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Compile Data Set for Download or QSAR

Found 683 hits with Last Name = 'kuroda' and Initial = 't'   
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
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50143784
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-2-butyl-7-[2-((...)
Show SMILES CCCCc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1C[C@H](C)C(O)=O)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H33NO7/c1-4-5-6-20-8-10-23-26(18-7-12-24-25(15-18)39-16-38-24)28(31(35)36)27(29(23)32-20)22-11-9-21(37-3)14-19(22)13-17(2)30(33)34/h7-12,14-15,17,26-28H,4-6,13,16H2,1-3H3,(H,33,34)(H,35,36)/t17-,26-,27-,28+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Banyu Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1262-70 (1999)


BindingDB Entry DOI: 10.7270/Q2Q52N5Q
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50143784
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-2-butyl-7-[2-((...)
Show SMILES CCCCc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1C[C@H](C)C(O)=O)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H33NO7/c1-4-5-6-20-8-10-23-26(18-7-12-24-25(15-18)39-16-38-24)28(31(35)36)27(29(23)32-20)22-11-9-21(37-3)14-19(22)13-17(2)30(33)34/h7-12,14-15,17,26-28H,4-6,13,16H2,1-3H3,(H,33,34)(H,35,36)/t17-,26-,27-,28+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Banyu Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1262-70 (1999)


BindingDB Entry DOI: 10.7270/Q2Q52N5Q
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244370
PNG
((7R,9S)-7-((4-(2,6-dichlorophenyl)piperidin-1-yl)m...)
Show SMILES O[C@H]1C[C@H](CN2CCC(CC2)c2c(Cl)cccc2Cl)CCc2cccnc12 |r|
Show InChI InChI=1S/C22H26Cl2N2O/c23-18-4-1-5-19(24)21(18)16-8-11-26(12-9-16)14-15-6-7-17-3-2-10-25-22(17)20(27)13-15/h1-5,10,15-16,20,27H,6-9,11-14H2/t15-,20+/m1/s1
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0.470n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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0.850n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244371
PNG
((7R,9S)-7-((4-(2-chlorophenyl)piperidin-1-yl)methy...)
Show SMILES O[C@H]1C[C@H](CN2CCC(CC2)c2ccccc2Cl)CCc2cccnc12 |r|
Show InChI InChI=1S/C22H27ClN2O/c23-20-6-2-1-5-19(20)17-9-12-25(13-10-17)15-16-7-8-18-4-3-11-24-22(18)21(26)14-16/h1-6,11,16-17,21,26H,7-10,12-15H2/t16-,21+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220984
PNG
(CHEMBL554636)
Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4cccs4)c4ccccc4c3=O)c2cc1OC
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1.40n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220990
PNG
(CHEMBL556179)
Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
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1.40n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220985
PNG
(CHEMBL553502)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3ccc4c(OCc5cccnc5)cccc4c3=O)c2cc1OC |r,t:9|
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1.5n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220988
PNG
(CHEMBL544766)
Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4nccs4)c4ccccc4c3=O)c2cc1OC
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1.70n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220989
PNG
(CHEMBL542299)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3ccc4c(OCCN5CCOCC5)cccc4c3=O)c2cc1OC |r,t:9|
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1.80n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50074893
PNG
(2-[4-(6,7-Diethoxy-2,3-bis-hydroxymethyl-naphthale...)
Show SMILES CCOc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OCC
Show InChI InChI=1S/C34H30N4O5/c1-3-42-29-15-23-14-24(19-39)28(20-40)32(27(23)17-30(29)43-4-2)21-11-13-36-31(16-21)38-34(41)26-10-6-5-9-25(26)33(37-38)22-8-7-12-35-18-22/h5-18,39-40H,3-4,19-20H2,1-2H3
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2.60n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]- rolipram binding to guinea pig brain


J Med Chem 42: 1088-99 (1999)


Article DOI: 10.1021/jm980314l
BindingDB Entry DOI: 10.7270/Q25M66DH
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50074898
PNG
(2-[4-(3-Hydroxymethyl-6,7-dimethoxy-naphthalen-1-y...)
Show SMILES COc1cc2cc(CO)cc(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C31H24N4O4/c1-38-27-14-22-12-19(18-36)13-25(26(22)16-28(27)39-2)20-9-11-33-29(15-20)35-31(37)24-8-4-3-7-23(24)30(34-35)21-6-5-10-32-17-21/h3-17,36H,18H2,1-2H3
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3n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220986
PNG
(CHEMBL542650)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(Cc4cccnc4)c4ccccc4c3=O)c2cc1OC |r,t:9|
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3.10n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50074901
PNG
(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C32H26N4O5/c1-40-27-13-21-12-22(17-37)26(18-38)30(25(21)15-28(27)41-2)19-9-11-34-29(14-19)36-32(39)24-8-4-3-7-23(24)31(35-36)20-6-5-10-33-16-20/h3-16,37-38H,17-18H2,1-2H3
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3.5n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50243726
PNG
((7R,9S)-7-(((3S,4R)-3-methyl-4-o-tolylpiperidin-1-...)
Show SMILES C[C@@H]1CN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC[C@H]1c1ccccc1C |r|
Show InChI InChI=1S/C24H32N2O/c1-17-6-3-4-8-21(17)22-11-13-26(15-18(22)2)16-19-9-10-20-7-5-12-25-24(20)23(27)14-19/h3-8,12,18-19,22-23,27H,9-11,13-16H2,1-2H3/t18-,19-,22-,23+/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50074901
PNG
(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C32H26N4O5/c1-40-27-13-21-12-22(17-37)26(18-38)30(25(21)15-28(27)41-2)19-9-11-34-29(14-19)36-32(39)24-8-4-3-7-23(24)31(35-36)20-6-5-10-33-16-20/h3-16,37-38H,17-18H2,1-2H3
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3.5n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]- rolipram binding to guinea pig brain


J Med Chem 42: 1088-99 (1999)


Article DOI: 10.1021/jm980314l
BindingDB Entry DOI: 10.7270/Q25M66DH
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50243729
PNG
((7R,9S)-7-(((3S,4S)-4-(4-fluoro-2-methylphenyl)-3-...)
Show SMILES Cc1cc(F)ccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O |r|
Show InChI InChI=1S/C23H29FN2O2/c1-15-11-18(24)6-7-19(15)20-8-10-26(14-22(20)28)13-16-4-5-17-3-2-9-25-23(17)21(27)12-16/h2-3,6-7,9,11,16,20-22,27-28H,4-5,8,10,12-14H2,1H3/t16-,20+,21+,22-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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3.80n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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3.80n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]- rolipram binding to guinea pig brain


J Med Chem 42: 1088-99 (1999)


Article DOI: 10.1021/jm980314l
BindingDB Entry DOI: 10.7270/Q25M66DH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50086550
PNG
(4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetr...)
Show SMILES Cc1cc(sc1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1)C#N
Show InChI InChI=1S/C19H20N2OS/c1-11-8-13(10-20)23-16(11)12-6-7-15-14(9-12)18(2,3)17(22)19(4,5)21-15/h6-9,21H,1-5H3
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3.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human progesterone receptor by competitive assay


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50243727
PNG
((7R,9S)-7-(((3S,4R)-3-(hydroxymethyl)-4-o-tolylpip...)
Show SMILES Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1CO |r|
Show InChI InChI=1S/C24H32N2O2/c1-17-5-2-3-7-21(17)22-10-12-26(15-20(22)16-27)14-18-8-9-19-6-4-11-25-24(19)23(28)13-18/h2-7,11,18,20,22-23,27-28H,8-10,12-16H2,1H3/t18-,20+,22-,23+/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50243730
PNG
((7R,9S)-7-(((3R,4R)-4-(2-chloro-4-fluorophenyl)-3-...)
Show SMILES O[C@H]1CN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C22H26ClFN2O2/c23-19-11-16(24)5-6-17(19)18-7-9-26(13-21(18)28)12-14-3-4-15-2-1-8-25-22(15)20(27)10-14/h1-2,5-6,8,11,14,18,20-21,27-28H,3-4,7,9-10,12-13H2/t14-,18-,20+,21+/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244296
PNG
((-)-(7R,9S)-7-{[4-(2-Methylphenyl)piperidin-1-yl]m...)
Show SMILES Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 |r|
Show InChI InChI=1S/C23H30N2O/c1-17-5-2-3-7-21(17)19-10-13-25(14-11-19)16-18-8-9-20-6-4-12-24-23(20)22(26)15-18/h2-7,12,18-19,22,26H,8-11,13-16H2,1H3/t18-,22+/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220992
PNG
(CHEMBL545700)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(-c4cncnc4)c4ccccc4c3=O)c2cc1OC |r,t:9|
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5.40n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244297
PNG
(CHEMBL513585 | cis-1-methyl-7-((4-o-tolylpiperidin...)
Show SMILES Cc1ccccc1C1CCN(C[C@@H]2CCc3c(C)cccc3[C@@H](O)C2)CC1 |r|
Show InChI InChI=1S/C25H33NO/c1-18-6-3-4-8-22(18)21-12-14-26(15-13-21)17-20-10-11-23-19(2)7-5-9-24(23)25(27)16-20/h3-9,20-21,25,27H,10-17H2,1-2H3/t20-,25+/m1/s1
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6n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50074889
PNG
(1-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3c4ccccc4ccc3=O)c2cc1OC
Show InChI InChI=1S/C28H24N2O5/c1-34-24-12-19-11-20(15-31)22(16-32)28(21(19)14-25(24)35-2)18-9-10-29-26(13-18)30-23-6-4-3-5-17(23)7-8-27(30)33/h3-14,31-32H,15-16H2,1-2H3
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6.20n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]- rolipram binding to guinea pig brain


J Med Chem 42: 1088-99 (1999)


Article DOI: 10.1021/jm980314l
BindingDB Entry DOI: 10.7270/Q25M66DH
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220991
PNG
(CHEMBL539265)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC |r,t:9|
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6.5n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2347-50 (2003)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50243728
PNG
((7R,9S)-7-(((3S,4S)-3-hydroxy-4-o-tolylpiperidin-1...)
Show SMILES Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O |r|
Show InChI InChI=1S/C23H30N2O2/c1-16-5-2-3-7-19(16)20-10-12-25(15-22(20)27)14-17-8-9-18-6-4-11-24-23(18)21(26)13-17/h2-7,11,17,20-22,26-27H,8-10,12-15H2,1H3/t17-,20+,21+,22-/m1/s1
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10n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244336
PNG
((6R,8S)-6-((4-o-tolylpiperidin-1-yl)methyl)-5,6,7,...)
Show SMILES Cc1ccccc1C1CCN(C[C@H]2C[C@H](O)c3ncccc3C2)CC1 |r|
Show InChI InChI=1S/C22H28N2O/c1-16-5-2-3-7-20(16)18-8-11-24(12-9-18)15-17-13-19-6-4-10-23-22(19)21(25)14-17/h2-7,10,17-18,21,25H,8-9,11-15H2,1H3/t17-,21+/m1/s1
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11n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50243887
PNG
((-)-(3R,4R)-4-(2-Chloro-4-fluorophenyl)-3-hydroxy-...)
Show SMILES O[C@H]1CN(C[C@H]2C[C@H](O)c3ncccc3C2)CC[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C21H24ClFN2O2/c22-18-10-15(23)3-4-16(18)17-5-7-25(12-20(17)27)11-13-8-14-2-1-6-24-21(14)19(26)9-13/h1-4,6,10,13,17,19-20,26-27H,5,7-9,11-12H2/t13-,17-,19+,20+/m1/s1
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11n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50091040
PNG
(CHEMBL3582119)
Show SMILES CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cccc2nccn12
Show InChI InChI=1S/C29H59O11P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-38-21-23(37-2)22-39-41(35,36)40-29-26(32)24(20-30)25(31)27(33)28(29)34/h23-34H,3-22H2,1-2H3,(H,35,36)/t23-,24-,25?,26?,27?,28?,29?/m1/s1
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244295
PNG
((-)-7-((4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-te...)
Show SMILES Cc1ccccc1C1CCN(C[C@H]2CCc3cccnc3[C@@H](O)C2)CC1 |r|
Show InChI InChI=1S/C23H30N2O/c1-17-5-2-3-7-21(17)19-10-13-25(14-11-19)16-18-8-9-20-6-4-12-24-23(20)22(26)15-18/h2-7,12,18-19,22,26H,8-11,13-16H2,1H3/t18-,22-/m0/s1
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12n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244295
PNG
((-)-7-((4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-te...)
Show SMILES Cc1ccccc1C1CCN(C[C@H]2CCc3cccnc3[C@@H](O)C2)CC1 |r|
Show InChI InChI=1S/C23H30N2O/c1-17-5-2-3-7-21(17)19-10-13-25(14-11-19)16-18-8-9-20-6-4-12-24-23(20)22(26)15-18/h2-7,12,18-19,22,26H,8-11,13-16H2,1H3/t18-,22-/m0/s1
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12n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-progesterone from cytosolic fraction of human recombinant progesterone-B receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50091046
PNG
(CHEMBL3582112)
Show SMILES Cc1noc(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCc12 |(2.54,-4.54,;3.47,-3.72,;4.98,-4.05,;5.76,-2.71,;4.73,-1.56,;4.98,-.35,;3.33,-2.19,;2.01,-1.4,;.66,-2.12,;-.68,-1.4,;-.68,.15,;-2.01,.93,;-3.37,.15,;-4.42,-.49,;-3.33,1.39,;-3.37,-1.4,;-4.43,-2.04,;-2.01,-2.12,;-.91,-2.7,;-3.09,-2.71,;.66,.93,;.98,2.44,;2.53,2.61,;3.18,1.19,;2.01,.15,)|
Show InChI InChI=1S/C21H26N2O2/c1-11-17(12(2)25-23-11)15-10-16-18(14-9-7-8-13(14)15)22-21(5,6)19(24)20(16,3)4/h10,22H,7-9H2,1-6H3
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50091048
PNG
(CHEMBL3582109)
Show SMILES Cc1noc(C)c1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1
Show InChI InChI=1S/C18H22N2O2/c1-10-15(11(2)22-20-10)12-7-8-14-13(9-12)17(3,4)16(21)18(5,6)19-14/h7-9,19H,1-6H3
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244372
PNG
((7R,9S)-7-((4-o-tolylpiperazin-1-yl)methyl)-6,7,8,...)
Show SMILES Cc1ccccc1N1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 |r|
Show InChI InChI=1S/C22H29N3O/c1-17-5-2-3-7-20(17)25-13-11-24(12-14-25)16-18-8-9-19-6-4-10-23-22(19)21(26)15-18/h2-7,10,18,21,26H,8-9,11-16H2,1H3/t18-,21+/m1/s1
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20n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50243886
PNG
((6R,8S)-6-(((3R,4R)-4-(4-fluoro-2-methylphenyl)-3-...)
Show SMILES Cc1cc(F)ccc1[C@H]1CCN(C[C@H]2C[C@H](O)c3ncccc3C2)C[C@@H]1O |r|
Show InChI InChI=1S/C22H27FN2O2/c1-14-9-17(23)4-5-18(14)19-6-8-25(13-21(19)27)12-15-10-16-3-2-7-24-22(16)20(26)11-15/h2-5,7,9,15,19-21,26-27H,6,8,10-13H2,1H3/t15-,19-,20+,21+/m1/s1
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21n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50091048
PNG
(CHEMBL3582109)
Show SMILES Cc1noc(C)c1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1
Show InChI InChI=1S/C18H22N2O2/c1-10-15(11(2)22-20-10)12-7-8-14-13(9-12)17(3,4)16(21)18(5,6)19-14/h7-9,19H,1-6H3
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22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-progesterone from cytosolic fraction of human recombinant progesterone-B receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244334
PNG
((7R)-9-methyl-7-((4-o-tolylpiperidin-1-yl)methyl)-...)
Show SMILES Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(C)(O)C2)CC1 |r|
Show InChI InChI=1S/C24H32N2O/c1-18-6-3-4-8-22(18)20-11-14-26(15-12-20)17-19-9-10-21-7-5-13-25-23(21)24(2,27)16-19/h3-8,13,19-20,27H,9-12,14-17H2,1-2H3/t19-,24?/m1/s1
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24n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244334
PNG
((7R)-9-methyl-7-((4-o-tolylpiperidin-1-yl)methyl)-...)
Show SMILES Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(C)(O)C2)CC1 |r|
Show InChI InChI=1S/C24H32N2O/c1-18-6-3-4-8-22(18)20-11-14-26(15-12-20)17-19-9-10-21-7-5-13-25-23(21)24(2,27)16-19/h3-8,13,19-20,27H,9-12,14-17H2,1-2H3/t19-,24?/m1/s1
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24n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244335
PNG
((3R)-3-{[4-(2-methylphenyl)piperidin-1-yl]methyl}-...)
Show SMILES Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C3(C2)OCCO3)CC1 |r|
Show InChI InChI=1S/C25H32N2O2/c1-19-5-2-3-7-23(19)21-10-13-27(14-11-21)18-20-8-9-22-6-4-12-26-24(22)25(17-20)28-15-16-29-25/h2-7,12,20-21H,8-11,13-18H2,1H3/t20-/m1/s1
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25n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50091043
PNG
(CHEMBL3582115)
Show SMILES Cc1cnn(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCc12 |(2.53,-4.52,;3.46,-3.71,;4.96,-4.03,;5.74,-2.7,;4.71,-1.55,;4.96,-.35,;3.32,-2.19,;2,-1.39,;.66,-2.11,;-.68,-1.39,;-.68,.15,;-2,.92,;-3.35,.15,;-4.41,-.49,;-3.32,1.38,;-3.35,-1.39,;-4.41,-2.03,;-2,-2.11,;-.91,-2.69,;-3.08,-2.71,;.66,.92,;.98,2.43,;2.53,2.6,;3.17,1.19,;2,.15,)|
Show InChI InChI=1S/C30H58O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-38-21-23(37-2)22-39-30(36)40-29-26(33)24(20-31)25(32)27(34)28(29)35/h23-29,31-35H,3-22H2,1-2H3/t23-,24-,25?,26?,27?,28?,29?/m1/s1
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28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244373
PNG
((7R,9S)-7-((4-phenylpiperidin-1-yl)methyl)-6,7,8,9...)
Show SMILES O[C@H]1C[C@H](CN2CCC(CC2)c2ccccc2)CCc2cccnc12 |r|
Show InChI InChI=1S/C22H28N2O/c25-21-15-17(8-9-20-7-4-12-23-22(20)21)16-24-13-10-19(11-14-24)18-5-2-1-3-6-18/h1-7,12,17,19,21,25H,8-11,13-16H2/t17-,21+/m1/s1
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30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50091036
PNG
(CHEMBL3582120)
Show SMILES CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cccn2nccc12
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3/p+1/t15-/m1/s1
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35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50091049
PNG
(CHEMBL3582125)
Show SMILES CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1ccnc2ncccc12
Show InChI InChI=1S/C24H25N3O/c1-23(2)19-13-18(15-10-12-26-21-17(15)9-6-11-25-21)14-7-5-8-16(14)20(19)27-24(3,4)22(23)28/h6,9-13,27H,5,7-8H2,1-4H3
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35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50091034
PNG
(CHEMBL3582121)
Show SMILES CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cncc2nccn12
Show InChI InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3/p+1/t19-/m0/s1
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46n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244333
PNG
((R)-7-((4-o-tolylpiperidin-1-yl)methyl)-5,6,7,8-te...)
Show SMILES Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(=O)C2)CC1 |r|
Show InChI InChI=1S/C23H28N2O/c1-17-5-2-3-7-21(17)19-10-13-25(14-11-19)16-18-8-9-20-6-4-12-24-23(20)22(26)15-18/h2-7,12,18-19H,8-11,13-16H2,1H3/t18-/m1/s1
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49n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50243797
PNG
((6R,8S)-6-(((3R,4R)-3-hydroxy-4-o-tolylpiperidin-1...)
Show SMILES Cc1ccccc1[C@H]1CCN(C[C@H]2C[C@H](O)c3ncccc3C2)C[C@@H]1O |r|
Show InChI InChI=1S/C22H28N2O2/c1-15-5-2-3-7-18(15)19-8-10-24(14-21(19)26)13-16-11-17-6-4-9-23-22(17)20(25)12-16/h2-7,9,16,19-21,25-26H,8,10-14H2,1H3/t16-,19-,20+,21+/m1/s1
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51n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
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