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Compile Data Set for Download or QSAR

Found 342 hits with Last Name = 'iwata' and Initial = 'm'   
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
Eukaryotic initiation factor 4A-III


(Homo sapiens (Human))		BDBM50235737
PNG
(CHEMBL4070102)
Show SMILES CC(C)c1cc(Cl)c2cc([nH]c2c1F)C(O)=O
Show InChI InChI=1S/C12H11ClFNO2/c1-5(2)6-3-8(13)7-4-9(12(16)17)15-11(7)10(6)14/h3-5,15H,1-2H3,(H,16,17)
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 430n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
ATP competitive inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 expressed in Escherichia coli BL21(DE3) ...

Bioorg Med Chem 25: 2200-2209 (2017)


Article DOI: 10.1016/j.bmc.2017.02.035
BindingDB Entry DOI: 10.7270/Q2902613
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))		BDBM50081472
PNG
((2S,3S)-4-(6-Amino-purin-9-yl)-2,3-dihydroxy-butyr...)
Show SMILES Nc1ncnc2n(C[C@H](O)[C@H](O)C=O)cnc12
Show InChI InChI=1/C9H11N5O3/c10-8-7-9(12-3-11-8)14(4-13-7)1-5(16)6(17)2-15/h2-6,16-17H,1H2,(H2,10,11,12)/t5-,6+/s2
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 8.80E+3n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibition of human SAHH

Bioorg Med Chem 16: 6575-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.020
BindingDB Entry DOI: 10.7270/Q2SN08SX
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))		BDBM50244094
PNG
(9-[(10R,20S,30S,40R)-30,40-Epoxy-20-hydroxy-cyclop...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H]2O[C@H]2[C@H]1O
Show InChI InChI=1/C10H11N5O2/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5-8(17-5)7(4)16/h2-5,7-8,16H,1H2,(H2,11,12,13)/t4-,5-,7+,8-/s2
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 1.24E+4n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibition of human SAHH

Bioorg Med Chem 16: 6575-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.020
BindingDB Entry DOI: 10.7270/Q2SN08SX
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))		BDBM50244095
PNG
(9-[(10R,20S,30R,50R)-30,40-Epoxy-20-hydroxy-cyclop...)
Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1C[C@H]2O[C@H]2[C@H]1O
Show InChI InChI=1/C10H10FN5O2/c11-10-14-8(12)5-9(15-10)16(2-13-5)3-1-4-7(18-4)6(3)17/h2-4,6-7,17H,1H2,(H2,12,14,15)/t3-,4-,6+,7-/s2
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 2.03E+4n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibition of human SAHH

Bioorg Med Chem 16: 6575-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.020
BindingDB Entry DOI: 10.7270/Q2SN08SX
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
BCoR-BCL6


(Homo sapiens)		BDBM50260529
PNG
(CHEMBL4077626)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1/C83H121N21O20S/c1-10-44(6)67(102-76(118)62(38-65(109)110)99-79(121)68(45(7)106)103-75(117)59(35-47-25-27-50(108)28-26-47)96-74(116)61(37-49-40-91-54-21-14-12-19-52(49)54)97-72(114)58(34-42(2)3)92-46(8)107)78(120)95-55(22-15-30-88-82(84)85)69(111)94-57(29-33-125-9)70(112)100-63(41-105)77(119)98-60(36-48-39-90-53-20-13-11-18-51(48)53)73(115)93-56(23-16-31-89-83(86)87)71(113)101-66(43(4)5)80(122)104-32-17-24-64(104)81(123)124/h11-14,18-21,25-28,39-40,42-45,55-64,66-68,90-91,105-106,108H,10,15-17,22-24,29-38,41H2,1-9H3,(H,92,107)(H,93,115)(H,94,111)(H,95,120)(H,96,116)(H,97,114)(H,98,119)(H,99,121)(H,100,112)(H,101,113)(H,102,118)(H,103,117)(H,109,110)(H,123,124)(H4,84,85,88)(H4,86,87,89)/t44-,45+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,67-,68-/s2
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n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of C-terminal biotin-labelled BCoR (Arg498 to 514Pro residues) binding to recombinant FLAG-tagged BCL6 BTB (5 to 129 residues) (unknown or...

Bioorg Med Chem 25: 4876-4886 (2017)

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
Coagulation factor XI


(Homo sapiens (Human))		BDBM339899
PNG
((3S)-1-[(trans-4-{(1S)-1-[(tert-Butoxycarbonyl)ami...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)C1CCCCC1
Show InChI InChI=1/C29H39FN4O4/c30-16-23(31)18-6-8-19(9-7-18)28(36)34-13-12-22(17-4-2-1-3-5-17)26(34)27(35)32-21-10-11-24-20(14-21)15-25(33-24)29(37)38/h10-11,14-15,17-19,22-23,26,33H,1-9,12-13,16,31H2,(H,32,35)(H,37,38)/t18-,19-,22-,23+,26-/s2
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US Patent
n/an/a 6n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...

US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
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
Coagulation factor XI


(Homo sapiens (Human))		BDBM339903
PNG
(US9758480, 114)
Show SMILES CS(=O)(=O)NC(=O)c1cc2cc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CCCCC3)ccc2[nH]1
Show InChI InChI=1/C30H42FN5O5S/c1-42(40,41)35-28(37)26-16-21-15-22(11-12-25(21)34-26)33-29(38)27-23(18-5-3-2-4-6-18)13-14-36(27)30(39)20-9-7-19(8-10-20)24(32)17-31/h11-12,15-16,18-20,23-24,27,34H,2-10,13-14,17,32H2,1H3,(H,33,38)(H,35,37)/t19-,20-,23-,24+,27-/s2
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n/an/a 7n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...

US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
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
Coagulation factor XI


(Homo sapiens (Human))		BDBM339926
PNG
(Pentyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(tert-butoxyc...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)NS(=O)(=O)N1CCOCC1)C1CCCCC1
Show InChI InChI=1/C33H47FN6O6S/c34-20-27(35)22-6-8-23(9-7-22)33(43)40-13-12-26(21-4-2-1-3-5-21)30(40)32(42)36-25-10-11-28-24(18-25)19-29(37-28)31(41)38-47(44,45)39-14-16-46-17-15-39/h10-11,18-19,21-23,26-27,30,37H,1-9,12-17,20,35H2,(H,36,42)(H,38,41)/t22-,23-,26-,27+,30-/s2
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n/an/a 8n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...

US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
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
Coagulation factor XI


(Homo sapiens (Human))		BDBM339882
PNG
(5-{(2S,3S)-1-[trans-4-(tert-Butoxycarbonylaminomet...)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N1CCC([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)c1ccccc1
Show InChI InChI=1/C28H32N4O4/c29-16-17-6-8-19(9-7-17)27(34)32-13-12-22(18-4-2-1-3-5-18)25(32)26(33)30-21-10-11-23-20(14-21)15-24(31-23)28(35)36/h1-5,10-11,14-15,17,19,22,25,31H,6-9,12-13,16,29H2,(H,30,33)(H,35,36)/t17-,19-,22?,25-/s2
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n/an/a 9n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...

US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM339927
PNG
(Cyclopropylmethyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(t...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)NS(=O)(=O)N1CCCCC1)C1CCCCC1
Show InChI InChI=1/C34H49FN6O5S/c35-21-28(36)23-9-11-24(12-10-23)34(44)41-18-15-27(22-7-3-1-4-8-22)31(41)33(43)37-26-13-14-29-25(19-26)20-30(38-29)32(42)39-47(45,46)40-16-5-2-6-17-40/h13-14,19-20,22-24,27-28,31,38H,1-12,15-18,21,36H2,(H,37,43)(H,39,42)/t23-,24-,27-,28+,31-/s2
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n/an/a 10n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...

US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
U5 small nuclear ribonucleoprotein 200 kDa helicase


(Homo sapiens (Human))		BDBM50260424
PNG
(CHEMBL4091579)
Show SMILES CC(C)C[C@H]1C[C@@H](C)[C@@]2(N1C(=O)c1cn(Cc3ccccc3)cn1)C(=O)Nc1ccc(F)cc21
Show InChI InChI=1/C27H29FN4O2/c1-17(2)11-21-12-18(3)27(22-13-20(28)9-10-23(22)30-26(27)34)32(21)25(33)24-15-31(16-29-24)14-19-7-5-4-6-8-19/h4-10,13,15-18,21H,11-12,14H2,1-3H3,(H,30,34)/t18-,21+,27+/s2
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His-tagged BRR2 RNA dependent ATPase activity expressed in baculovirus infected Sf9 cells usin...

Bioorg Med Chem 25: 4753-4767 (2017)

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
Coagulation factor XI


(Homo sapiens (Human))		BDBM339889
PNG
(US9758480, 35)
Show SMILES NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)C1CCCCC1
Show InChI InChI=1/C29H39FN4O4/c30-16-23(31)18-6-8-19(9-7-18)28(36)34-13-12-22(17-4-2-1-3-5-17)26(34)27(35)32-21-10-11-24-20(14-21)15-25(33-24)29(37)38/h10-11,14-15,17-19,22-23,26,33H,1-9,12-13,16,31H2,(H,32,35)(H,37,38)/t18-,19-,22-,23?,26-/s2
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n/an/a 14n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...

US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
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
U5 small nuclear ribonucleoprotein 200 kDa helicase


(Homo sapiens (Human))		BDBM50260390
PNG
(CHEMBL4070683)
Show SMILES CC(C)C[C@H]1C[C@@H](C)[C@@]2(N1C(=O)c1cn(C)cn1)C(=O)Nc1ccc(F)cc21
Show InChI InChI=1/C21H25FN4O2/c1-12(2)7-15-8-13(3)21(26(15)19(27)18-10-25(4)11-23-18)16-9-14(22)5-6-17(16)24-20(21)28/h5-6,9-13,15H,7-8H2,1-4H3,(H,24,28)/t13-,15+,21+/s2
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n/an/a 21n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His-tagged BRR2 RNA dependent ATPase activity expressed in baculovirus infected Sf9 cells usin...

Bioorg Med Chem 25: 4753-4767 (2017)

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
U5 small nuclear ribonucleoprotein 200 kDa helicase


(Homo sapiens (Human))		BDBM50260424
PNG
(CHEMBL4091579)
Show SMILES CC(C)C[C@H]1C[C@@H](C)[C@@]2(N1C(=O)c1cn(Cc3ccccc3)cn1)C(=O)Nc1ccc(F)cc21
Show InChI InChI=1/C27H29FN4O2/c1-17(2)11-21-12-18(3)27(22-13-20(28)9-10-23(22)30-26(27)34)32(21)25(33)24-15-31(16-29-24)14-19-7-5-4-6-8-19/h4-10,13,15-18,21H,11-12,14H2,1-3H3,(H,30,34)/t18-,21+,27+/s2
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n/an/a 24n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His-tagged BRR2 RNA dependent ATPase activity expressed in baculovirus infected Sf9 cells usin...

Bioorg Med Chem 25: 4753-4767 (2017)

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
Coagulation factor XI


(Homo sapiens (Human))		BDBM339888
PNG
(US9758480, 34)
Show SMILES NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(C(O)=O)c(Cl)c2c1)C1CCCCC1
Show InChI InChI=1/C29H38ClFN4O4/c30-24-21-14-19(10-11-23(21)34-25(24)29(38)39)33-27(36)26-20(16-4-2-1-3-5-16)12-13-35(26)28(37)18-8-6-17(7-9-18)22(32)15-31/h10-11,14,16-18,20,22,26,34H,1-9,12-13,15,32H2,(H,33,36)(H,38,39)/t17-,18-,20-,22?,26-/s2
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n/an/a 28n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...

US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM339925
PNG
(Tetrahydro-2H-pyran-4-ylmethyl 5-{[(3S)-1-[(trans-...)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1cc2cc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CCCCC3)ccc2o1
Show InChI InChI=1/C31H44FN5O6S/c1-36(2)44(41,42)35-29(38)27-17-22-16-23(12-13-26(22)43-27)34-30(39)28-24(19-6-4-3-5-7-19)14-15-37(28)31(40)21-10-8-20(9-11-21)25(33)18-32/h12-13,16-17,19-21,24-25,28H,3-11,14-15,18,33H2,1-2H3,(H,34,39)(H,35,38)/t20-,21-,24-,25+,28-/s2
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n/an/a 29n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...

US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM339920
PNG
(US9758480, 184 | tert-Butyl [(1S)-1-(trans-4-{[(2S...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(C(O)=O)c(Cl)c2c1)C1CCCCC1
Show InChI InChI=1/C29H38ClFN4O4/c30-24-21-14-19(10-11-23(21)34-25(24)29(38)39)33-27(36)26-20(16-4-2-1-3-5-16)12-13-35(26)28(37)18-8-6-17(7-9-18)22(32)15-31/h10-11,14,16-18,20,22,26,34H,1-9,12-13,15,32H2,(H,33,36)(H,38,39)/t17-,18-,20-,22+,26-/s2
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n/an/a 30n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...

US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM339890
PNG
(US9758480, 38)
Show SMILES NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)c1ccc(F)cc1
Show InChI InChI=1/C29H32F2N4O4/c30-15-23(32)17-1-3-18(4-2-17)28(37)35-12-11-22(16-5-7-20(31)8-6-16)26(35)27(36)33-21-9-10-24-19(13-21)14-25(34-24)29(38)39/h5-10,13-14,17-18,22-23,26,34H,1-4,11-12,15,32H2,(H,33,36)(H,38,39)/t17-,18-,22-,23?,26-/s2
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n/an/a 30n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...

US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM339919
PNG
(Cyclopentylmethyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(t...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)c1ccc(F)cc1
Show InChI InChI=1/C29H32F2N4O4/c30-15-23(32)17-1-3-18(4-2-17)28(37)35-12-11-22(16-5-7-20(31)8-6-16)26(35)27(36)33-21-9-10-24-19(13-21)14-25(34-24)29(38)39/h5-10,13-14,17-18,22-23,26,34H,1-4,11-12,15,32H2,(H,33,36)(H,38,39)/t17-,18-,22-,23-,26+/s2
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n/an/a 33n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...

US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM339896
PNG
(5-[(2S,3S)-1-{trans-4-[(1S)-1-(tert-Butoxycarbonyl...)
Show SMILES N[C@H](CF)C1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)C1CCCCC1
Show InChI InChI=1/C29H38FN3O5/c30-16-23(31)18-6-8-19(9-7-18)28(35)33-13-12-22(17-4-2-1-3-5-17)26(33)27(34)32-21-10-11-24-20(14-21)15-25(38-24)29(36)37/h10-11,14-15,17-19,22-23,26H,1-9,12-13,16,31H2,(H,32,34)(H,36,37)/t18?,19-,22-,23-,26+/s2
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n/an/a 34n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...

US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM339884
PNG
(5-{(2S,3S)-1-[trans-4-(tert-Butoxycarbonylaminomet...)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N1CCC([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(N)=O)c1ccccc1
Show InChI InChI=1/C28H33N5O3/c29-16-17-6-8-19(9-7-17)28(36)33-13-12-22(18-4-2-1-3-5-18)25(33)27(35)31-21-10-11-23-20(14-21)15-24(32-23)26(30)34/h1-5,10-11,14-15,17,19,22,25,32H,6-9,12-13,16,29H2,(H2,30,34)(H,31,35)/t17-,19-,22?,25-/s2
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n/an/a 34n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...

US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
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
U5 small nuclear ribonucleoprotein 200 kDa helicase


(Homo sapiens (Human))		BDBM50260390
PNG
(CHEMBL4070683)
Show SMILES CC(C)C[C@H]1C[C@@H](C)[C@@]2(N1C(=O)c1cn(C)cn1)C(=O)Nc1ccc(F)cc21
Show InChI InChI=1/C21H25FN4O2/c1-12(2)7-15-8-13(3)21(26(15)19(27)18-10-25(4)11-23-18)16-9-14(22)5-6-17(16)24-20(21)28/h5-6,9-13,15H,7-8H2,1-4H3,(H,24,28)/t13-,15+,21+/s2
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n/an/a 42n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His-tagged BRR2 RNA dependent ATPase activity expressed in baculovirus infected Sf9 cells usin...

Bioorg Med Chem 25: 4753-4767 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM339906
PNG
((2S)-Tetrahydrofuran-2-ylmethyl 5-({(3S)-1-[(trans...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(=O)NS(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1/C35H37FN4O6S/c36-21-29(37)23-11-13-24(14-12-23)35(43)40-18-17-28(22-7-3-1-4-8-22)32(40)34(42)38-26-15-16-30-25(19-26)20-31(46-30)33(41)39-47(44,45)27-9-5-2-6-10-27/h1-10,15-16,19-20,23-24,28-29,32H,11-14,17-18,21,37H2,(H,38,42)(H,39,41)/t23-,24-,28-,29-,32+/s2
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n/an/a 43n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...

US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
U5 small nuclear ribonucleoprotein 200 kDa helicase


(Homo sapiens (Human))		BDBM50260423
PNG
(CHEMBL4104317)
Show SMILES COC(=O)[C@@H]1C[C@H](CC(C)C)N(C(=O)c2cn(Cc3ccccc3)cn2)[C@@]11C(=O)Nc2ccc(F)cc12
Show InChI InChI=1/C28H29FN4O4/c1-17(2)11-20-13-22(26(35)37-3)28(21-12-19(29)9-10-23(21)31-27(28)36)33(20)25(34)24-15-32(16-30-24)14-18-7-5-4-6-8-18/h4-10,12,15-17,20,22H,11,13-14H2,1-3H3,(H,31,36)/t20-,22-,28+/s2
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n/an/a 44n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His-tagged BRR2 RNA dependent ATPase activity expressed in baculovirus infected Sf9 cells usin...

Bioorg Med Chem 25: 4753-4767 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM339893
PNG
(5-[(2S,3S)-1-{trans-4-[1-(tert-Butoxycarbonyl)amin...)
Show SMILES NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(C(O)=O)c(F)c2c1)C1CCCCC1
Show InChI InChI=1/C29H38F2N4O4/c30-15-22(32)17-6-8-18(9-7-17)28(37)35-13-12-20(16-4-2-1-3-5-16)26(35)27(36)33-19-10-11-23-21(14-19)24(31)25(34-23)29(38)39/h10-11,14,16-18,20,22,26,34H,1-9,12-13,15,32H2,(H,33,36)(H,38,39)/t17-,18-,20-,22?,26-/s2
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n/an/a 45n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...

US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM339910
PNG
(US9758480, 134)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccccn2)c(F)c1)C1CCCCC1
Show InChI InChI=1/C32H41F2N5O5S/c33-19-27(35)21-9-11-22(12-10-21)32(42)39-17-15-24(20-6-2-1-3-7-20)29(39)31(41)37-23-13-14-25(26(34)18-23)30(40)38-45(43,44)28-8-4-5-16-36-28/h4-5,8,13-14,16,18,20-22,24,27,29H,1-3,6-7,9-12,15,17,19,35H2,(H,37,41)(H,38,40)/t21-,22-,24-,27+,29-/s2
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n/an/a 54n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...

US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
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