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Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'kurata' and Initial = 'y'   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM50005414
PNG
((estradiol)13-Methyl-7,8,9,11,12,13,14,15,16,17-de...)
Show SMILES CC12CCC3C(CCc4cc(O)ccc34)C1CCC2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3
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0.830n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 916-20 (2005)


Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50025452
PNG
((testosterone)17-Hydroxy-10,13-dimethyl-1,2,6,7,8,...)
Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2O |t:8|
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3
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6.30n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 916-20 (2005)


Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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6.80n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 916-20 (2005)


Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM86680
PNG
(CAS_4042 | Mpa | NSC_4042)
Show SMILES CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:28|
Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3
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13n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 916-20 (2005)


Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM86680
PNG
(CAS_4042 | Mpa | NSC_4042)
Show SMILES CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:28|
Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3
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19n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 916-20 (2005)


Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM86678
PNG
(CP8816)
Show SMILES COC1C=C2C=C3N(C)C(=O)C(C)=C3[C@@H](C)[C@]2(C)CC1OC(=O)N(C)C |r,c:12,t:3,5|
Show InChI InChI=1S/C20H28N2O4/c1-11-17-12(2)20(3)10-16(26-19(24)21(4)5)15(25-7)9-13(20)8-14(17)22(6)18(11)23/h8-9,12,15-16H,10H2,1-7H3/t12-,15?,16?,20+/m1/s1
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25n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 916-20 (2005)


Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM86679
PNG
(CP8863)
Show SMILES CNC(=O)OC1C[C@@]2(C)[C@H](C)C3=C(C)C(=O)N(C)C3=CC2=CC1O |r,c:11,19,22|
Show InChI InChI=1S/C18H24N2O4/c1-9-15-10(2)18(3)8-14(24-17(23)19-4)13(21)7-11(18)6-12(15)20(5)16(9)22/h6-7,10,13-14,21H,8H2,1-5H3,(H,19,23)/t10-,13?,14?,18+/m1/s1
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40n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 916-20 (2005)


Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM86680
PNG
(CAS_4042 | Mpa | NSC_4042)
Show SMILES CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:28|
Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3
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43n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 916-20 (2005)


Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM86678
PNG
(CP8816)
Show SMILES COC1C=C2C=C3N(C)C(=O)C(C)=C3[C@@H](C)[C@]2(C)CC1OC(=O)N(C)C |r,c:12,t:3,5|
Show InChI InChI=1S/C20H28N2O4/c1-11-17-12(2)20(3)10-16(26-19(24)21(4)5)15(25-7)9-13(20)8-14(17)22(6)18(11)23/h8-9,12,15-16H,10H2,1-7H3/t12-,15?,16?,20+/m1/s1
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5.00E+3n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 916-20 (2005)


Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM86679
PNG
(CP8863)
Show SMILES CNC(=O)OC1C[C@@]2(C)[C@H](C)C3=C(C)C(=O)N(C)C3=CC2=CC1O |r,c:11,19,22|
Show InChI InChI=1S/C18H24N2O4/c1-9-15-10(2)18(3)8-14(24-17(23)19-4)13(21)7-11(18)6-12(15)20(5)16(9)22/h6-7,10,13-14,21H,8H2,1-5H3,(H,19,23)/t10-,13?,14?,18+/m1/s1
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9.70E+3n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 916-20 (2005)


Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM86679
PNG
(CP8863)
Show SMILES CNC(=O)OC1C[C@@]2(C)[C@H](C)C3=C(C)C(=O)N(C)C3=CC2=CC1O |r,c:11,19,22|
Show InChI InChI=1S/C18H24N2O4/c1-9-15-10(2)18(3)8-14(24-17(23)19-4)13(21)7-11(18)6-12(15)20(5)16(9)22/h6-7,10,13-14,21H,8H2,1-5H3,(H,19,23)/t10-,13?,14?,18+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 916-20 (2005)


Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM86679
PNG
(CP8863)
Show SMILES CNC(=O)OC1C[C@@]2(C)[C@H](C)C3=C(C)C(=O)N(C)C3=CC2=CC1O |r,c:11,19,22|
Show InChI InChI=1S/C18H24N2O4/c1-9-15-10(2)18(3)8-14(24-17(23)19-4)13(21)7-11(18)6-12(15)20(5)16(9)22/h6-7,10,13-14,21H,8H2,1-5H3,(H,19,23)/t10-,13?,14?,18+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 916-20 (2005)


Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM86678
PNG
(CP8816)
Show SMILES COC1C=C2C=C3N(C)C(=O)C(C)=C3[C@@H](C)[C@]2(C)CC1OC(=O)N(C)C |r,c:12,t:3,5|
Show InChI InChI=1S/C20H28N2O4/c1-11-17-12(2)20(3)10-16(26-19(24)21(4)5)15(25-7)9-13(20)8-14(17)22(6)18(11)23/h8-9,12,15-16H,10H2,1-7H3/t12-,15?,16?,20+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 916-20 (2005)


Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM86680
PNG
(CAS_4042 | Mpa | NSC_4042)
Show SMILES CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:28|
Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 916-20 (2005)


Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR
More data for this
Ligand-Target Pair