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Compile Data Set for Download or QSAR

Found 509 hits with Last Name = 'okuyama' 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
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50058163
PNG
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)|
Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
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1.80n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50094843
PNG
((+)-2-Amino-6-fluoro-4-oxo-bicyclo[3.1.0]hexane-2,...)
Show SMILES N[C@]1(CC(=O)[C@@H]2[C@H]1[C@@]2(F)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H8FNO5/c9-8(6(14)15)3-2(11)1-7(10,4(3)8)5(12)13/h3-4H,1,10H2,(H,12,13)(H,14,15)/t3-,4-,7+,8-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for binding affinity against Metabotropic glutamate receptor 2 in CHO cells using [3H]-7 as radioligand


J Med Chem 43: 4893-909 (2000)


BindingDB Entry DOI: 10.7270/Q24J0DC8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50094843
PNG
((+)-2-Amino-6-fluoro-4-oxo-bicyclo[3.1.0]hexane-2,...)
Show SMILES N[C@]1(CC(=O)[C@@H]2[C@H]1[C@@]2(F)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H8FNO5/c9-8(6(14)15)3-2(11)1-7(10,4(3)8)5(12)13/h3-4H,1,10H2,(H,12,13)(H,14,15)/t3-,4-,7+,8-/m1/s1
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3.62n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for binding affinity against Metabotropic glutamate receptor 3 in CHO cells using [3H]-7 as radioligand


J Med Chem 43: 4893-909 (2000)


BindingDB Entry DOI: 10.7270/Q24J0DC8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50279772
PNG
(2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl)-ethyl]-cy...)
Show SMILES N[C@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20+/m0/s1
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3.72n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for binding affinity against Metabotropic glutamate receptor 2 in CHO cells using [3H]-7 as radioligand


J Med Chem 43: 4893-909 (2000)


BindingDB Entry DOI: 10.7270/Q24J0DC8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50279772
PNG
(2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl)-ethyl]-cy...)
Show SMILES N[C@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20+/m0/s1
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4.11n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for binding affinity against Metabotropic glutamate receptor 3 in CHO cells using [3H]-7 as radioligand


J Med Chem 43: 4893-909 (2000)


BindingDB Entry DOI: 10.7270/Q24J0DC8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM86674
PNG
(ATC0175)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |r,wU:10.13,7.6,(-7.34,-2.98,;-7.34,-1.44,;-8.67,-.67,;-6,-.67,;-4.67,-1.44,;-3.33,-.67,;-2,-1.44,;-.67,-.67,;.67,-1.44,;2,-.67,;2,.87,;.67,1.64,;-.67,.87,;3.33,1.64,;4.67,.87,;4.67,-.67,;6,1.64,;7.34,.87,;8.67,1.64,;8.67,3.18,;10,3.95,;7.34,3.95,;7.34,5.49,;6,3.18,;-3.33,.87,;-4.67,1.64,;-4.67,3.18,;-6,3.95,;-7.34,3.18,;-7.34,1.64,;-6,.87,)|
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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7.23n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 831-9 (2005)


Article DOI: 10.1124/jpet.104.081711
BindingDB Entry DOI: 10.7270/Q2DB80D6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM86674
PNG
(ATC0175)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |r,wU:10.13,7.6,(-7.34,-2.98,;-7.34,-1.44,;-8.67,-.67,;-6,-.67,;-4.67,-1.44,;-3.33,-.67,;-2,-1.44,;-.67,-.67,;.67,-1.44,;2,-.67,;2,.87,;.67,1.64,;-.67,.87,;3.33,1.64,;4.67,.87,;4.67,-.67,;6,1.64,;7.34,.87,;8.67,1.64,;8.67,3.18,;10,3.95,;7.34,3.95,;7.34,5.49,;6,3.18,;-3.33,.87,;-4.67,1.64,;-4.67,3.18,;-6,3.95,;-7.34,3.18,;-7.34,1.64,;-6,.87,)|
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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9.66n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 831-9 (2005)


Article DOI: 10.1124/jpet.104.081711
BindingDB Entry DOI: 10.7270/Q2DB80D6
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074456
PNG
(CHEMBL10504 | SC241 | [3-(2-Bromo-4-isopropyl-phen...)
Show SMILES COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C20H27BrN6O2/c1-13(2)15-6-7-17(16(21)12-15)27-20-18(24-25-27)19(22-14(3)23-20)26(8-10-28-4)9-11-29-5/h6-7,12-13H,8-11H2,1-5H3
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14.8n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM86673
PNG
(ATC 0065 | ATC0065 | CAS_510732-84-0)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NCCc2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |r,wU:10.13,7.6,(-7.34,-2.98,;-7.34,-1.44,;-8.67,-.67,;-6,-.67,;-4.67,-1.44,;-3.33,-.67,;-2,-1.44,;-.67,-.67,;.67,-1.44,;2,-.67,;2,.87,;.67,1.64,;-.67,.87,;3.33,1.64,;4.67,.87,;6,1.64,;7.34,.87,;7.34,-.67,;8.67,-1.44,;10,-.67,;11.34,-1.44,;10,.87,;8.67,1.64,;8.67,3.18,;10,3.95,;10.77,2.62,;9.23,5.29,;11.34,4.72,;-3.33,.87,;-4.67,1.64,;-4.67,3.18,;-6,3.95,;-7.34,3.18,;-7.34,1.64,;-6,.87,)|
Show InChI InChI=1S/C25H29BrF3N5O/c1-34(2)23-20-5-3-4-6-21(20)32-24(33-23)31-19-11-9-18(10-12-19)30-14-13-16-7-8-17(26)15-22(16)35-25(27,28)29/h3-8,15,18-19,30H,9-14H2,1-2H3,(H,31,32,33)/t18-,19+
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15.7n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 831-9 (2005)


Article DOI: 10.1124/jpet.104.081711
BindingDB Entry DOI: 10.7270/Q2DB80D6
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM85397
PNG
(CRA1000)
Show SMILES CCN(c1nc(C)cc(n1)N1CCC=C(C1)c1cccc(F)c1)c1ccc(CC(C)C)cc1SC |c:14|
Show InChI InChI=1S/C29H35FN4S/c1-6-34(26-13-12-22(15-20(2)3)17-27(26)35-5)29-31-21(4)16-28(32-29)33-14-8-10-24(19-33)23-9-7-11-25(30)18-23/h7,9-13,16-18,20H,6,8,14-15,19H2,1-5H3
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15.7n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM86674
PNG
(ATC0175)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |r,wU:10.13,7.6,(-7.34,-2.98,;-7.34,-1.44,;-8.67,-.67,;-6,-.67,;-4.67,-1.44,;-3.33,-.67,;-2,-1.44,;-.67,-.67,;.67,-1.44,;2,-.67,;2,.87,;.67,1.64,;-.67,.87,;3.33,1.64,;4.67,.87,;4.67,-.67,;6,1.64,;7.34,.87,;8.67,1.64,;8.67,3.18,;10,3.95,;7.34,3.95,;7.34,5.49,;6,3.18,;-3.33,.87,;-4.67,1.64,;-4.67,3.18,;-6,3.95,;-7.34,3.18,;-7.34,1.64,;-6,.87,)|
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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16.9n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 831-9 (2005)


Article DOI: 10.1124/jpet.104.081711
BindingDB Entry DOI: 10.7270/Q2DB80D6
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM85398
PNG
(CRA1001)
Show SMILES CCN(c1nc(C)cc(n1)N1CCC=C(C1)c1cccc(F)c1)c1ccc(CC(C)C)cc1Br |c:14|
Show InChI InChI=1S/C28H32BrFN4/c1-5-34(26-12-11-21(14-19(2)3)16-25(26)29)28-31-20(4)15-27(32-28)33-13-7-9-23(18-33)22-8-6-10-24(30)17-22/h6,8-12,15-17,19H,5,7,13-14,18H2,1-4H3
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18.6n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM85397
PNG
(CRA1000)
Show SMILES CCN(c1nc(C)cc(n1)N1CCC=C(C1)c1cccc(F)c1)c1ccc(CC(C)C)cc1SC |c:14|
Show InChI InChI=1S/C29H35FN4S/c1-6-34(26-13-12-22(15-20(2)3)17-27(26)35-5)29-31-21(4)16-28(32-29)33-14-8-10-24(19-33)23-9-7-11-25(30)18-23/h7,9-13,16-18,20H,6,8,14-15,19H2,1-5H3
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20.6n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50074456
PNG
(CHEMBL10504 | SC241 | [3-(2-Bromo-4-isopropyl-phen...)
Show SMILES COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C20H27BrN6O2/c1-13(2)15-6-7-17(16(21)12-15)27-20-18(24-25-27)19(22-14(3)23-20)26(8-10-28-4)9-11-29-5/h6-7,12-13H,8-11H2,1-5H3
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20.7n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM85398
PNG
(CRA1001)
Show SMILES CCN(c1nc(C)cc(n1)N1CCC=C(C1)c1cccc(F)c1)c1ccc(CC(C)C)cc1Br |c:14|
Show InChI InChI=1S/C28H32BrFN4/c1-5-34(26-12-11-21(14-19(2)3)16-25(26)29)28-31-20(4)15-27(32-28)33-13-7-9-23(18-33)22-8-6-10-24(30)17-22/h6,8-12,15-17,19H,5,7,13-14,18H2,1-4H3
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22.3n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50094842
PNG
((+)-2-Amino-6-fluoro-bicyclo[3.1.0]hexane-2,6-dica...)
Show SMILES N[C@]1(CC[C@@H]2[C@H]1[C@@]2(F)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H10FNO4/c9-8(6(13)14)3-1-2-7(10,4(3)8)5(11)12/h3-4H,1-2,10H2,(H,11,12)(H,13,14)/t3-,4-,7+,8-/m1/s1
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22.5n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for binding affinity against Metabotropic glutamate receptor 2 in CHO cells using [3H]-7 as radioligand


J Med Chem 43: 4893-909 (2000)


BindingDB Entry DOI: 10.7270/Q24J0DC8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50056272
PNG
((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...)
Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
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23.4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for binding affinity against Metabotropic glutamate receptor 2 in CHO cells using [3H]-7 as radioligand


J Med Chem 43: 4893-909 (2000)


BindingDB Entry DOI: 10.7270/Q24J0DC8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50094842
PNG
((+)-2-Amino-6-fluoro-bicyclo[3.1.0]hexane-2,6-dica...)
Show SMILES N[C@]1(CC[C@@H]2[C@H]1[C@@]2(F)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H10FNO4/c9-8(6(13)14)3-1-2-7(10,4(3)8)5(11)12/h3-4H,1-2,10H2,(H,11,12)(H,13,14)/t3-,4-,7+,8-/m1/s1
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41.7n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for binding affinity against Metabotropic glutamate receptor 3 in CHO cells using [3H]-7 as radioligand


J Med Chem 43: 4893-909 (2000)


BindingDB Entry DOI: 10.7270/Q24J0DC8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50094841
PNG
((+)-2-Amino-3-fluoro-bicyclo[3.1.0]hexane-2,6-dica...)
Show SMILES N[C@@]1([C@H]2[C@@H](C[C@@H]1F)[C@@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H10FNO4/c9-3-1-2-4(6(11)12)5(2)8(3,10)7(13)14/h2-5H,1,10H2,(H,11,12)(H,13,14)/t2-,3-,4-,5-,8-/m0/s1
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47.7n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for binding affinity against Metabotropic glutamate receptor 2 in CHO cells using [3H]-7 as radioligand


J Med Chem 43: 4893-909 (2000)


BindingDB Entry DOI: 10.7270/Q24J0DC8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50056272
PNG
((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...)
Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
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PubMed
53.5n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for binding affinity against Metabotropic glutamate receptor 3 in CHO cells using [3H]-7 as radioligand


J Med Chem 43: 4893-909 (2000)


BindingDB Entry DOI: 10.7270/Q24J0DC8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50094841
PNG
((+)-2-Amino-3-fluoro-bicyclo[3.1.0]hexane-2,6-dica...)
Show SMILES N[C@@]1([C@H]2[C@@H](C[C@@H]1F)[C@@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H10FNO4/c9-3-1-2-4(6(11)12)5(2)8(3,10)7(13)14/h2-5H,1,10H2,(H,11,12)(H,13,14)/t2-,3-,4-,5-,8-/m0/s1
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65.9n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for binding affinity against Metabotropic glutamate receptor 3 in CHO cells using [3H]-7 as radioligand


J Med Chem 43: 4893-909 (2000)


BindingDB Entry DOI: 10.7270/Q24J0DC8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM86058
PNG
(MCL0129)
Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1
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68.9n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 304: 818-26 (2003)


Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM86673
PNG
(ATC 0065 | ATC0065 | CAS_510732-84-0)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NCCc2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |r,wU:10.13,7.6,(-7.34,-2.98,;-7.34,-1.44,;-8.67,-.67,;-6,-.67,;-4.67,-1.44,;-3.33,-.67,;-2,-1.44,;-.67,-.67,;.67,-1.44,;2,-.67,;2,.87,;.67,1.64,;-.67,.87,;3.33,1.64,;4.67,.87,;6,1.64,;7.34,.87,;7.34,-.67,;8.67,-1.44,;10,-.67,;11.34,-1.44,;10,.87,;8.67,1.64,;8.67,3.18,;10,3.95,;10.77,2.62,;9.23,5.29,;11.34,4.72,;-3.33,.87,;-4.67,1.64,;-4.67,3.18,;-6,3.95,;-7.34,3.18,;-7.34,1.64,;-6,.87,)|
Show InChI InChI=1S/C25H29BrF3N5O/c1-34(2)23-20-5-3-4-6-21(20)32-24(33-23)31-19-11-9-18(10-12-19)30-14-13-16-7-8-17(26)15-22(16)35-25(27,28)29/h3-8,15,18-19,30H,9-14H2,1-2H3,(H,31,32,33)/t18-,19+
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266n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 831-9 (2005)


Article DOI: 10.1124/jpet.104.081711
BindingDB Entry DOI: 10.7270/Q2DB80D6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM86058
PNG
(MCL0129)
Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1
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630n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 304: 818-26 (2003)


Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM86058
PNG
(MCL0129)
Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 304: 818-26 (2003)


Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM86058
PNG
(MCL0129)
Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 304: 818-26 (2003)


Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM86058
PNG
(MCL0129)
Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 304: 818-26 (2003)


Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 2


(Homo sapiens (Human))
BDBM86058
PNG
(MCL0129)
Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 304: 818-26 (2003)


Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM86058
PNG
(MCL0129)
Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 304: 818-26 (2003)


Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM86058
PNG
(MCL0129)
Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 304: 818-26 (2003)


Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86058
PNG
(MCL0129)
Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 304: 818-26 (2003)


Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Monkey)
BDBM86058
PNG
(MCL0129)
Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 304: 818-26 (2003)


Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)
BDBM86058
PNG
(MCL0129)
Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 304: 818-26 (2003)


Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM86058
PNG
(MCL0129)
Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 304: 818-26 (2003)


Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM86058
PNG
(MCL0129)
Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 304: 818-26 (2003)


Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM86058
PNG
(MCL0129)
Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 304: 818-26 (2003)


Article DOI: 10.1124/jpet.102.044826
BindingDB Entry DOI: 10.7270/Q2FQ9V5W
More data for this
Ligand-Target Pair
Glycerophosphocholine phosphodiesterase GPCPD1


(Homo sapiens (Human))
BDBM86694
PNG
(N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...)
Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 77-85 (2005)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2MW2FQQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM86694
PNG
(N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...)
Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 77-85 (2005)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2MW2FQQ
More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(Homo sapiens (Human))
BDBM86694
PNG
(N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...)
Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 77-85 (2005)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2MW2FQQ
More data for this
Ligand-Target Pair
Vasoactive intestinal polypeptide receptor 1


(Homo sapiens (Human))
BDBM86694
PNG
(N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...)
Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 77-85 (2005)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2MW2FQQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 2


(RAT)
BDBM86694
PNG
(N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...)
Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 77-85 (2005)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2MW2FQQ
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM86694
PNG
(N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...)
Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 77-85 (2005)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2MW2FQQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(RAT)
BDBM86694
PNG
(N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...)
Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 77-85 (2005)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2MW2FQQ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 2


(RAT)
BDBM85397
PNG
(CRA1000)
Show SMILES CCN(c1nc(C)cc(n1)N1CCC=C(C1)c1cccc(F)c1)c1ccc(CC(C)C)cc1SC |c:14|
Show InChI InChI=1S/C29H35FN4S/c1-6-34(26-13-12-22(15-20(2)3)17-27(26)35-5)29-31-21(4)16-28(32-29)33-14-8-10-24(19-33)23-9-7-11-25(30)18-23/h7,9-13,16-18,20H,6,8,14-15,19H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(MOUSE)
BDBM86694
PNG
(N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...)
Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 77-85 (2005)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2MW2FQQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-9


(RAT)
BDBM86694
PNG
(N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...)
Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
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Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 77-85 (2005)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2MW2FQQ
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)
BDBM86694
PNG
(N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...)
Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
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Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 77-85 (2005)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2MW2FQQ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 2


(RAT)
BDBM50058163
PNG
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)|
Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 2


(RAT)
BDBM85398
PNG
(CRA1001)
Show SMILES CCN(c1nc(C)cc(n1)N1CCC=C(C1)c1cccc(F)c1)c1ccc(CC(C)C)cc1Br |c:14|
Show InChI InChI=1S/C28H32BrFN4/c1-5-34(26-12-11-21(14-19(2)3)16-25(26)29)28-31-20(4)15-27(32-28)33-13-7-9-23(18-33)22-8-6-10-24(30)17-22/h6,8-12,15-17,19H,5,7,13-14,18H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 2


(RAT)
BDBM50074456
PNG
(CHEMBL10504 | SC241 | [3-(2-Bromo-4-isopropyl-phen...)
Show SMILES COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C20H27BrN6O2/c1-13(2)15-6-7-17(16(21)12-15)27-20-18(24-25-27)19(22-14(3)23-20)26(8-10-28-4)9-11-29-5/h6-7,12-13H,8-11H2,1-5H3
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Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
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