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Compile Data Set for Download or QSAR

Found 130 hits with Last Name = 'koakutsu' 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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3
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0.890n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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2.40n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM85528
PNG
(CAS_3045226 | NSC_3045226 | Ro 60-0175)
Show SMILES CC(N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3
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2.40n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3
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2.5n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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16n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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19n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM85528
PNG
(CAS_3045226 | NSC_3045226 | Ro 60-0175)
Show SMILES CC(N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3
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19n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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21n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM85528
PNG
(CAS_3045226 | NSC_3045226 | Ro 60-0175)
Show SMILES CC(N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3
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24n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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40n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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85n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3
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126n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3
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177n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine 1D receptor


(Bos taurus (Bovine))
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3
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481n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
Transducer protein HtrVI


(Halobacterium salinarum R1)
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Canis lupus familiaris (Dog) (Canis familiaris))
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
Transducer protein Htr4


(Halobacterium salinarum (strain ATCC 700922 / JCM ...)
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50243934
PNG
(2-[(4-Morpholin-4-ylphenyl)amino]-4-[(2,3,6-triflu...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1c(F)cc(F)cc1F
Show InChI InChI=1S/C22H21F3N6O2/c23-13-9-18(24)16(19(25)10-13)11-27-21-17(20(26)32)12-28-22(30-21)29-14-1-3-15(4-2-14)31-5-7-33-8-6-31/h1-4,9-10,12H,5-8,11H2,(H2,26,32)(H2,27,28,29,30)
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n/an/a 0.700n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244291
PNG
(4-[(2-Fluorobenzyl)amino]-2-[(4-morpholin-4-ylphen...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1ccccc1F
Show InChI InChI=1S/C22H23FN6O2/c23-19-4-2-1-3-15(19)13-25-21-18(20(24)30)14-26-22(28-21)27-16-5-7-17(8-6-16)29-9-11-31-12-10-29/h1-8,14H,9-13H2,(H2,24,30)(H2,25,26,27,28)
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n/an/a 1.40n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50243884
PNG
(4-[(2,5-Difluorobenzyl)amino]-2-[(4-morpholin-4-yl...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cc(F)ccc1F
Show InChI InChI=1S/C22H22F2N6O2/c23-15-1-6-19(24)14(11-15)12-26-21-18(20(25)31)13-27-22(29-21)28-16-2-4-17(5-3-16)30-7-9-32-10-8-30/h1-6,11,13H,7-10,12H2,(H2,25,31)(H2,26,27,28,29)
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n/an/a 1.60n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244292
PNG
(4-[(3-Fluorobenzyl)amino]-2-[(4-morpholin-4-ylphen...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cccc(F)c1
Show InChI InChI=1S/C22H23FN6O2/c23-16-3-1-2-15(12-16)13-25-21-19(20(24)30)14-26-22(28-21)27-17-4-6-18(7-5-17)29-8-10-31-11-9-29/h1-7,12,14H,8-11,13H2,(H2,24,30)(H2,25,26,27,28)
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n/an/a 1.80n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50243933
PNG
(2-[(4-Morpholin-4-ylphenyl)amino]-4-[(2,3,5-triflu...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cc(F)cc(F)c1F
Show InChI InChI=1S/C22H21F3N6O2/c23-14-9-13(19(25)18(24)10-14)11-27-21-17(20(26)32)12-28-22(30-21)29-15-1-3-16(4-2-15)31-5-7-33-8-6-31/h1-4,9-10,12H,5-8,11H2,(H2,26,32)(H2,27,28,29,30)
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n/an/a 1.80n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50243882
PNG
(4-[(2,3-Difluorobenzyl)amino]-2-[(4-morpholin-4-yl...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cccc(F)c1F
Show InChI InChI=1S/C22H22F2N6O2/c23-18-3-1-2-14(19(18)24)12-26-21-17(20(25)31)13-27-22(29-21)28-15-4-6-16(7-5-15)30-8-10-32-11-9-30/h1-7,13H,8-12H2,(H2,25,31)(H2,26,27,28,29)
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n/an/a 2.10n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50243885
PNG
(4-[(2,6-Difluorobenzyl)amino]-2-[(4-morpholin-4-yl...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1c(F)cccc1F
Show InChI InChI=1S/C22H22F2N6O2/c23-18-2-1-3-19(24)16(18)12-26-21-17(20(25)31)13-27-22(29-21)28-14-4-6-15(7-5-14)30-8-10-32-11-9-30/h1-7,13H,8-12H2,(H2,25,31)(H2,26,27,28,29)
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n/an/a 2.20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50243932
PNG
(4-[(3,5-Difluorobenzyl)amino]-2-[(4-morpholin-4-yl...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cc(F)cc(F)c1
Show InChI InChI=1S/C22H22F2N6O2/c23-15-9-14(10-16(24)11-15)12-26-21-19(20(25)31)13-27-22(29-21)28-17-1-3-18(4-2-17)30-5-7-32-8-6-30/h1-4,9-11,13H,5-8,12H2,(H2,25,31)(H2,26,27,28,29)
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n/an/a 5.5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244256
PNG
(4-Benzylamino-2-{[4-(4-methylpiperazin-1-yl)phenyl...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NCc3ccccc3)n2)cc1
Show InChI InChI=1S/C23H27N7O/c1-29-11-13-30(14-12-29)19-9-7-18(8-10-19)27-23-26-16-20(21(24)31)22(28-23)25-15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H2,24,31)(H2,25,26,27,28)
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n/an/a 6.20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244258
PNG
(4-(benzylamino)-2-(4-morpholinophenylamino)pyrimid...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1ccccc1
Show InChI InChI=1S/C22H24N6O2/c23-20(29)19-15-25-22(27-21(19)24-14-16-4-2-1-3-5-16)26-17-6-8-18(9-7-17)28-10-12-30-13-11-28/h1-9,15H,10-14H2,(H2,23,29)(H2,24,25,26,27)
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n/an/a 6.5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244257
PNG
(4-Benzylamino-2-[(4-piperazin-1-ylphenyl)amino]-py...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCNCC2)nc1NCc1ccccc1
Show InChI InChI=1S/C22H25N7O/c23-20(30)19-15-26-22(28-21(19)25-14-16-4-2-1-3-5-16)27-17-6-8-18(9-7-17)29-12-10-24-11-13-29/h1-9,15,24H,10-14H2,(H2,23,30)(H2,25,26,27,28)
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n/an/a 7n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244331
PNG
(4-[(2-Chlorobenzyl)amino]-2-[(4-morpholin-4-ylphen...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1ccccc1Cl
Show InChI InChI=1S/C22H23ClN6O2/c23-19-4-2-1-3-15(19)13-25-21-18(20(24)30)14-26-22(28-21)27-16-5-7-17(8-6-16)29-9-11-31-12-10-29/h1-8,14H,9-13H2,(H2,24,30)(H2,25,26,27,28)
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n/an/a 7.90n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244329
PNG
(4-[(2-Methoxybenzyl)amino]-2-[(4-morpholin-4-ylphe...)
Show SMILES COc1ccccc1CNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C(N)=O
Show InChI InChI=1S/C23H26N6O3/c1-31-20-5-3-2-4-16(20)14-25-22-19(21(24)30)15-26-23(28-22)27-17-6-8-18(9-7-17)29-10-12-32-13-11-29/h2-9,15H,10-14H2,1H3,(H2,24,30)(H2,25,26,27,28)
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n/an/a 8.20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244294
PNG
(4-[(2-Methylbenzyl)amino]-2-[(4-morpholin-4-ylphen...)
Show SMILES Cc1ccccc1CNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C(N)=O
Show InChI InChI=1S/C23H26N6O2/c1-16-4-2-3-5-17(16)14-25-22-20(21(24)30)15-26-23(28-22)27-18-6-8-19(9-7-18)29-10-12-31-13-11-29/h2-9,15H,10-14H2,1H3,(H2,24,30)(H2,25,26,27,28)
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n/an/a 11n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244223
PNG
(4-Benzylamino-2-{[4-(4-hydroxypiperidin-1-yl)pheny...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCC(O)CC2)nc1NCc1ccccc1
Show InChI InChI=1S/C23H26N6O2/c24-21(31)20-15-26-23(28-22(20)25-14-16-4-2-1-3-5-16)27-17-6-8-18(9-7-17)29-12-10-19(30)11-13-29/h1-9,15,19,30H,10-14H2,(H2,24,31)(H2,25,26,27,28)
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n/an/a 16n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244259
PNG
(4-Benzylamino-2-{[4-(1-methylpiperidin-4-yl)phenyl...)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(C(N)=O)c(NCc3ccccc3)n2)cc1
Show InChI InChI=1S/C24H28N6O/c1-30-13-11-19(12-14-30)18-7-9-20(10-8-18)28-24-27-16-21(22(25)31)23(29-24)26-15-17-5-3-2-4-6-17/h2-10,16,19H,11-15H2,1H3,(H2,25,31)(H2,26,27,28,29)
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n/an/a 17n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50243794
PNG
(4-[(3-Hydroxybenzyl)amino]-2-[(4-morpholin-4-ylphe...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cccc(O)c1
Show InChI InChI=1S/C22H24N6O3/c23-20(30)19-14-25-22(27-21(19)24-13-15-2-1-3-18(29)12-15)26-16-4-6-17(7-5-16)28-8-10-31-11-9-28/h1-7,12,14,29H,8-11,13H2,(H2,23,30)(H2,24,25,26,27)
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n/an/a 19n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50197554
PNG
(2-(3-chloro-4-hydroxyphenethylamino)-4-(benzylamin...)
Show SMILES NC(=O)c1cnc(NCCc2ccc(O)c(Cl)c2)nc1NCc1ccccc1
Show InChI InChI=1S/C20H20ClN5O2/c21-16-10-13(6-7-17(16)27)8-9-23-20-25-12-15(18(22)28)19(26-20)24-11-14-4-2-1-3-5-14/h1-7,10,12,27H,8-9,11H2,(H2,22,28)(H2,23,24,25,26)
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n/an/a 21n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244330
PNG
(4-[(2-Hydroxybenzyl)amino]-2-[(4-morpholin-4-ylphe...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1ccccc1O
Show InChI InChI=1S/C22H24N6O3/c23-20(30)18-14-25-22(27-21(18)24-13-15-3-1-2-4-19(15)29)26-16-5-7-17(8-6-16)28-9-11-31-12-10-28/h1-8,14,29H,9-13H2,(H2,23,30)(H2,24,25,26,27)
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n/an/a 22n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244369
PNG
(4-{[2-(Methylsulfanyl)benzyl]amino}-2-[(4-morpholi...)
Show SMILES CSc1ccccc1CNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C(N)=O
Show InChI InChI=1S/C23H26N6O2S/c1-32-20-5-3-2-4-16(20)14-25-22-19(21(24)30)15-26-23(28-22)27-17-6-8-18(9-7-17)29-10-12-31-13-11-29/h2-9,15H,10-14H2,1H3,(H2,24,30)(H2,25,26,27,28)
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n/an/a 23n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50243725
PNG
(4-[(3-Methoxybenzyl)amino]-2-[(4-morpholin-4-ylphe...)
Show SMILES COc1cccc(CNc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2C(N)=O)c1
Show InChI InChI=1S/C23H26N6O3/c1-31-19-4-2-3-16(13-19)14-25-22-20(21(24)30)15-26-23(28-22)27-17-5-7-18(8-6-17)29-9-11-32-12-10-29/h2-8,13,15H,9-12,14H2,1H3,(H2,24,30)(H2,25,26,27,28)
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n/an/a 25n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244332
PNG
(2-[(4-Morpholin-4-ylphenyl)amino]-4-[(2-trifluorom...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C23H23F3N6O2/c24-23(25,26)19-4-2-1-3-15(19)13-28-21-18(20(27)33)14-29-22(31-21)30-16-5-7-17(8-6-16)32-9-11-34-12-10-32/h1-8,14H,9-13H2,(H2,27,33)(H2,28,29,30,31)
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n/an/a 25n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50243723
PNG
(4-[(3-Chlorobenzyl)amino]-2-[(4-morpholin-4-ylphen...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cccc(Cl)c1
Show InChI InChI=1S/C22H23ClN6O2/c23-16-3-1-2-15(12-16)13-25-21-19(20(24)30)14-26-22(28-21)27-17-4-6-18(7-5-17)29-8-10-31-11-9-29/h1-7,12,14H,8-11,13H2,(H2,24,30)(H2,25,26,27,28)
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n/an/a 36n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244366
PNG
(2-[(4-Morpholin-4-ylphenyl)amino]-4-[(2-nitrobenzy...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C22H23N7O4/c23-20(30)18-14-25-22(26-16-5-7-17(8-6-16)28-9-11-33-12-10-28)27-21(18)24-13-15-3-1-2-4-19(15)29(31)32/h1-8,14H,9-13H2,(H2,23,30)(H2,24,25,26,27)
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n/an/a 38n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50106720
PNG
(CHEMBL3600880)
Show SMILES CC(C)C[C@@H](CO)NCC(=O)N1CCc2ccccc2C1C1CCCCC1 |r|
Show InChI InChI=1S/C23H36N2O2/c1-17(2)14-20(16-26)24-15-22(27)25-13-12-18-8-6-7-11-21(18)23(25)19-9-4-3-5-10-19/h6-8,11,17,19-20,23-24,26H,3-5,9-10,12-16H2,1-2H3/t20-,23?/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay


Bioorg Med Chem 23: 4638-48 (2015)


Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244189
PNG
(4-(Benzylamino)-2-{[2-(3,5-dichloro-4-hydroxypheny...)
Show SMILES NC(=O)c1cnc(NCCc2cc(Cl)c(O)c(Cl)c2)nc1NCc1ccccc1
Show InChI InChI=1S/C20H19Cl2N5O2/c21-15-8-13(9-16(22)17(15)28)6-7-24-20-26-11-14(18(23)29)19(27-20)25-10-12-4-2-1-3-5-12/h1-5,8-9,11,28H,6-7,10H2,(H2,23,29)(H2,24,25,26,27)
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n/an/a 61n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50106719
PNG
(CHEMBL3600879)
Show SMILES CC(C)(C)[C@@H](CO)NCC(=O)N1CCc2ccccc2C1C1CCCCC1 |r|
Show InChI InChI=1S/C23H36N2O2/c1-23(2,3)20(16-26)24-15-21(27)25-14-13-17-9-7-8-12-19(17)22(25)18-10-5-4-6-11-18/h7-9,12,18,20,22,24,26H,4-6,10-11,13-16H2,1-3H3/t20-,22?/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay


Bioorg Med Chem 23: 4638-48 (2015)


Article DOI: 10.1016/j.bmc.2015.05.053
BindingDB Entry DOI: 10.7270/Q27D2WXJ
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244191
PNG
(4-Benzylamino-2-{[4-(3-hydroxypropyl)phenyl]amino}...)
Show SMILES NC(=O)c1cnc(Nc2ccc(CCCO)cc2)nc1NCc1ccccc1
Show InChI InChI=1S/C21H23N5O2/c22-19(28)18-14-24-21(25-17-10-8-15(9-11-17)7-4-12-27)26-20(18)23-13-16-5-2-1-3-6-16/h1-3,5-6,8-11,14,27H,4,7,12-13H2,(H2,22,28)(H2,23,24,25,26)
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n/an/a 81n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50197567
PNG
(2-(4-hydroxyphenethylamino)-4-(benzylamino)pyrimid...)
Show SMILES NC(=O)c1cnc(NCCc2ccc(O)cc2)nc1NCc1ccccc1
Show InChI InChI=1S/C20H21N5O2/c21-18(27)17-13-24-20(22-11-10-14-6-8-16(26)9-7-14)25-19(17)23-12-15-4-2-1-3-5-15/h1-9,13,26H,10-12H2,(H2,21,27)(H2,22,23,24,25)
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n/an/a 88n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50243934
PNG
(2-[(4-Morpholin-4-ylphenyl)amino]-4-[(2,3,6-triflu...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1c(F)cc(F)cc1F
Show InChI InChI=1S/C22H21F3N6O2/c23-13-9-18(24)16(19(25)10-13)11-27-21-17(20(26)32)12-28-22(30-21)29-14-1-3-15(4-2-14)31-5-7-33-8-6-31/h1-4,9-10,12H,5-8,11H2,(H2,26,32)(H2,27,28,29,30)
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n/an/a 88n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
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