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Compile Data Set for Download or QSAR

Found 158 hits from AbbVie Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycine transporter 1


(Homo sapiens (Human))
BDBM50365388
PNG
(CHEMBL4165362)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](N[C@@H]2CCc3ccccc23)[C@H](C1)c1ccc(F)cc1
Show InChI InChI=1S/C23H25FN4O2S/c1-27-14-23(25-15-27)31(29,30)28-12-20(17-6-9-18(24)10-7-17)22(13-28)26-21-11-8-16-4-2-3-5-19(16)21/h2-7,9-10,14-15,20-22,26H,8,11-13H2,1H3/t20-,21-,22+/m1/s1
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0.00100n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM309129
PNG
((3R,4S)-4-(4-fluorophenyl)-N-[4-fluoro-3-(trifluor...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2ccc(F)c(OC(F)(F)F)c2)[C@H](C1)c1ccc(F)cc1
Show InChI InChI=1S/C21H19F5N4O3S/c1-29-11-20(27-12-29)34(31,32)30-9-16(13-2-4-14(22)5-3-13)18(10-30)28-15-6-7-17(23)19(8-15)33-21(24,25)26/h2-8,11-12,16,18,28H,9-10H2,1H3/t16-,18+/m1/s1
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0.00200n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM308813
PNG
((3R,4S)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidazo...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cccc(c2)C(F)(F)F)[C@H](C1)c1ccc(F)cc1
Show InChI InChI=1S/C21H20F4N4O2S/c1-28-12-20(26-13-28)32(30,31)29-10-18(14-5-7-16(22)8-6-14)19(11-29)27-17-4-2-3-15(9-17)21(23,24)25/h2-9,12-13,18-19,27H,10-11H2,1H3/t18-,19+/m1/s1
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0.00200n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50366117
PNG
(CHEMBL4176089)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cccc(OC(F)(F)F)c2)[C@H](C1)C1OCCCO1
Show InChI InChI=1S/C19H23F3N4O5S/c1-25-11-17(23-12-25)32(27,28)26-9-15(18-29-6-3-7-30-18)16(10-26)24-13-4-2-5-14(8-13)31-19(20,21)22/h2,4-5,8,11-12,15-16,18,24H,3,6-7,9-10H2,1H3/t15-,16-/m0/s1
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0.00200n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50365371
PNG
(CHEMBL4168242)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cccc(OC(F)(F)F)c2)[C@H](C1)C1OCCCCO1
Show InChI InChI=1S/C20H25F3N4O5S/c1-26-12-18(24-13-26)33(28,29)27-10-16(19-30-7-2-3-8-31-19)17(11-27)25-14-5-4-6-15(9-14)32-20(21,22)23/h4-6,9,12-13,16-17,19,25H,2-3,7-8,10-11H2,1H3/t16-,17-/m0/s1
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0.00200n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50365378
PNG
(CHEMBL4160468)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cccc(OC(F)(F)F)c2)[C@H](C1)[C@H]1CCCCO1
Show InChI InChI=1S/C20H25F3N4O4S/c1-26-12-19(24-13-26)32(28,29)27-10-16(18-7-2-3-8-30-18)17(11-27)25-14-5-4-6-15(9-14)31-20(21,22)23/h4-6,9,12-13,16-18,25H,2-3,7-8,10-11H2,1H3/t16-,17-,18+/m0/s1
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0.00300n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50366116
PNG
(CHEMBL4174148)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CC(Nc2cccc(Cl)c2)C(C1)c1ccc(F)cc1
Show InChI InChI=1S/C20H20ClFN4O2S/c1-25-12-20(23-13-25)29(27,28)26-10-18(14-5-7-16(22)8-6-14)19(11-26)24-17-4-2-3-15(21)9-17/h2-9,12-13,18-19,24H,10-11H2,1H3
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0.00300n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM309315
PNG
((3R,4S)-4-(4-fluorophenyl)-N-[4-fluoro-3-(trifluor...)
Show SMILES Cn1cc(nn1)S(=O)(=O)N1C[C@H](Nc2ccc(F)c(c2)C(F)(F)F)[C@H](C1)c1ccc(F)cc1
Show InChI InChI=1S/C20H18F5N5O2S/c1-29-11-19(27-28-29)33(31,32)30-9-15(12-2-4-13(21)5-3-12)18(10-30)26-14-6-7-17(22)16(8-14)20(23,24)25/h2-8,11,15,18,26H,9-10H2,1H3/t15-,18+/m1/s1
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0.00300n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50365372
PNG
(CHEMBL4176431)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CC(Nc2cccc(c2)C(F)(F)F)C(C1)c1ccc(F)cc1
Show InChI InChI=1S/C21H20F4N4O2S/c1-28-12-20(26-13-28)32(30,31)29-10-18(14-5-7-16(22)8-6-14)19(11-29)27-17-4-2-3-15(9-17)21(23,24)25/h2-9,12-13,18-19,27H,10-11H2,1H3
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0.00300n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM308815
PNG
((3R,4S)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidazo...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cccc(OC(F)(F)F)c2)[C@H](C1)c1ccc(F)cc1
Show InChI InChI=1S/C21H20F4N4O3S/c1-28-12-20(26-13-28)33(30,31)29-10-18(14-5-7-15(22)8-6-14)19(11-29)27-16-3-2-4-17(9-16)32-21(23,24)25/h2-9,12-13,18-19,27H,10-11H2,1H3/t18-,19+/m1/s1
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0.00400n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50365385
PNG
(CHEMBL4166232)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CC(Nc2ccc(F)c(c2)C(F)(F)F)C(C1)c1ccc(F)cc1
Show InChI InChI=1S/C21H19F5N4O2S/c1-29-11-20(27-12-29)33(31,32)30-9-16(13-2-4-14(22)5-3-13)19(10-30)28-15-6-7-18(23)17(8-15)21(24,25)26/h2-8,11-12,16,19,28H,9-10H2,1H3
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0.00500n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM308876
PNG
(N-{(3R,4S)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imid...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cc(ncn2)C(F)(F)F)[C@H](C1)c1ccc(F)cc1
Show InChI InChI=1S/C19H18F4N6O2S/c1-28-9-18(26-11-28)32(30,31)29-7-14(12-2-4-13(20)5-3-12)15(8-29)27-17-6-16(19(21,22)23)24-10-25-17/h2-6,9-11,14-15H,7-8H2,1H3,(H,24,25,27)/t14-,15+/m1/s1
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0.00500n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50365377
PNG
(CHEMBL4161927)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](COc2cccc(OC(F)(F)F)c2)[C@H](C1)c1ccc(F)cc1
Show InChI InChI=1S/C22H21F4N3O4S/c1-28-12-21(27-14-28)34(30,31)29-10-16(20(11-29)15-5-7-17(23)8-6-15)13-32-18-3-2-4-19(9-18)33-22(24,25)26/h2-9,12,14,16,20H,10-11,13H2,1H3/t16-,20-/m1/s1
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0.00700n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50365375
PNG
(CHEMBL4162798)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CC(Nc2cccc(c2)C(F)(F)F)C(C1)c1ccccc1
Show InChI InChI=1S/C21H21F3N4O2S/c1-27-13-20(25-14-27)31(29,30)28-11-18(15-6-3-2-4-7-15)19(12-28)26-17-9-5-8-16(10-17)21(22,23)24/h2-10,13-14,18-19,26H,11-12H2,1H3
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0.00800n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM308854
PNG
(N-{(3R,4S)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imid...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cc(ccn2)C(F)(F)F)[C@H](C1)c1ccc(F)cc1
Show InChI InChI=1S/C20H19F4N5O2S/c1-28-11-19(26-12-28)32(30,31)29-9-16(13-2-4-15(21)5-3-13)17(10-29)27-18-8-14(6-7-25-18)20(22,23)24/h2-8,11-12,16-17H,9-10H2,1H3,(H,25,27)/t16-,17+/m1/s1
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0.00800n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50162774
PNG
(ABT-199 | VENETOCLAX | Venetoclax)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bcl2 (unknown origin)


J Med Chem 61: 2636-2651 (2018)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM356652
PNG
(US10213433, Compound 34 | trans-4-(4-{[2-(4-chloro...)
Show SMILES CO[C@H]1CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C47H54ClN7O7S/c1-47(2)18-16-34(41(27-47)32-6-8-35(48)9-7-32)30-53-20-22-54(23-21-53)36-10-14-40(44(25-36)62-38-24-33-17-19-49-45(33)51-29-38)46(56)52-63(59,60)39-13-15-42(43(26-39)55(57)58)50-28-31-4-11-37(61-3)12-5-31/h6-10,13-15,17,19,24-26,29,31,37,50H,4-5,11-12,16,18,20-23,27-28,30H2,1-3H3,(H,49,51)(H,52,56)/t31-,37-
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bcl2 (unknown origin)


J Med Chem 61: 2636-2651 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50365370
PNG
(CHEMBL4170790)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CC(Nc2cccc(Cl)c2)C(C1)c1ccccc1F
Show InChI InChI=1S/C20H20ClFN4O2S/c1-25-12-20(23-13-25)29(27,28)26-10-17(16-7-2-3-8-18(16)22)19(11-26)24-15-6-4-5-14(21)9-15/h2-9,12-13,17,19,24H,10-11H2,1H3
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0.0210n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50366249
PNG
(CHEMBL4171068)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cccc(OC(F)(F)F)c2)[C@H](C1)[C@@H]1CCCO1
Show InChI InChI=1S/C19H23F3N4O4S/c1-25-11-18(23-12-25)31(27,28)26-9-15(17-6-3-7-29-17)16(10-26)24-13-4-2-5-14(8-13)30-19(20,21)22/h2,4-5,8,11-12,15-17,24H,3,6-7,9-10H2,1H3/t15-,16-,17-/m0/s1
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0.0240n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50365380
PNG
(CHEMBL4172573)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@@H]([C@H](C1)c1ccc(F)cc1)C(=O)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C22H19F4N3O4S/c1-28-12-20(27-13-28)34(31,32)29-10-18(14-5-7-16(23)8-6-14)19(11-29)21(30)15-3-2-4-17(9-15)33-22(24,25)26/h2-9,12-13,18-19H,10-11H2,1H3/t18-,19+/m1/s1
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0.0290n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50365387
PNG
(CHEMBL4175269)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CC(Nc2cccc(Cl)c2)C(C1)c1cccc(F)c1
Show InChI InChI=1S/C20H20ClFN4O2S/c1-25-12-20(23-13-25)29(27,28)26-10-18(14-4-2-6-16(22)8-14)19(11-26)24-17-7-3-5-15(21)9-17/h2-9,12-13,18-19,24H,10-11H2,1H3
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0.0420n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50270877
PNG
((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)
Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1
Show InChI InChI=1/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/s2
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0.0440n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bcl2 (unknown origin)


J Med Chem 61: 2636-2651 (2018)

More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50270877
PNG
((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)
Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1
Show InChI InChI=1/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/s2
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0.0550n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bcl-xL (unknown origin)


J Med Chem 61: 2636-2651 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycine transporter 1


(Homo sapiens (Human))
BDBM50365381
PNG
(CHEMBL4177049)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](CNc2cccc(OC(F)(F)F)c2)[C@H](C1)c1ccc(F)cc1
Show InChI InChI=1S/C22H22F4N4O3S/c1-29-13-21(28-14-29)34(31,32)30-11-16(20(12-30)15-5-7-17(23)8-6-15)10-27-18-3-2-4-19(9-18)33-22(24,25)26/h2-9,13-14,16,20,27H,10-12H2,1H3/t16-,20+/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50365373
PNG
(CHEMBL4169188)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Cc2ccccc2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C21H23N3O2S/c1-23-15-21(22-16-23)27(25,26)24-13-19(12-17-8-4-2-5-9-17)20(14-24)18-10-6-3-7-11-18/h2-11,15-16,19-20H,12-14H2,1H3/t19-,20+/m0/s1
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0.0930n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50365368
PNG
(CHEMBL4173675)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Oc2cc(ncn2)C(F)(F)F)[C@H](C1)c1ccc(F)cc1
Show InChI InChI=1S/C19H17F4N5O3S/c1-27-9-18(26-11-27)32(29,30)28-7-14(12-2-4-13(20)5-3-12)15(8-28)31-17-6-16(19(21,22)23)24-10-25-17/h2-6,9-11,14-15H,7-8H2,1H3/t14-,15+/m1/s1
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0.0970n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50366115
PNG
(CHEMBL4160146)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CC(Nc2ccnc(c2)C(F)(F)F)C(C1)c1ccc(F)cc1
Show InChI InChI=1S/C20H19F4N5O2S/c1-28-11-19(26-12-28)32(30,31)29-9-16(13-2-4-14(21)5-3-13)17(10-29)27-15-6-7-25-18(8-15)20(22,23)24/h2-8,11-12,16-17H,9-10H2,1H3,(H,25,27)
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0.118n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50365383
PNG
(CHEMBL4162199)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CC(Nc2ccccc2)C(C1)c1ccccc1
Show InChI InChI=1S/C20H22N4O2S/c1-23-14-20(21-15-23)27(25,26)24-12-18(16-8-4-2-5-9-16)19(13-24)22-17-10-6-3-7-11-17/h2-11,14-15,18-19,22H,12-13H2,1H3
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0.199n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50365379
PNG
(CHEMBL4165757)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@@H]([C@H](C1)c1ccc(F)cc1)C(=O)Nc1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C22H20F4N4O4S/c1-29-12-20(27-13-29)35(32,33)30-10-18(14-5-7-15(23)8-6-14)19(11-30)21(31)28-16-3-2-4-17(9-16)34-22(24,25)26/h2-9,12-13,18-19H,10-11H2,1H3,(H,28,31)/t18-,19+/m1/s1
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0.360n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50457489
PNG
(CHEMBL4208129)
Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccccn1
Show InChI InChI=1S/C22H20N4O3S/c1-25-12-17-16-9-14(13-30(2,28)29)6-7-18(16)26(19-5-3-4-8-23-19)11-15-10-24-21(20(15)17)22(25)27/h3-10,12,24H,11,13H2,1-2H3
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0.480n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to BRD2 bromodomain 1 to 2 (G73 to A560 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by b...


Bioorg Med Chem Lett 28: 1804-1810 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50457489
PNG
(CHEMBL4208129)
Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccccn1
Show InChI InChI=1S/C22H20N4O3S/c1-25-12-17-16-9-14(13-30(2,28)29)6-7-18(16)26(19-5-3-4-8-23-19)11-15-10-24-21(20(15)17)22(25)27/h3-10,12,24H,11,13H2,1-2H3
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0.620n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BRD4 bromodomain 1 to 2 (K57 to K550 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent...


Bioorg Med Chem Lett 28: 1804-1810 (2018)

More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50457489
PNG
(CHEMBL4208129)
Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccccn1
Show InChI InChI=1S/C22H20N4O3S/c1-25-12-17-16-9-14(13-30(2,28)29)6-7-18(16)26(19-5-3-4-8-23-19)11-15-10-24-21(20(15)17)22(25)27/h3-10,12,24H,11,13H2,1-2H3
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0.690n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to BRDT bromodomain 1 to 2 (N21to P380 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by br...


Bioorg Med Chem Lett 28: 1804-1810 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50457496
PNG
(CHEMBL4217457)
Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccc(F)cc1F
Show InChI InChI=1S/C23H19F2N3O3S/c1-27-11-17-16-7-13(12-32(2,30)31)3-5-19(16)28(20-6-4-15(24)8-18(20)25)10-14-9-26-22(21(14)17)23(27)29/h3-9,11,26H,10,12H2,1-2H3
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0.730n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to BRD4 bromodomain 2 (E352 to M457 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by bromo...


Bioorg Med Chem Lett 28: 1804-1810 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50365376
PNG
(CHEMBL4174212)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CC(Nc2cccc(c2)C(F)(F)F)C(C1)c1cccnc1
Show InChI InChI=1S/C20H20F3N5O2S/c1-27-12-19(25-13-27)31(29,30)28-10-17(14-4-3-7-24-9-14)18(11-28)26-16-6-2-5-15(8-16)20(21,22)23/h2-9,12-13,17-18,26H,10-11H2,1H3
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0.766n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50457500
PNG
(CHEMBL4212498)
Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H20FN3O3S/c1-26-12-19-18-9-14(13-31(2,29)30)3-8-20(18)27(17-6-4-16(24)5-7-17)11-15-10-25-22(21(15)19)23(26)28/h3-10,12,25H,11,13H2,1-2H3
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0.870n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BRD4 bromodomain 1 to 2 (K57 to K550 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent...


Bioorg Med Chem Lett 28: 1804-1810 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50457496
PNG
(CHEMBL4217457)
Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccc(F)cc1F
Show InChI InChI=1S/C23H19F2N3O3S/c1-27-11-17-16-7-13(12-32(2,30)31)3-5-19(16)28(20-6-4-15(24)8-18(20)25)10-14-9-26-22(21(14)17)23(27)29/h3-9,11,26H,10,12H2,1-2H3
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0.870n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BRD4 bromodomain 1 to 2 (K57 to K550 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent...


Bioorg Med Chem Lett 28: 1804-1810 (2018)

More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/s2
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<1n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bcl-xL (unknown origin)


J Med Chem 61: 2636-2651 (2018)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/s2
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<1n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bcl2 (unknown origin)


J Med Chem 61: 2636-2651 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50365386
PNG
(CHEMBL4167394)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CC(Nc2cncc(c2)C(F)(F)F)C(C1)c1ccc(F)cc1
Show InChI InChI=1S/C20H19F4N5O2S/c1-28-11-19(26-12-28)32(30,31)29-9-17(13-2-4-15(21)5-3-13)18(10-29)27-16-6-14(7-25-8-16)20(22,23)24/h2-8,11-12,17-18,27H,9-10H2,1H3
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1.20n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50457489
PNG
(CHEMBL4208129)
Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccccn1
Show InChI InChI=1S/C22H20N4O3S/c1-25-12-17-16-9-14(13-30(2,28)29)6-7-18(16)26(19-5-3-4-8-23-19)11-15-10-24-21(20(15)17)22(25)27/h3-10,12,24H,11,13H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to BRD4 bromodomain 1 (K57 to E168 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by bromod...


Bioorg Med Chem Lett 28: 1804-1810 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50457495
PNG
(CHEMBL4215988)
Show SMILES Cn1cc2CN(c3ccc(F)cc3)c3ccc(CS(C)(=O)=O)cc3-c3c[nH]c(=O)c1c23
Show InChI InChI=1S/C23H20FN3O3S/c1-26-11-15-12-27(17-6-4-16(24)5-7-17)20-8-3-14(13-31(2,29)30)9-18(20)19-10-25-23(28)22(26)21(15)19/h3-11H,12-13H2,1-2H3,(H,25,28)
PDB

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1.20n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to BRD4 bromodomain 1 (K57 to E168 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by bromod...


Bioorg Med Chem Lett 28: 1804-1810 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50365389
PNG
(CHEMBL4169148)
Show SMILES Cc1ccc(NC2CN(CC2c2ccccc2)S(=O)(=O)c2cn(C)cn2)cc1
Show InChI InChI=1S/C21H24N4O2S/c1-16-8-10-18(11-9-16)23-20-13-25(12-19(20)17-6-4-3-5-7-17)28(26,27)21-14-24(2)15-22-21/h3-11,14-15,19-20,23H,12-13H2,1-2H3
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PC sid
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PubMed
1.30n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50365384
PNG
(CHEMBL4162376)
Show SMILES Cc1ccccc1NC1CN(CC1c1ccccc1)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C21H24N4O2S/c1-16-8-6-7-11-19(16)23-20-13-25(12-18(20)17-9-4-3-5-10-17)28(26,27)21-14-24(2)15-22-21/h3-11,14-15,18,20,23H,12-13H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...


J Med Chem 61: 7486-7502 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM220447
PNG
(US9296741, 36)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BRD4 bromodomain 1 to 2 (K57 to K550 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent...


Bioorg Med Chem Lett 28: 1804-1810 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50457489
PNG
(CHEMBL4208129)
Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccccn1
Show InChI InChI=1S/C22H20N4O3S/c1-25-12-17-16-9-14(13-30(2,28)29)6-7-18(16)26(19-5-3-4-8-23-19)11-15-10-24-21(20(15)17)22(25)27/h3-10,12,24H,11,13H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to BRD4 bromodomain 2 (E352 to M457 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by bromo...


Bioorg Med Chem Lett 28: 1804-1810 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50457496
PNG
(CHEMBL4217457)
Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccc(F)cc1F
Show InChI InChI=1S/C23H19F2N3O3S/c1-27-11-17-16-7-13(12-32(2,30)31)3-5-19(16)28(20-6-4-15(24)8-18(20)25)10-14-9-26-22(21(14)17)23(27)29/h3-9,11,26H,10,12H2,1-2H3
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2.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to BRD2 bromodomain 1 to 2 (G73 to A560 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by b...


Bioorg Med Chem Lett 28: 1804-1810 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50457495
PNG
(CHEMBL4215988)
Show SMILES Cn1cc2CN(c3ccc(F)cc3)c3ccc(CS(C)(=O)=O)cc3-c3c[nH]c(=O)c1c23
Show InChI InChI=1S/C23H20FN3O3S/c1-26-11-15-12-27(17-6-4-16(24)5-7-17)20-8-3-14(13-31(2,29)30)9-18(20)19-10-25-23(28)22(26)21(15)19/h3-11H,12-13H2,1-2H3,(H,25,28)
PDB

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2.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to BRD4 bromodomain 2 (E352 to M457 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by bromo...


Bioorg Med Chem Lett 28: 1804-1810 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50457495
PNG
(CHEMBL4215988)
Show SMILES Cn1cc2CN(c3ccc(F)cc3)c3ccc(CS(C)(=O)=O)cc3-c3c[nH]c(=O)c1c23
Show InChI InChI=1S/C23H20FN3O3S/c1-26-11-15-12-27(17-6-4-16(24)5-7-17)20-8-3-14(13-31(2,29)30)9-18(20)19-10-25-23(28)22(26)21(15)19/h3-11H,12-13H2,1-2H3,(H,25,28)
PDB

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2.60n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to BRD2 bromodomain 1 to 2 (G73 to A560 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by b...


Bioorg Med Chem Lett 28: 1804-1810 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50457496
PNG
(CHEMBL4217457)
Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccc(F)cc1F
Show InChI InChI=1S/C23H19F2N3O3S/c1-27-11-17-16-7-13(12-32(2,30)31)3-5-19(16)28(20-6-4-15(24)8-18(20)25)10-14-9-26-22(21(14)17)23(27)29/h3-9,11,26H,10,12H2,1-2H3
PDB

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2.60n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to BRD4 bromodomain 1 (K57 to E168 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by bromod...


Bioorg Med Chem Lett 28: 1804-1810 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50457506
PNG
(CHEMBL4204316)
Show SMILES Cn1cc2CN(c3ccc(F)cc3F)c3ccc(CS(C)(=O)=O)cc3-c3c[nH]c(=O)c1c23
Show InChI InChI=1S/C23H19F2N3O3S/c1-27-10-14-11-28(20-6-4-15(24)8-18(20)25)19-5-3-13(12-32(2,30)31)7-16(19)17-9-26-23(29)22(27)21(14)17/h3-10H,11-12H2,1-2H3,(H,26,29)
PDB

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2.70n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BRD4 bromodomain 1 to 2 (K57 to K550 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent...


Bioorg Med Chem Lett 28: 1804-1810 (2018)

More data for this
Ligand-Target Pair
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