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Compile Data Set for Download or QSAR

Found 153 hits with Last Name = 'grebinski' and Initial = 'j'   
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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122323
PNG
(CHEMBL3622146)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C)c(s1)C(=O)N1CCS(=O)(=O)CC1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C27H32N8O4S2/c1-4-34-19(25(36)35(16-5-6-16)17-7-8-17)13-18-21-20(28-14-32(21)3)23(30-24(18)34)31-27-29-15(2)22(40-27)26(37)33-9-11-41(38,39)12-10-33/h13-14,16-17H,4-12H2,1-3H3,(H,29,30,31)
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n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122326
PNG
(CHEMBL3622143)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C)c(s1)C(=O)NC)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C24H28N8O2S/c1-5-31-16(23(34)32(13-6-7-13)14-8-9-14)10-15-18-17(26-11-30(18)4)20(28-21(15)31)29-24-27-12(2)19(35-24)22(33)25-3/h10-11,13-14H,5-9H2,1-4H3,(H,25,33)(H,27,28,29)
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n/an/a 0.900n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122318
PNG
(BMS-911543)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122319
PNG
(CHEMBL3622150)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)[nH]n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H26N8O/c1-4-29-16(22(31)30(13-5-6-13)14-7-8-14)10-15-19-18(23-11-28(19)3)20(25-21(15)29)24-17-9-12(2)26-27-17/h9-11,13-14H,4-8H2,1-3H3,(H2,24,25,26,27)
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n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50121379
PNG
(CHEMBL3622134)
Show SMILES CCn1c(cc2c1nc(Nc1nccs1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C21H23N7OS/c1-3-27-15(20(29)28(12-4-5-12)13-6-7-13)10-14-17-16(23-11-26(17)2)18(24-19(14)27)25-21-22-8-9-30-21/h8-13H,3-7H2,1-2H3,(H,22,24,25)
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Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using 5-FAMKKKKEEIYFFFG-OH as substrate after 60 mins by HTRF assay


ACS Med Chem Lett 6: 845-9 (2015)


BindingDB Entry DOI: 10.7270/Q2Q2421M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122327
PNG
(CHEMBL3622142)
Show SMILES CCc1nc(Nc2nc3n(CC)c(cc3c3n(C)cnc23)C(=O)N(C2CC2)C2CC2)sc1C
Show InChI InChI=1S/C24H29N7OS/c1-5-17-13(3)33-24(26-17)28-21-19-20(29(4)12-25-19)16-11-18(30(6-2)22(16)27-21)23(32)31(14-7-8-14)15-9-10-15/h11-12,14-15H,5-10H2,1-4H3,(H,26,27,28)
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Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122324
PNG
(CHEMBL3622145)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C)c(s1)S(C)(=O)=O)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-5-29-16(21(31)30(13-6-7-13)14-8-9-14)10-15-18-17(24-11-28(18)3)19(26-20(15)29)27-23-25-12(2)22(34-23)35(4,32)33/h10-11,13-14H,5-9H2,1-4H3,(H,25,26,27)
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Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122321
PNG
(CHEMBL3622148)
Show SMILES CCn1nc(Nc2nc3n(CC)c(cc3c3n(C)cnc23)C(=O)N(C2CC2)C2CC2)cc1C
Show InChI InChI=1S/C24H30N8O/c1-5-30-18(24(33)32(15-7-8-15)16-9-10-16)12-17-21-20(25-13-29(21)4)22(27-23(17)30)26-19-11-14(3)31(6-2)28-19/h11-13,15-16H,5-10H2,1-4H3,(H,26,27,28)
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Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50121378
PNG
(CHEMBL3622135)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C)cs1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H25N7OS/c1-4-28-16(21(30)29(13-5-6-13)14-7-8-14)9-15-18-17(23-11-27(18)3)19(25-20(15)28)26-22-24-12(2)10-31-22/h9-11,13-14H,4-8H2,1-3H3,(H,24,25,26)
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n/an/a 1.90n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using 5-FAMKKKKEEIYFFFG-OH as substrate after 60 mins by HTRF assay


ACS Med Chem Lett 6: 845-9 (2015)


BindingDB Entry DOI: 10.7270/Q2Q2421M
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50122319
PNG
(CHEMBL3622150)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)[nH]n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H26N8O/c1-4-29-16(22(31)30(13-5-6-13)14-7-8-14)10-15-19-18(23-11-28(19)3)20(25-21(15)29)24-17-9-12(2)26-27-17/h9-11,13-14H,4-8H2,1-3H3,(H2,24,25,26,27)
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n/an/a 1.90n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant TYK2 (unknown origin) by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50121377
PNG
(CHEMBL3622136)
Show SMILES CCn1c(cc2c1nc(Nc1ncc(C)s1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H25N7OS/c1-4-28-16(21(30)29(13-5-6-13)14-7-8-14)9-15-18-17(24-11-27(18)3)19(25-20(15)28)26-22-23-10-12(2)31-22/h9-11,13-14H,4-8H2,1-3H3,(H,23,25,26)
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n/an/a 2.10n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using 5-FAMKKKKEEIYFFFG-OH as substrate after 60 mins by HTRF assay


ACS Med Chem Lett 6: 845-9 (2015)


BindingDB Entry DOI: 10.7270/Q2Q2421M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50121391
PNG
(CHEMBL3622137)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C)c(C)s1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C23H27N7OS/c1-5-29-17(22(31)30(14-6-7-14)15-8-9-15)10-16-19-18(24-11-28(19)4)20(26-21(16)29)27-23-25-12(2)13(3)32-23/h10-11,14-15H,5-9H2,1-4H3,(H,25,26,27)
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n/an/a 2.5n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using 5-FAMKKKKEEIYFFFG-OH as substrate after 60 mins by HTRF assay


ACS Med Chem Lett 6: 845-9 (2015)


BindingDB Entry DOI: 10.7270/Q2Q2421M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122325
PNG
(CHEMBL3622144)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C(=O)NC)c(C)s1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C24H28N8O2S/c1-5-31-16(23(34)32(13-6-7-13)14-8-9-14)10-15-19-18(26-11-30(19)4)20(28-21(15)31)29-24-27-17(12(2)35-24)22(33)25-3/h10-11,13-14H,5-9H2,1-4H3,(H,25,33)(H,27,28,29)
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n/an/a 3.10n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50121383
PNG
(CHEMBL3622130)
Show SMILES CCn1c(cc2c1nc(NC)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C19H24N6O/c1-4-24-14(19(26)25(11-5-6-11)12-7-8-12)9-13-16-15(21-10-23(16)3)17(20-2)22-18(13)24/h9-12H,4-8H2,1-3H3,(H,20,22)
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Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using 5-FAMKKKKEEIYFFFG-OH as substrate after 60 mins by HTRF assay


ACS Med Chem Lett 6: 845-9 (2015)


BindingDB Entry DOI: 10.7270/Q2Q2421M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50121385
PNG
(CHEMBL3622128)
Show SMILES CNc1nc2n(CCCO)c(cc2c2n(C)cnc12)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C20H26N6O2/c1-21-18-16-17(24(2)11-22-16)14-10-15(25(8-3-9-27)19(14)23-18)20(28)26(12-4-5-12)13-6-7-13/h10-13,27H,3-9H2,1-2H3,(H,21,23)
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Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using 5-FAMKKKKEEIYFFFG-OH as substrate after 60 mins by HTRF assay


ACS Med Chem Lett 6: 845-9 (2015)


BindingDB Entry DOI: 10.7270/Q2Q2421M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50121390
PNG
(CHEMBL3622138)
Show SMILES CNc1nc2n(C[C@H](O)CO)c(cc2c2n(C)cnc12)-c1nnnn1C1CC1 |r|
Show InChI InChI=1/C17H21N9O2/c1-18-15-13-14(24(2)8-19-13)11-5-12(17-21-22-23-26(17)9-3-4-9)25(16(11)20-15)6-10(28)7-27/h5,8-10,27-28H,3-4,6-7H2,1-2H3,(H,18,20)/t10-/s2
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n/an/a 7.80n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using 5-FAMKKKKEEIYFFFG-OH as substrate after 60 mins by HTRF assay


ACS Med Chem Lett 6: 845-9 (2015)


BindingDB Entry DOI: 10.7270/Q2Q2421M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50121386
PNG
(CHEMBL3622127)
Show SMILES CNc1nc2n(C[C@H](O)CO)c(cc2c2n(C)cnc12)C(=O)N(C1CC1)C1CC1 |r|
Show InChI InChI=1/C20H26N6O3/c1-21-18-16-17(24(2)10-22-16)14-7-15(25(19(14)23-18)8-13(28)9-27)20(29)26(11-3-4-11)12-5-6-12/h7,10-13,27-28H,3-6,8-9H2,1-2H3,(H,21,23)/t13-/s2
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n/an/a 8.20n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using 5-FAMKKKKEEIYFFFG-OH as substrate after 60 mins by HTRF assay


ACS Med Chem Lett 6: 845-9 (2015)


BindingDB Entry DOI: 10.7270/Q2Q2421M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384358
PNG
(CHEMBL2031027 | US9346795, 92)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C41H45ClN6O5S/c1-4-6-20-46(21-7-5-2)41(51)38-37(42)27(3)48(44-38)36-19-17-31(39(49)45-54(52,53)34-18-16-28-12-8-9-14-30(28)23-34)24-35(36)40(50)47-26-32-15-11-10-13-29(32)22-33(47)25-43/h8-19,23-24,33H,4-7,20-22,25-26,43H2,1-3H3,(H,45,49)/t33-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50121391
PNG
(CHEMBL3622137)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C)c(C)s1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C23H27N7OS/c1-5-29-17(22(31)30(14-6-7-14)15-8-9-15)10-16-19-18(24-11-28(19)4)20(26-21(16)29)27-23-25-12(2)13(3)32-23/h10-11,14-15H,5-9H2,1-4H3,(H,25,26,27)
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant Fyn (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assay


ACS Med Chem Lett 6: 845-9 (2015)


BindingDB Entry DOI: 10.7270/Q2Q2421M
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384358
PNG
(CHEMBL2031027 | US9346795, 92)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C41H45ClN6O5S/c1-4-6-20-46(21-7-5-2)41(51)38-37(42)27(3)48(44-38)36-19-17-31(39(49)45-54(52,53)34-18-16-28-12-8-9-14-30(28)23-34)24-35(36)40(50)47-26-32-15-11-10-13-29(32)22-33(47)25-43/h8-19,23-24,33H,4-7,20-22,25-26,43H2,1-3H3,(H,45,49)/t33-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384355
PNG
(CHEMBL2031024 | US9346795, 91)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C41H44ClN5O6S/c1-4-6-20-45(21-7-5-2)41(51)38-37(42)27(3)47(43-38)36-19-17-31(39(49)44-54(52,53)34-18-16-28-12-8-9-14-30(28)23-34)24-35(36)40(50)46-25-32-15-11-10-13-29(32)22-33(46)26-48/h8-19,23-24,33,48H,4-7,20-22,25-26H2,1-3H3,(H,44,49)/t33-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50121380
PNG
(CHEMBL3622133)
Show SMILES CCn1c(cc2c1nc(NC(=O)NCCOC)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H29N7O3/c1-4-28-16(21(30)29(13-5-6-13)14-7-8-14)11-15-18-17(24-12-27(18)2)19(25-20(15)28)26-22(31)23-9-10-32-3/h11-14H,4-10H2,1-3H3,(H2,23,25,26,31)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using 5-FAMKKKKEEIYFFFG-OH as substrate after 60 mins by HTRF assay


ACS Med Chem Lett 6: 845-9 (2015)


BindingDB Entry DOI: 10.7270/Q2Q2421M
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384341
PNG
(CHEMBL2031029)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCOCC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C45H51ClN6O6S/c1-4-6-20-50(21-7-5-2)45(55)42-41(46)31(3)52(47-42)40-19-17-35(43(53)48-59(56,57)38-18-16-32-12-8-9-14-34(32)27-38)28-39(40)44(54)51-29-36-15-11-10-13-33(36)26-37(51)30-49-22-24-58-25-23-49/h8-19,27-28,37H,4-7,20-26,29-30H2,1-3H3,(H,48,53)/t37-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50121384
PNG
(CHEMBL3622129)
Show SMILES CNc1nc2n(C[C@@H](C)O)c(cc2c2n(C)cnc12)C(=O)N(C1CC1)C1CC1 |r|
Show InChI InChI=1/C20H26N6O2/c1-11(27)9-25-15(20(28)26(12-4-5-12)13-6-7-13)8-14-17-16(22-10-24(17)3)18(21-2)23-19(14)25/h8,10-13,27H,4-7,9H2,1-3H3,(H,21,23)/t11-/s2
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using 5-FAMKKKKEEIYFFFG-OH as substrate after 60 mins by HTRF assay


ACS Med Chem Lett 6: 845-9 (2015)


BindingDB Entry DOI: 10.7270/Q2Q2421M
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384347
PNG
(CHEMBL2031016)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCc3ccc(cc3)C(O)=O)c2c1
Show InChI InChI=1S/C48H48ClN5O8S/c1-4-6-24-52(25-7-5-2)47(57)44-43(49)31(3)54(50-44)41-22-20-36(27-40(41)46(56)53-26-23-33-11-8-9-12-37(33)29-53)45(55)51-63(60,61)38-21-19-34-13-10-14-42(39(34)28-38)62-30-32-15-17-35(18-16-32)48(58)59/h8-22,27-28H,4-7,23-26,29-30H2,1-3H3,(H,51,55)(H,58,59)
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384341
PNG
(CHEMBL2031029)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCOCC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C45H51ClN6O6S/c1-4-6-20-50(21-7-5-2)45(55)42-41(46)31(3)52(47-42)40-19-17-35(43(53)48-59(56,57)38-18-16-32-12-8-9-14-34(32)27-38)28-39(40)44(54)51-29-36-15-11-10-13-33(36)26-37(51)30-49-22-24-58-25-23-49/h8-19,27-28,37H,4-7,20-26,29-30H2,1-3H3,(H,48,53)/t37-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384353
PNG
(CHEMBL2031022 | US9346795, 59)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
Show InChI InChI=1S/C45H47Cl3N6O5S/c1-4-6-20-51(21-7-5-2)45(57)42-41(48)29(3)54(49-42)40-16-13-33(26-36(40)44(56)53-23-18-31-10-8-9-11-34(31)28-53)43(55)50-60(58,59)35-14-17-39-32(25-35)19-22-52(39)27-30-12-15-37(46)38(47)24-30/h8-17,24-26H,4-7,18-23,27-28H2,1-3H3,(H,50,55)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50122319
PNG
(CHEMBL3622150)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)[nH]n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H26N8O/c1-4-29-16(22(31)30(13-5-6-13)14-7-8-14)10-15-19-18(23-11-28(19)3)20(25-21(15)29)24-17-9-12(2)26-27-17/h9-11,13-14H,4-8H2,1-3H3,(H2,24,25,26,27)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384352
PNG
(CHEMBL2031021 | US9346795, 53)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CC)CCc2c1
Show InChI InChI=1S/C40H47ClN6O5S/c1-5-8-20-45(21-9-6-2)40(50)37-36(41)27(4)47(42-37)35-16-14-30(25-33(35)39(49)46-23-18-28-12-10-11-13-31(28)26-46)38(48)43-53(51,52)32-15-17-34-29(24-32)19-22-44(34)7-3/h10-17,24-25H,5-9,18-23,26H2,1-4H3,(H,43,48)
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384347
PNG
(CHEMBL2031016)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCc3ccc(cc3)C(O)=O)c2c1
Show InChI InChI=1S/C48H48ClN5O8S/c1-4-6-24-52(25-7-5-2)47(57)44-43(49)31(3)54(50-44)41-22-20-36(27-40(41)46(56)53-26-23-33-11-8-9-12-37(33)29-53)45(55)51-63(60,61)38-21-19-34-13-10-14-42(39(34)28-38)62-30-32-15-17-35(18-16-32)48(58)59/h8-22,27-28H,4-7,23-26,29-30H2,1-3H3,(H,51,55)(H,58,59)
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50122326
PNG
(CHEMBL3622143)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C)c(s1)C(=O)NC)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C24H28N8O2S/c1-5-31-16(23(34)32(13-6-7-13)14-8-9-14)10-15-18-17(26-11-30(18)4)20(28-21(15)31)29-24-27-12(2)19(35-24)22(33)25-3/h10-11,13-14H,5-9H2,1-4H3,(H,25,33)(H,27,28,29)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50122326
PNG
(CHEMBL3622143)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C)c(s1)C(=O)NC)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C24H28N8O2S/c1-5-31-16(23(34)32(13-6-7-13)14-8-9-14)10-15-18-17(26-11-30(18)4)20(28-21(15)31)29-24-27-12(2)19(35-24)22(33)25-3/h10-11,13-14H,5-9H2,1-4H3,(H,25,33)(H,27,28,29)
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Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK3 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384360
PNG
(CHEMBL2031030)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCCC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C45H51ClN6O5S/c1-4-6-24-50(25-7-5-2)45(55)42-41(46)31(3)52(47-42)40-21-19-35(43(53)48-58(56,57)38-20-18-32-14-8-9-16-34(32)27-38)28-39(40)44(54)51-29-36-17-11-10-15-33(36)26-37(51)30-49-22-12-13-23-49/h8-11,14-21,27-28,37H,4-7,12-13,22-26,29-30H2,1-3H3,(H,48,53)/t37-/m0/s1
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Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50121379
PNG
(CHEMBL3622134)
Show SMILES CCn1c(cc2c1nc(Nc1nccs1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C21H23N7OS/c1-3-27-15(20(29)28(12-4-5-12)13-6-7-13)10-14-17-16(23-11-26(17)2)18(24-19(14)27)25-21-22-8-9-30-21/h8-13H,3-7H2,1-2H3,(H,22,24,25)
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as inhibition of cell proliferation after 72 hrs by [3H]-thymidine incorporation assay


ACS Med Chem Lett 6: 845-9 (2015)


BindingDB Entry DOI: 10.7270/Q2Q2421M
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384356
PNG
(CHEMBL2031025 | US9346795, 105)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1COCCCOC)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C45H52ClN5O7S/c1-5-7-22-49(23-8-6-2)45(54)42-41(46)31(3)51(47-42)40-21-19-35(43(52)48-59(55,56)38-20-18-32-14-9-10-16-34(32)27-38)28-39(40)44(53)50-29-36-17-12-11-15-33(36)26-37(50)30-58-25-13-24-57-4/h9-12,14-21,27-28,37H,5-8,13,22-26,29-30H2,1-4H3,(H,48,52)/t37-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384359
PNG
(CHEMBL2031028)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCN(C)CC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C46H54ClN7O5S/c1-5-7-21-52(22-8-6-2)46(57)43-42(47)32(3)54(48-43)41-20-18-36(44(55)49-60(58,59)39-19-17-33-13-9-10-15-35(33)28-39)29-40(41)45(56)53-30-37-16-12-11-14-34(37)27-38(53)31-51-25-23-50(4)24-26-51/h9-20,28-29,38H,5-8,21-27,30-31H2,1-4H3,(H,49,55)/t38-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50122325
PNG
(CHEMBL3622144)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C(=O)NC)c(C)s1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C24H28N8O2S/c1-5-31-16(23(34)32(13-6-7-13)14-8-9-14)10-15-19-18(26-11-30(19)4)20(28-21(15)31)29-24-27-17(12(2)35-24)22(33)25-3/h10-11,13-14H,5-9H2,1-4H3,(H,25,33)(H,27,28,29)
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50121378
PNG
(CHEMBL3622135)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C)cs1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H25N7OS/c1-4-28-16(21(30)29(13-5-6-13)14-7-8-14)9-15-18-17(23-11-27(18)3)19(25-20(15)28)26-22-24-12(2)10-31-22/h9-11,13-14H,4-8H2,1-3H3,(H,24,25,26)
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK3 (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assay


ACS Med Chem Lett 6: 845-9 (2015)


BindingDB Entry DOI: 10.7270/Q2Q2421M
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384350
PNG
(CHEMBL2031019)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2NCCc2c1
Show InChI InChI=1S/C38H43ClN6O5S/c1-4-6-19-43(20-7-5-2)38(48)35-34(39)25(3)45(41-35)33-15-12-28(23-31(33)37(47)44-21-17-26-10-8-9-11-29(26)24-44)36(46)42-51(49,50)30-13-14-32-27(22-30)16-18-40-32/h8-15,22-23,40H,4-7,16-21,24H2,1-3H3,(H,42,46)
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384344
PNG
(CHEMBL2031012 | US9346795, 1)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C40H42ClN5O5S/c1-4-6-21-44(22-7-5-2)40(49)37-36(41)27(3)46(42-37)35-19-17-31(25-34(35)39(48)45-23-20-29-13-9-11-15-32(29)26-45)38(47)43-52(50,51)33-18-16-28-12-8-10-14-30(28)24-33/h8-19,24-25H,4-7,20-23,26H2,1-3H3,(H,43,47)
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50121377
PNG
(CHEMBL3622136)
Show SMILES CCn1c(cc2c1nc(Nc1ncc(C)s1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H25N7OS/c1-4-28-16(21(30)29(13-5-6-13)14-7-8-14)9-15-18-17(24-11-27(18)3)19(25-20(15)28)26-22-23-10-12(2)31-22/h9-11,13-14H,4-8H2,1-3H3,(H,23,25,26)
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as inhibition of cell proliferation after 72 hrs by [3H]-thymidine incorporation assay


ACS Med Chem Lett 6: 845-9 (2015)


BindingDB Entry DOI: 10.7270/Q2Q2421M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50121381
PNG
(CHEMBL3622132)
Show SMILES CCn1c(cc2c1nc(NC(=O)OCCOC)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H28N6O4/c1-4-27-16(21(29)28(13-5-6-13)14-7-8-14)11-15-18-17(23-12-26(18)2)19(24-20(15)27)25-22(30)32-10-9-31-3/h11-14H,4-10H2,1-3H3,(H,24,25,30)
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using 5-FAMKKKKEEIYFFFG-OH as substrate after 60 mins by HTRF assay


ACS Med Chem Lett 6: 845-9 (2015)


BindingDB Entry DOI: 10.7270/Q2Q2421M
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384362
PNG
(CHEMBL2031032)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CNc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C39H41ClN6O5S/c1-4-6-20-44(21-7-5-2)39(49)36-35(40)26(3)46(42-36)34-19-17-29(23-32(34)38(48)45-24-30-14-10-11-15-33(30)41-25-45)37(47)43-52(50,51)31-18-16-27-12-8-9-13-28(27)22-31/h8-19,22-23,41H,4-7,20-21,24-25H2,1-3H3,(H,43,47)
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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384362
PNG
(CHEMBL2031032)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CNc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C39H41ClN6O5S/c1-4-6-20-44(21-7-5-2)39(49)36-35(40)26(3)46(42-36)34-19-17-29(23-32(34)38(48)45-24-30-14-10-11-15-33(30)41-25-45)37(47)43-52(50,51)31-18-16-27-12-8-9-13-28(27)22-31/h8-19,22-23,41H,4-7,20-21,24-25H2,1-3H3,(H,43,47)
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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50121379
PNG
(CHEMBL3622134)
Show SMILES CCn1c(cc2c1nc(Nc1nccs1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C21H23N7OS/c1-3-27-15(20(29)28(12-4-5-12)13-6-7-13)10-14-17-16(23-11-26(17)2)18(24-19(14)27)25-21-22-8-9-30-21/h8-13H,3-7H2,1-2H3,(H,22,24,25)
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n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tyk2 (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assay


ACS Med Chem Lett 6: 845-9 (2015)


BindingDB Entry DOI: 10.7270/Q2Q2421M
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384356
PNG
(CHEMBL2031025 | US9346795, 105)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1COCCCOC)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C45H52ClN5O7S/c1-5-7-22-49(23-8-6-2)45(54)42-41(46)31(3)51(47-42)40-21-19-35(43(52)48-59(55,56)38-20-18-32-14-9-10-16-34(32)27-38)28-39(40)44(53)50-29-36-17-12-11-15-33(36)26-37(50)30-58-25-13-24-57-4/h9-12,14-21,27-28,37H,5-8,13,22-26,29-30H2,1-4H3,(H,48,52)/t37-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50122323
PNG
(CHEMBL3622146)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C)c(s1)C(=O)N1CCS(=O)(=O)CC1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C27H32N8O4S2/c1-4-34-19(25(36)35(16-5-6-16)17-7-8-17)13-18-21-20(28-14-32(21)3)23(30-24(18)34)31-27-29-15(2)22(40-27)26(37)33-9-11-41(38,39)12-10-33/h13-14,16-17H,4-12H2,1-3H3,(H,29,30,31)
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n/an/a 31n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK3 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384344
PNG
(CHEMBL2031012 | US9346795, 1)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C40H42ClN5O5S/c1-4-6-21-44(22-7-5-2)40(49)37-36(41)27(3)46(42-37)35-19-17-31(25-34(35)39(48)45-23-20-29-13-9-11-15-32(29)26-45)38(47)43-52(50,51)33-18-16-28-12-8-10-14-30(28)24-33/h8-19,24-25H,4-7,20-23,26H2,1-3H3,(H,43,47)
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n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384350
PNG
(CHEMBL2031019)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2NCCc2c1
Show InChI InChI=1S/C38H43ClN6O5S/c1-4-6-19-43(20-7-5-2)38(48)35-34(39)25(3)45(41-35)33-15-12-28(23-31(33)37(47)44-21-17-26-10-8-9-11-29(26)24-44)36(46)42-51(49,50)30-13-14-32-27(22-30)16-18-40-32/h8-15,22-23,40H,4-7,16-21,24H2,1-3H3,(H,42,46)
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n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122322
PNG
(CHEMBL3622147)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H27N9O/c1-5-30-16(21(32)31(13-6-7-13)14-8-9-14)10-15-18-17(23-11-28(18)3)19(25-20(15)30)26-22-24-12(2)29(4)27-22/h10-11,13-14H,5-9H2,1-4H3,(H,25,26,27)
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n/an/a 33n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
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