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Compile Data Set for Download or QSAR

Found 265 hits with Last Name = 'perdih' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Pancreatic alpha-amylase


(Homo sapiens (Human))
BDBM50120854
PNG
(CHEMBL3618493)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CO[C@@H](Oc3c(O)cc(cc3O)C3=C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[C@@H]4O[C@H](COC(=O)\C=C\c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(=O)c4c(O)cc(O)cc4C3)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |r,c:19|
Show InChI InChI=1S/C54H66O32/c1-16-33(63)39(69)44(74)51(78-16)81-30-15-77-50(43(73)37(30)67)84-47-26(60)10-19(11-27(47)61)22-9-20-8-21(56)12-25(59)32(20)38(68)46(22)83-53-48(41(71)34(64)17(2)79-53)86-54-49(85-52-45(75)40(70)35(65)28(13-55)80-52)42(72)36(66)29(82-54)14-76-31(62)6-4-18-3-5-23(57)24(58)7-18/h3-8,10-12,16-17,28-30,33-37,39-45,48-61,63-67,69-75H,9,13-15H2,1-2H3/b6-4+/t16-,17-,28+,29+,30+,33-,34-,35+,36+,37-,39+,40-,41+,42-,43+,44+,45+,48+,49+,50-,51-,52-,53-,54-/m0/s1
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8n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Competitive inhibition of human pancreatic alpha-amylase by double reciprocal plot analysis


Bioorg Med Chem 23: 6725-32 (2015)


Article DOI: 10.1016/j.bmc.2015.09.007
BindingDB Entry DOI: 10.7270/Q21G0P2X
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Homo sapiens (Human))
BDBM50120851
PNG
(CHEMBL1233515)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:37|
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(29)16(33)13(8)30)15(32)20(37)25(41-6)44-22-9(4-28)43-24(21(38)18(22)35)40-5-10-14(31)17(34)19(36)23(39)42-10/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14-,15+,16+,17+,18-,19-,20-,21-,22-,23-,24+,25-/m1/s1
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12n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic alpha-amylase


Bioorg Med Chem 23: 6725-32 (2015)


Article DOI: 10.1016/j.bmc.2015.09.007
BindingDB Entry DOI: 10.7270/Q21G0P2X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pancreatic alpha-amylase


(Homo sapiens (Human))
BDBM50120850
PNG
(CHEMBL3618491)
Show SMILES CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O |t:37|
Show InChI InChI=1S/C37H63NO28/c1-8-15(19(46)26(53)35(59-8)65-31-12(5-41)62-34(28(55)23(31)50)58-7-14-18(45)20(47)25(52)33(57)60-14)38-10-2-9(3-39)30(22(49)16(10)43)64-37-29(56)24(51)32(13(6-42)63-37)66-36-27(54)21(48)17(44)11(4-40)61-36/h2,8,10-57H,3-7H2,1H3
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12n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic alpha-amylase


Bioorg Med Chem 23: 6725-32 (2015)


Article DOI: 10.1016/j.bmc.2015.09.007
BindingDB Entry DOI: 10.7270/Q21G0P2X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pancreatic alpha-amylase


(Homo sapiens (Human))
BDBM50120843
PNG
(CHEMBL3616594)
Show SMILES [H][C@]1(O[C@@H]2[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](N[C@@H]4[C@@H](C)O[C@]([H])(O[C@@H]5[C@@H](CO)O[C@H](O[C@]6([H])[C@@H](CO)O[C@H](O[C@]7([H])[C@@H](CO)O[C@H](O[C@]8([H])[C@@H](CO)O[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)C=C3CO)[C@H](O)[C@H]2O)O[C@H](C)[C@@H](N[C@H]2C=C(CO)[C@@]([H])(O[C@H]3O[C@H](CO)[C@@H](O[C@@]4([H])O[C@H](C)[C@@H](N[C@H]5C=C(CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r,c:80,t:96,118|
Show InChI InChI=1S/C75H125N3O52/c1-16-31(76-22-4-19(7-79)34(88)41(95)35(22)89)38(92)51(105)68(114-16)125-62-26(11-83)118-71(54(108)45(62)99)123-59-20(8-80)5-23(36(90)42(59)96)77-32-17(2)115-69(52(106)39(32)93)126-63-27(12-84)119-72(55(109)46(63)100)124-60-21(9-81)6-24(37(91)43(60)97)78-33-18(3)116-70(53(107)40(33)94)127-64-28(13-85)120-74(56(110)47(64)101)129-66-30(15-87)122-75(58(112)49(66)103)130-65-29(14-86)121-73(57(111)48(65)102)128-61-25(10-82)117-67(113)50(104)44(61)98/h4-6,16-18,22-113H,7-15H2,1-3H3/t16-,17-,18-,22+,23+,24+,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,72-,73-,74-,75-/m1/s1
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14n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic alpha-amylase expressed in Pichia pastoris using amylase as substrate preincubated with substrate for 10 mins followed...


Bioorg Med Chem 23: 6725-32 (2015)


Article DOI: 10.1016/j.bmc.2015.09.007
BindingDB Entry DOI: 10.7270/Q21G0P2X
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Homo sapiens (Human))
BDBM50120842
PNG
(CHEMBL3618489)
Show SMILES [H][C@]1(O[C@@H]2[C@@H](CO)O[C@H](O[C@]3([H])[C@@H](CO)O[C@H](O[C@]4([H])[C@@H](CO)O[C@H](O[C@]5([H])[C@@H](CO)O[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@H](C)[C@@H](N[C@H]2C=C(CO)[C@@H](O[C@@]3([H])O[C@H](CO)[C@@H](O[C@@]4([H])O[C@H](C)[C@@H](N[C@H]5C=C(CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r,t:60,82|
Show InChI InChI=1S/C56H94N2O40/c1-12-23(57-16-3-14(5-59)25(66)30(71)26(16)67)28(69)38(79)51(86-12)94-46-19(8-62)89-53(40(81)33(46)74)93-44-15(6-60)4-17(27(68)31(44)72)58-24-13(2)87-52(39(80)29(24)70)95-47-20(9-63)90-55(41(82)34(47)75)97-49-22(11-65)92-56(43(84)36(49)77)98-48-21(10-64)91-54(42(83)35(48)76)96-45-18(7-61)88-50(85)37(78)32(45)73/h3-4,12-13,16-85H,5-11H2,1-2H3/t12-,13-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50+,51-,52-,53-,54-,55-,56-/m1/s1
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15n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic alpha-amylase expressed in Pichia pastoris using amylase as substrate preincubated with substrate for 10 mins followed...


Bioorg Med Chem 23: 6725-32 (2015)


Article DOI: 10.1016/j.bmc.2015.09.007
BindingDB Entry DOI: 10.7270/Q21G0P2X
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Homo sapiens (Human))
BDBM50120844
PNG
(CHEMBL3616595)
Show SMILES [H][C@]1(O[C@@H]2[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](N[C@@H]4[C@@H](C)O[C@]([H])(O[C@@H]5[C@@H](CO)O[C@H](O[C@@]6([H])[C@H](O)[C@@H](O)[C@@H](N[C@@H]7[C@@H](C)O[C@]([H])(O[C@@H]8[C@@H](CO)O[C@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](N[C@@H]%10[C@@H](C)O[C@]([H])(O[C@@H]%11[C@@H](CO)O[C@H](O[C@]%12([H])[C@@H](CO)O[C@H](O[C@]%13([H])[C@@H](CO)O[C@H](O[C@]%14([H])[C@@H](CO)O[C@H](O)[C@H](O)[C@H]%14O)[C@H](O)[C@H]%13O)[C@H](O)[C@H]%12O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)C=C9CO)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)C=C6CO)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)C=C3CO)[C@H](O)[C@H]2O)O[C@H](C)[C@@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r,c:123,138,153,t:169|
Show InChI InChI=1S/C94H156N4O64/c1-20-39(95-28-5-24(9-99)43(110)52(119)44(28)111)48(115)64(131)85(142-20)156-78-33(14-104)147-89(68(135)57(78)124)153-74-25(10-100)6-29(45(112)53(74)120)96-40-21(2)143-86(65(132)49(40)116)157-79-34(15-105)148-90(69(136)58(79)125)154-75-26(11-101)7-30(46(113)54(75)121)97-41-22(3)144-87(66(133)50(41)117)158-80-35(16-106)149-91(70(137)59(80)126)155-76-27(12-102)8-31(47(114)55(76)122)98-42-23(4)145-88(67(134)51(42)118)159-81-36(17-107)150-93(71(138)60(81)127)161-83-38(19-109)152-94(73(140)62(83)129)162-82-37(18-108)151-92(72(139)61(82)128)160-77-32(13-103)146-84(141)63(130)56(77)123/h5-8,20-23,28-141H,9-19H2,1-4H3/t20-,21-,22-,23-,28+,29+,30+,31+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-/m1/s1
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42n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic alpha-amylase expressed in Pichia pastoris using amylase as substrate preincubated with substrate for 10 mins followed...


Bioorg Med Chem 23: 6725-32 (2015)


Article DOI: 10.1016/j.bmc.2015.09.007
BindingDB Entry DOI: 10.7270/Q21G0P2X
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50511123
PNG
(CHEMBL4522193)
Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCc2ccccc2)cc1C(O)=O
Show InChI InChI=1S/C29H35N3O4S2/c1-29(2,3)23-9-11-24(12-10-23)31-16-18-32(19-17-31)38(35,36)30-27-14-13-25(21-26(27)28(33)34)37-20-15-22-7-5-4-6-8-22/h4-14,21,30H,15-20H2,1-3H3,(H,33,34)
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73n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50511124
PNG
(CHEMBL4533559)
Show SMILES COc1cccc(CCSc2ccc(NS(=O)(=O)N3CCN(CC3)c3ccc(cc3)C(C)(C)C)c(c2)C(O)=O)c1
Show InChI InChI=1S/C30H37N3O5S2/c1-30(2,3)23-8-10-24(11-9-23)32-15-17-33(18-16-32)40(36,37)31-28-13-12-26(21-27(28)29(34)35)39-19-14-22-6-5-7-25(20-22)38-4/h5-13,20-21,31H,14-19H2,1-4H3,(H,34,35)
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74n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Homo sapiens (Human))
BDBM50120852
PNG
(CHEMBL1230193)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:25|
Show InChI InChI=1S/C19H33NO13/c1-5-9(20-7-2-6(3-21)10(23)13(26)11(7)24)12(25)16(29)19(31-5)33-17-8(4-22)32-18(30)15(28)14(17)27/h2,5,7-30H,3-4H2,1H3/t5-,7+,8-,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19-/m1/s1
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75n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic alpha-amylase


Bioorg Med Chem 23: 6725-32 (2015)


Article DOI: 10.1016/j.bmc.2015.09.007
BindingDB Entry DOI: 10.7270/Q21G0P2X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50511123
PNG
(CHEMBL4522193)
Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCc2ccccc2)cc1C(O)=O
Show InChI InChI=1S/C29H35N3O4S2/c1-29(2,3)23-9-11-24(12-10-23)31-16-18-32(19-17-31)38(35,36)30-27-14-13-25(21-26(27)28(33)34)37-20-15-22-7-5-4-6-8-22/h4-14,21,30H,15-20H2,1-3H3,(H,33,34)
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84n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50511125
PNG
(CHEMBL4462138)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C27H29NO4S2/c29-27(30)25-19-23(33-18-17-20-7-3-1-4-8-20)13-16-26(25)28-34(31,32)24-14-11-22(12-15-24)21-9-5-2-6-10-21/h1,3-4,7-8,11-16,19,21,28H,2,5-6,9-10,17-18H2,(H,29,30)
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87n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50511136
PNG
(CHEMBL4558313)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H23NO4S2/c29-27(30)25-19-23(33-18-17-20-7-3-1-4-8-20)13-16-26(25)28-34(31,32)24-14-11-22(12-15-24)21-9-5-2-6-10-21/h1-16,19,28H,17-18H2,(H,29,30)
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90n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50511138
PNG
(CHEMBL4576854)
Show SMILES CC(C)(C)c1ccc(CN2CCN(CC2)S(=O)(=O)Nc2ccc(SCCc3ccccc3)cc2C(O)=O)cc1
Show InChI InChI=1S/C30H37N3O4S2/c1-30(2,3)25-11-9-24(10-12-25)22-32-16-18-33(19-17-32)39(36,37)31-28-14-13-26(21-27(28)29(34)35)38-20-15-23-7-5-4-6-8-23/h4-14,21,31H,15-20,22H2,1-3H3,(H,34,35)
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94n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50511124
PNG
(CHEMBL4533559)
Show SMILES COc1cccc(CCSc2ccc(NS(=O)(=O)N3CCN(CC3)c3ccc(cc3)C(C)(C)C)c(c2)C(O)=O)c1
Show InChI InChI=1S/C30H37N3O5S2/c1-30(2,3)23-8-10-24(11-9-23)32-15-17-33(18-16-32)40(36,37)31-28-13-12-26(21-27(28)29(34)35)39-19-14-22-6-5-7-25(20-22)38-4/h5-13,20-21,31H,14-19H2,1-4H3,(H,34,35)
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100n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50511138
PNG
(CHEMBL4576854)
Show SMILES CC(C)(C)c1ccc(CN2CCN(CC2)S(=O)(=O)Nc2ccc(SCCc3ccccc3)cc2C(O)=O)cc1
Show InChI InChI=1S/C30H37N3O4S2/c1-30(2,3)25-11-9-24(10-12-25)22-32-16-18-33(19-17-32)39(36,37)31-28-14-13-26(21-27(28)29(34)35)38-20-15-23-7-5-4-6-8-23/h4-14,21,31H,15-20,22H2,1-3H3,(H,34,35)
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100n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50511136
PNG
(CHEMBL4558313)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H23NO4S2/c29-27(30)25-19-23(33-18-17-20-7-3-1-4-8-20)13-16-26(25)28-34(31,32)24-14-11-22(12-15-24)21-9-5-2-6-10-21/h1-16,19,28H,17-18H2,(H,29,30)
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150n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50511125
PNG
(CHEMBL4462138)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C27H29NO4S2/c29-27(30)25-19-23(33-18-17-20-7-3-1-4-8-20)13-16-26(25)28-34(31,32)24-14-11-22(12-15-24)21-9-5-2-6-10-21/h1,3-4,7-8,11-16,19,21,28H,2,5-6,9-10,17-18H2,(H,29,30)
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170n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Alpha-amylase 1A


(Homo sapiens (Human))
BDBM50120853
PNG
(CHEMBL3618492)
Show SMILES [H][C@]1(O[C@H]2[C@H](O)[C@@H](O)[C@@H](OC[C@H]3OC4(NC(=S)NC4=O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)O[C@H](C)[C@@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r,t:39|
Show InChI InChI=1S/C27H43N3O18S/c1-6-11(28-8-2-7(3-31)12(33)16(37)13(8)34)15(36)19(40)24(45-6)47-21-9(4-32)46-23(20(41)17(21)38)44-5-10-14(35)18(39)22(42)27(48-10)25(43)29-26(49)30-27/h2,6,8-24,28,31-42H,3-5H2,1H3,(H2,29,30,43,49)/t6-,8+,9-,10-,11-,12-,13+,14-,15+,16+,17-,18+,19-,20-,21-,22-,23+,24-,27?/m1/s1
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190n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human salivary alpha-amylase using GalG2CNP as substrate assessed as CNP liberation by Lineweaver-Burk plot analysis


Bioorg Med Chem 23: 6725-32 (2015)


Article DOI: 10.1016/j.bmc.2015.09.007
BindingDB Entry DOI: 10.7270/Q21G0P2X
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50511143
PNG
(CHEMBL4463305)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C26H22N2O4S2/c29-26(30)23-17-21(33-16-15-19-7-3-1-4-8-19)11-13-25(23)28-34(31,32)22-12-14-24(27-18-22)20-9-5-2-6-10-20/h1-14,17-18,28H,15-16H2,(H,29,30)
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200n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50511135
PNG
(CHEMBL4457901)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H21NO4S2/c27-25(28)23-17-21(31-15-14-18-6-2-1-3-7-18)11-13-24(23)26-32(29,30)22-12-10-19-8-4-5-9-20(19)16-22/h1-13,16-17,26H,14-15H2,(H,27,28)
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220n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50511139
PNG
(CHEMBL4454113)
Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCc2cccc(O)c2)cc1C(O)=O
Show InChI InChI=1S/C29H35N3O5S2/c1-29(2,3)22-7-9-23(10-8-22)31-14-16-32(17-15-31)39(36,37)30-27-12-11-25(20-26(27)28(34)35)38-18-13-21-5-4-6-24(33)19-21/h4-12,19-20,30,33H,13-18H2,1-3H3,(H,34,35)
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250n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50511143
PNG
(CHEMBL4463305)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C26H22N2O4S2/c29-26(30)23-17-21(33-16-15-19-7-3-1-4-8-19)11-13-25(23)28-34(31,32)22-12-14-24(27-18-22)20-9-5-2-6-10-20/h1-14,17-18,28H,15-16H2,(H,29,30)
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280n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50511139
PNG
(CHEMBL4454113)
Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCc2cccc(O)c2)cc1C(O)=O
Show InChI InChI=1S/C29H35N3O5S2/c1-29(2,3)22-7-9-23(10-8-22)31-14-16-32(17-15-31)39(36,37)30-27-12-11-25(20-26(27)28(34)35)38-18-13-21-5-4-6-24(33)19-21/h4-12,19-20,30,33H,13-18H2,1-3H3,(H,34,35)
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290n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50511122
PNG
(CHEMBL4452560)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C26H28N2O4S2/c29-26(30)24-19-23(33-18-15-20-7-3-1-4-8-20)11-12-25(24)27-34(31,32)28-16-13-22(14-17-28)21-9-5-2-6-10-21/h1-12,19,22,27H,13-18H2,(H,29,30)
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330n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50511122
PNG
(CHEMBL4452560)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C26H28N2O4S2/c29-26(30)24-19-23(33-18-15-20-7-3-1-4-8-20)11-12-25(24)27-34(31,32)28-16-13-22(14-17-28)21-9-5-2-6-10-21/h1-12,19,22,27H,13-18H2,(H,29,30)
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390n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50511137
PNG
(CHEMBL4475729)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C25H27N3O4S2/c29-25(30)23-19-22(33-18-13-20-7-3-1-4-8-20)11-12-24(23)26-34(31,32)28-16-14-27(15-17-28)21-9-5-2-6-10-21/h1-12,19,26H,13-18H2,(H,29,30)
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570n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50511135
PNG
(CHEMBL4457901)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H21NO4S2/c27-25(28)23-17-21(31-15-14-18-6-2-1-3-7-18)11-13-24(23)26-32(29,30)22-12-10-19-8-4-5-9-20(19)16-22/h1-13,16-17,26H,14-15H2,(H,27,28)
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570n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Alpha-amylase 1A


(Homo sapiens (Human))
BDBM50120849
PNG
(CHEMBL3618490)
Show SMILES CC1OC(OC2C(CO)OC(OC3C(O)C(O)C(NC4C(C)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C=C3CO)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(O)C(O)C1O |c:42,t:60|
Show InChI InChI=1S/C38H64N2O25/c1-9-17(39-13-3-11(5-41)19(45)24(50)20(13)46)22(48)30(56)37(60-9)65-34-16(8-44)62-38(31(57)27(34)53)63-32-12(6-42)4-14(21(47)25(32)51)40-18-10(2)59-36(29(55)23(18)49)64-33-15(7-43)61-35(58)28(54)26(33)52/h3-4,9-10,13-58H,5-8H2,1-2H3
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700n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate


Bioorg Med Chem 23: 6725-32 (2015)


Article DOI: 10.1016/j.bmc.2015.09.007
BindingDB Entry DOI: 10.7270/Q21G0P2X
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50511137
PNG
(CHEMBL4475729)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C25H27N3O4S2/c29-25(30)23-19-22(33-18-13-20-7-3-1-4-8-20)11-12-24(23)26-34(31,32)28-16-14-27(15-17-28)21-9-5-2-6-10-21/h1-12,19,26H,13-18H2,(H,29,30)
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760n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50511144
PNG
(CHEMBL4440719)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C26H28FN3O4S2/c27-22-8-6-21(7-9-22)19-29-13-15-30(16-14-29)36(33,34)28-25-11-10-23(18-24(25)26(31)32)35-17-12-20-4-2-1-3-5-20/h1-11,18,28H,12-17,19H2,(H,31,32)
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770n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50511134
PNG
(CHEMBL4435041)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H18BrNO4S2/c22-16-6-9-18(10-7-16)29(26,27)23-20-11-8-17(14-19(20)21(24)25)28-13-12-15-4-2-1-3-5-15/h1-11,14,23H,12-13H2,(H,24,25)
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810n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50511134
PNG
(CHEMBL4435041)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H18BrNO4S2/c22-16-6-9-18(10-7-16)29(26,27)23-20-11-8-17(14-19(20)21(24)25)28-13-12-15-4-2-1-3-5-15/h1-11,14,23H,12-13H2,(H,24,25)
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810n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50511146
PNG
(CHEMBL4473975)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H29N3O4S2/c30-26(31)24-19-23(34-18-13-21-7-3-1-4-8-21)11-12-25(24)27-35(32,33)29-16-14-28(15-17-29)20-22-9-5-2-6-10-22/h1-12,19,27H,13-18,20H2,(H,30,31)
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840n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50511144
PNG
(CHEMBL4440719)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C26H28FN3O4S2/c27-22-8-6-21(7-9-22)19-29-13-15-30(16-14-29)36(33,34)28-25-11-10-23(18-24(25)26(31)32)35-17-12-20-4-2-1-3-5-20/h1-11,18,28H,12-17,19H2,(H,31,32)
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900n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50511126
PNG
(CHEMBL4525910)
Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCC(=O)Nc2ccccc2)cc1C(O)=O
Show InChI InChI=1S/C30H36N4O5S2/c1-30(2,3)22-9-11-24(12-10-22)33-16-18-34(19-17-33)41(38,39)32-27-14-13-25(21-26(27)29(36)37)40-20-15-28(35)31-23-7-5-4-6-8-23/h4-14,21,32H,15-20H2,1-3H3,(H,31,35)(H,36,37)
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950n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50511146
PNG
(CHEMBL4473975)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H29N3O4S2/c30-26(31)24-19-23(34-18-13-21-7-3-1-4-8-21)11-12-25(24)27-35(32,33)29-16-14-28(15-17-29)20-22-9-5-2-6-10-22/h1-12,19,27H,13-18,20H2,(H,30,31)
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1.00E+3n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50511126
PNG
(CHEMBL4525910)
Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCC(=O)Nc2ccccc2)cc1C(O)=O
Show InChI InChI=1S/C30H36N4O5S2/c1-30(2,3)22-9-11-24(12-10-22)33-16-18-34(19-17-33)41(38,39)32-27-14-13-25(21-26(27)29(36)37)40-20-15-28(35)31-23-7-5-4-6-8-23/h4-14,21,32H,15-20H2,1-3H3,(H,31,35)(H,36,37)
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1.10E+3n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50511124
PNG
(CHEMBL4533559)
Show SMILES COc1cccc(CCSc2ccc(NS(=O)(=O)N3CCN(CC3)c3ccc(cc3)C(C)(C)C)c(c2)C(O)=O)c1
Show InChI InChI=1S/C30H37N3O5S2/c1-30(2,3)23-8-10-24(11-9-23)32-15-17-33(18-16-32)40(36,37)31-28-13-12-26(21-27(28)29(34)35)39-19-14-22-6-5-7-25(20-22)38-4/h5-13,20-21,31H,14-19H2,1-4H3,(H,34,35)
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1.20E+3n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Bcl-2 isoform 2 (1 to 34 residues and 92 to 202 residues with Bcl-xL sequence (35 to 50 residues) expresse...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50511123
PNG
(CHEMBL4522193)
Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCc2ccccc2)cc1C(O)=O
Show InChI InChI=1S/C29H35N3O4S2/c1-29(2,3)23-9-11-24(12-10-23)31-16-18-32(19-17-31)38(35,36)30-27-14-13-25(21-26(27)28(33)34)37-20-15-22-7-5-4-6-8-22/h4-14,21,30H,15-20H2,1-3H3,(H,33,34)
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1.20E+3n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Bcl-2 isoform 2 (1 to 34 residues and 92 to 202 residues with Bcl-xL sequence (35 to 50 residues) expresse...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Homo sapiens (Human))
BDBM50120848
PNG
(CHEMBL3618488)
Show SMILES CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O |t:37|
Show InChI InChI=1S/C37H63NO28/c1-8-15(18(46)25(53)34(58-8)64-31-13(6-42)62-37(28(56)23(31)51)65-30-12(5-41)59-33(57)24(52)21(30)49)38-10-2-9(3-39)29(20(48)16(10)44)63-36-27(55)22(50)32(14(7-43)61-36)66-35-26(54)19(47)17(45)11(4-40)60-35/h2,8,10-57H,3-7H2,1H3
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1.25E+3n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic alpha-amylase expressed in Pichia pastoris using amylase as substrate preincubated with substrate for 10 mins followed...


Bioorg Med Chem 23: 6725-32 (2015)


Article DOI: 10.1016/j.bmc.2015.09.007
BindingDB Entry DOI: 10.7270/Q21G0P2X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50511128
PNG
(CHEMBL4448621)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H19NO4S2/c23-21(24)19-15-17(27-14-13-16-7-3-1-4-8-16)11-12-20(19)22-28(25,26)18-9-5-2-6-10-18/h1-12,15,22H,13-14H2,(H,23,24)
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1.50E+3n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50511128
PNG
(CHEMBL4448621)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H19NO4S2/c23-21(24)19-15-17(27-14-13-16-7-3-1-4-8-16)11-12-20(19)22-28(25,26)18-9-5-2-6-10-18/h1-12,15,22H,13-14H2,(H,23,24)
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1.60E+3n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50511145
PNG
(CHEMBL4577267)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)CCc1ccccc1
Show InChI InChI=1S/C23H23NO4S2/c25-23(26)21-17-20(29-15-13-18-7-3-1-4-8-18)11-12-22(21)24-30(27,28)16-14-19-9-5-2-6-10-19/h1-12,17,24H,13-16H2,(H,25,26)
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1.70E+3n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50511145
PNG
(CHEMBL4577267)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)CCc1ccccc1
Show InChI InChI=1S/C23H23NO4S2/c25-23(26)21-17-20(29-15-13-18-7-3-1-4-8-18)11-12-22(21)24-30(27,28)16-14-19-9-5-2-6-10-19/h1-12,17,24H,13-16H2,(H,25,26)
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1.70E+3n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50511142
PNG
(CHEMBL4463594)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C19H17NO4S3/c21-19(22)16-13-15(25-12-10-14-5-2-1-3-6-14)8-9-17(16)20-27(23,24)18-7-4-11-26-18/h1-9,11,13,20H,10,12H2,(H,21,22)
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2.00E+3n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Alpha-amylase 1A


(Homo sapiens (Human))
BDBM50241052
PNG
(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human salivary alpha-amylase using GalG2CNP as substrate assessed as CNP liberation by Lineweaver-Burk plot analysis


Bioorg Med Chem 23: 6725-32 (2015)


Article DOI: 10.1016/j.bmc.2015.09.007
BindingDB Entry DOI: 10.7270/Q21G0P2X
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50511129
PNG
(CHEMBL4461974)
Show SMILES OC(=O)c1cc(SCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H17NO4S2/c22-20(23)18-13-16(26-14-15-7-3-1-4-8-15)11-12-19(18)21-27(24,25)17-9-5-2-6-10-17/h1-13,21H,14H2,(H,22,23)
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2.60E+3n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50511133
PNG
(CHEMBL4435893)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C22H19NO3S/c24-21(17-9-5-2-6-10-17)23-20-12-11-18(15-19(20)22(25)26)27-14-13-16-7-3-1-4-8-16/h1-12,15H,13-14H2,(H,23,24)(H,25,26)
PDB
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KEGG

UniProtKB/SwissProt

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2.70E+3n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50511129
PNG
(CHEMBL4461974)
Show SMILES OC(=O)c1cc(SCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H17NO4S2/c22-20(23)18-13-16(26-14-15-7-3-1-4-8-15)11-12-19(18)21-27(24,25)17-9-5-2-6-10-17/h1-13,21H,14H2,(H,22,23)
PDB
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3.00E+3n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50511142
PNG
(CHEMBL4463594)
Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C19H17NO4S3/c21-19(22)16-13-15(25-12-10-14-5-2-1-3-6-14)8-9-17(16)20-27(23,24)18-7-4-11-26-18/h1-9,11,13,20H,10,12H2,(H,21,22)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...


J Med Chem 63: 2489-2510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2
More data for this
Ligand-Target Pair
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