclopropy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:29:31.4.5|
Show InChI InChI=1S/C28H32N2O3/c31-22-9-8-21-14-24-28-11-10-26(33-28,18-29-25(32)20-4-2-1-3-5-20)17-27(28,23(21)15-22)12-13-30(24)16-19-6-7-19/h1-5,8-9,15,19,24,31H,6-7,10-14,16-18H2,(H,29,32)/t24-,26+,27-,28-/m1/s1
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0.134n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336661
PNG
(CHEMBL1672475 | N-{[(1R,9R,10S,13S)-17-(cyclopropy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:29:31.4.5|
Show InChI InChI=1S/C28H32N2O3/c31-22-9-8-21-14-24-28-11-10-26(33-28,18-29-25(32)20-4-2-1-3-5-20)17-27(28,23(21)15-22)12-13-30(24)16-19-6-7-19/h1-5,8-9,15,19,24,31H,6-7,10-14,16-18H2,(H,29,32)/t24-,26+,27-,28-/m1/s1
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0.135n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336683
PNG
(CHEMBL1672490 | N-[(17-Cyclobutylmethyl-6beta,14be...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
Show InChI InChI=1S/C29H34N2O3/c32-23-10-9-22-15-25-29-12-11-27(34-29,19-30-26(33)21-7-2-1-3-8-21)18-28(29,24(22)16-23)13-14-31(25)17-20-5-4-6-20/h1-3,7-10,16,20,25,32H,4-6,11-15,17-19H2,(H,30,33)/t25-,27+,28-,29-/m1/s1
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0.138n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336680
PNG
(CHEMBL1672487 | N-[(6beta,14beta-Epoxy-3-hydroxy-1...)
Show SMILES CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5ccccc5O)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc31 |r,THB:3:4:23:33.27.26|
Show InChI InChI=1S/C28H34N2O4/c1-18(2)15-30-12-11-27-16-26(17-29-25(33)21-5-3-4-6-23(21)32)9-10-28(27,34-26)24(30)13-19-7-8-20(31)14-22(19)27/h3-8,14,18,24,31-32H,9-13,15-17H2,1-2H3,(H,29,33)/t24-,26+,27-,28-/m1/s1
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0.141n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50277471
PNG
((1R,9R,10S,13R)-17-(cyclopropylmethyl)-13-(hydroxy...)
Show SMILES OC[C@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:21:20:5:15.9.8|
Show InChI InChI=1S/C21H27NO3/c23-13-19-5-6-21(25-19)18-9-15-3-4-16(24)10-17(15)20(21,12-19)7-8-22(18)11-14-1-2-14/h3-4,10,14,18,23-24H,1-2,5-9,11-13H2/t18-,19-,20-,21-/m1/s1
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0.145n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem Lett 19: 2416-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.068
BindingDB Entry DOI: 10.7270/Q2C24XBW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336664
PNG
((2E)-N-[(17-Cyclopropylmethyl-6beta,14beta-epoxy-3...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)\C=C\c6ccoc6)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
Show InChI InChI=1S/C28H32N2O4/c31-22-5-4-21-13-24-28-9-8-26(34-28,18-29-25(32)6-3-20-7-12-33-16-20)17-27(28,23(21)14-22)10-11-30(24)15-19-1-2-19/h3-7,12,14,16,19,24,31H,1-2,8-11,13,15,17-18H2,(H,29,32)/b6-3+/t24-,26+,27-,28-/m1/s1
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0.147n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336673
PNG
(CHEMBL1672480 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6O)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
Show InChI InChI=1S/C28H32N2O4/c31-20-8-7-19-13-24-28-10-9-26(34-28,17-29-25(33)21-3-1-2-4-23(21)32)16-27(28,22(19)14-20)11-12-30(24)15-18-5-6-18/h1-4,7-8,14,18,24,31-32H,5-6,9-13,15-17H2,(H,29,33)/t24-,26+,27-,28-/m1/s1
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0.147n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336666
PNG
(CHEMBL1672468 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Cc1cccc(c1)C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
Show InChI InChI=1S/C29H34N2O3/c1-19-3-2-4-22(13-19)26(33)30-18-27-9-10-29(34-27)25-14-21-7-8-23(32)15-24(21)28(29,17-27)11-12-31(25)16-20-5-6-20/h2-4,7-8,13,15,20,25,32H,5-6,9-12,14,16-18H2,1H3,(H,30,33)/t25-,27+,28-,29-/m1/s1
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0.156n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336677
PNG
(CHEMBL1672484 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)CCc6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:31:33.4.5|
Show InChI InChI=1S/C30H36N2O3/c33-24-10-9-23-16-26-30-13-12-28(35-30,20-31-27(34)11-8-21-4-2-1-3-5-21)19-29(30,25(23)17-24)14-15-32(26)18-22-6-7-22/h1-5,9-10,17,22,26,33H,6-8,11-16,18-20H2,(H,31,34)/t26-,28+,29-,30-/m1/s1
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0.182n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336662
PNG
(CHEMBL1672474 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES CN(C[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1)C(=O)c1ccccc1 |r,THB:22:21:6:16.10.9|
Show InChI InChI=1S/C29H34N2O3/c1-30(26(33)21-5-3-2-4-6-21)19-27-11-12-29(34-27)25-15-22-9-10-23(32)16-24(22)28(29,18-27)13-14-31(25)17-20-7-8-20/h2-6,9-10,16,20,25,32H,7-8,11-15,17-19H2,1H3/t25-,27+,28-,29-/m1/s1
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0.188n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50325534
PNG
(CHEMBL267495 | nalfurafine)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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0.225n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50274257
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccco1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)9-7-19-3-2-14-34-19)20-10-11-28(33)22-15-18-6-8-21(31)25-24(18)27(28,26(20)35-25)12-13-30(22)16-17-4-5-17/h2-3,6-9,14,17,20,22,26,31,33H,4-5,10-13,15-16H2,1H3/b9-7+/t20-,22-,26+,27+,28-/m1/s1
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0.225n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from guinea pig cerebellum kappa opioid receptor


Bioorg Med Chem Lett 20: 121-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.027
BindingDB Entry DOI: 10.7270/Q2GX4CJH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336669
PNG
(CHEMBL1672477 | N-[(6beta,14beta-Epoxy-3-hydroxy-1...)
Show SMILES CN1CC[C@]23C[C@]4(CNC(=O)c5ccccc5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:19:29.23.22|
Show InChI InChI=1S/C25H28N2O3/c1-27-12-11-24-15-23(16-26-22(29)17-5-3-2-4-6-17)9-10-25(24,30-23)21(27)13-18-7-8-19(28)14-20(18)24/h2-8,14,21,28H,9-13,15-16H2,1H3,(H,26,29)/t21-,23+,24-,25-/m1/s1
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0.228n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50277470
PNG
((1R,9R,10S,13R)-18-(cyclopropylmethyl)-4-hydroxy-1...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)[C@H]5CC[C@@]34O5)c2c1 |r,THB:8:7:21:23.4.5|
Show InChI InChI=1S/C21H25NO3/c23-15-4-3-14-9-19-21-6-5-18(25-21)17(24)11-20(21,16(14)10-15)7-8-22(19)12-13-1-2-13/h3-4,10,13,18-19,23H,1-2,5-9,11-12H2/t18-,19-,20-,21-/m1/s1
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0.233n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem Lett 19: 2416-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.068
BindingDB Entry DOI: 10.7270/Q2C24XBW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336676
PNG
(CHEMBL1672483 | N-[(6beta,14beta-Epoxy-3-hydroxy-1...)
Show SMILES Oc1ccc2C[C@H]3N(CCc4ccccc4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:33:35.4.5|
Show InChI InChI=1S/C32H34N2O3/c35-26-12-11-25-19-28-32-15-14-30(37-32,22-33-29(36)24-9-5-2-6-10-24)21-31(32,27(25)20-26)16-18-34(28)17-13-23-7-3-1-4-8-23/h1-12,20,28,35H,13-19,21-22H2,(H,33,36)/t28-,30+,31-,32-/m1/s1
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0.243n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336668
PNG
(CHEMBL1672476 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES CN(C[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1)C(=O)c1ccc(C)cc1 |r,THB:22:21:6:16.10.9|
Show InChI InChI=1S/C30H36N2O3/c1-20-3-7-22(8-4-20)27(34)31(2)19-28-11-12-30(35-28)26-15-23-9-10-24(33)16-25(23)29(30,18-28)13-14-32(26)17-21-5-6-21/h3-4,7-10,16,21,26,33H,5-6,11-15,17-19H2,1-2H3/t26-,28+,29-,30-/m1/s1
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0.270n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336670
PNG
(CHEMBL1672478 | N-[(6beta,14beta-Epoxy-3-hydroxy-1...)
Show SMILES CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5ccccc5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc31 |r,THB:3:4:22:32.26.25|
Show InChI InChI=1S/C28H34N2O3/c1-19(2)16-30-13-12-27-17-26(18-29-25(32)20-6-4-3-5-7-20)10-11-28(27,33-26)24(30)14-21-8-9-22(31)15-23(21)27/h3-9,15,19,24,31H,10-14,16-18H2,1-2H3,(H,29,32)/t24-,26+,27-,28-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336662
PNG
(CHEMBL1672474 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES CN(C[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1)C(=O)c1ccccc1 |r,THB:22:21:6:16.10.9|
Show InChI InChI=1S/C29H34N2O3/c1-30(26(33)21-5-3-2-4-6-21)19-27-11-12-29(34-27)25-15-22-9-10-23(32)16-24(22)28(29,18-27)13-14-31(25)17-20-7-8-20/h2-6,9-10,16,20,25,32H,7-8,11-15,17-19H2,1H3/t25-,27+,28-,29-/m1/s1
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0.326n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336671
PNG
(CHEMBL1672479 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Oc1ccc(cc1)C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
Show InChI InChI=1S/C28H32N2O4/c31-21-6-3-19(4-7-21)25(33)29-17-26-9-10-28(34-26)24-13-20-5-8-22(32)14-23(20)27(28,16-26)11-12-30(24)15-18-1-2-18/h3-8,14,18,24,31-32H,1-2,9-13,15-17H2,(H,29,33)/t24-,26+,27-,28-/m1/s1
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0.384n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336679
PNG
(CHEMBL1672486 | N-[(6beta,14beta-Epoxy-3-hydroxy-1...)
Show SMILES CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5cccc(O)c5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc31 |r,THB:3:4:23:33.27.26|
Show InChI InChI=1S/C28H34N2O4/c1-18(2)15-30-11-10-27-16-26(17-29-25(33)20-4-3-5-21(31)12-20)8-9-28(27,34-26)24(30)13-19-6-7-22(32)14-23(19)27/h3-7,12,14,18,24,31-32H,8-11,13,15-17H2,1-2H3,(H,29,33)/t24-,26+,27-,28-/m1/s1
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0.389n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50277470
PNG
((1R,9R,10S,13R)-18-(cyclopropylmethyl)-4-hydroxy-1...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)[C@H]5CC[C@@]34O5)c2c1 |r,THB:8:7:21:23.4.5|
Show InChI InChI=1S/C21H25NO3/c23-15-4-3-14-9-19-21-6-5-18(25-21)17(24)11-20(21,16(14)10-15)7-8-22(19)12-13-1-2-13/h3-4,10,13,18-19,23H,1-2,5-9,11-12H2/t18-,19-,20-,21-/m1/s1
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0.397n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem Lett 19: 2416-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.068
BindingDB Entry DOI: 10.7270/Q2C24XBW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336687
PNG
(CHEMBL1672494 | N-[(17-Benzyl-6beta,14beta-epoxy-3...)
Show SMILES Oc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]4(C[C@]5(CNC(=O)c6cccc(F)c6)CC[C@@]34O5)c2c1 |r,THB:8:7:33:35.4.5|
Show InChI InChI=1S/C31H31FN2O3/c32-24-8-4-7-23(15-24)28(36)33-20-29-11-12-31(37-29)27-16-22-9-10-25(35)17-26(22)30(31,19-29)13-14-34(27)18-21-5-2-1-3-6-21/h1-10,15,17,27,35H,11-14,16,18-20H2,(H,33,36)/t27-,29+,30-,31-/m1/s1
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0.438n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336680
PNG
(CHEMBL1672487 | N-[(6beta,14beta-Epoxy-3-hydroxy-1...)
Show SMILES CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5ccccc5O)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc31 |r,THB:3:4:23:33.27.26|
Show InChI InChI=1S/C28H34N2O4/c1-18(2)15-30-12-11-27-16-26(17-29-25(33)21-5-3-4-6-23(21)32)9-10-28(27,34-26)24(30)13-19-7-8-20(31)14-22(19)27/h3-8,14,18,24,31-32H,9-13,15-17H2,1-2H3,(H,29,33)/t24-,26+,27-,28-/m1/s1
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0.466n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
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