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Compile Data Set for Download or QSAR

Found 2001 hits Enz. Inhib. hit(s) with Target = 'Mcl-1'   
Target
(Institution)
LigandTarget
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336590
PNG
(3-(4-aminophenylthio)-8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES Nc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C21H11N3OS/c22-10-16-19-14-8-9-17(26-12-6-4-11(23)5-7-12)13-2-1-3-15(18(13)14)20(19)24-21(16)25/h1-9H,23H2
PDB
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n/an/a 5n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl-1 after 30 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50393840
PNG
(CHEMBL2159742)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C124H184N34O35/c1-12-62(6)98(117(188)138-60-93(163)142-89(58-97(170)171)114(185)147-81(42-46-95(166)167)106(177)151-86(53-68-24-16-15-17-25-68)113(184)153-88(57-92(127)162)110(181)139-65(9)102(173)149-85(55-70-34-38-73(160)39-35-70)112(183)152-84(109(180)141-67(11)121(192)193)54-69-32-36-72(159)37-33-69)155-107(178)78(30-22-50-136-124(132)133)144-103(174)77(29-21-49-135-123(130)131)145-111(182)83(52-61(4)5)150-105(176)80(41-45-94(164)165)146-104(175)79(40-44-91(126)161)143-101(172)66(10)140-118(189)99(63(7)13-2)157-115(186)87(56-71-59-137-76-28-19-18-26-74(71)76)154-119(190)100(64(8)14-3)156-108(179)82(43-47-96(168)169)148-116(187)90-31-23-51-158(90)120(191)75(125)27-20-48-134-122(128)129/h15-19,24-26,28,32-39,59,61-67,75,77-90,98-100,137,159-160H,12-14,20-23,27,29-31,40-58,60,125H2,1-11H3,(H2,126,161)(H2,127,162)(H,138,188)(H,139,181)(H,140,189)(H,141,180)(H,142,163)(H,143,172)(H,144,174)(H,145,182)(H,146,175)(H,147,185)(H,148,187)(H,149,173)(H,150,176)(H,151,177)(H,152,183)(H,153,184)(H,154,190)(H,155,178)(H,156,179)(H,157,186)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,192,193)(H4,128,129,134)(H4,130,131,135)(H4,132,133,136)/t62-,63-,64-,65-,66-,67-,75-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,98-,99-,100-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His8-tagged Mcl1 expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BID binding aft...


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50424209
PNG
(CHEMBL2312470)
Show SMILES Nc1ccc(Sc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C29H23N3OS/c30-19-11-13-20(14-12-19)34-24-16-15-22-25-21(24)9-4-10-23(25)27-26(22)28(29(33)32-27)31-17-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-16H,5,8,17,30H2,(H,31,32,33)
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n/an/a 10n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50424212
PNG
(CHEMBL2312483)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1NCCCc1ccccc1)c34)N1CCSCC1
Show InChI InChI=1S/C27H25N3OS/c31-27-26(28-13-5-8-18-6-2-1-3-7-18)24-20-11-12-22(30-14-16-32-17-15-30)19-9-4-10-21(23(19)20)25(24)29-27/h1-4,6-7,9-12H,5,8,13-17H2,(H,28,29,31)
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n/an/a 15n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50449350
PNG
(CHEMBL3126311)
Show SMILES Cc1ccc(-c2ccc(C(O)=O)c(NS(=O)(=O)c3ccc(OCCn4cccn4)cc3)c2)c2ccccc12
Show InChI InChI=1S/C29H25N3O5S/c1-20-7-13-25(26-6-3-2-5-24(20)26)21-8-14-27(29(33)34)28(19-21)31-38(35,36)23-11-9-22(10-12-23)37-18-17-32-16-4-15-30-32/h2-16,19,31H,17-18H2,1H3,(H,33,34)
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n/an/a 30n/an/an/an/an/an/a



Research& Development, AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCL-1 (174 to 236) expressed in Escherichia coli BL21(DE3) using 6FAM-GELEVEFATQLRRFGDKLN as substrate after 15 mins ...


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50424210
PNG
(CHEMBL2312469)
Show SMILES CCCCCCNc1c2c3ccc(Sc4ccc(N)cc4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C26H25N3OS/c1-2-3-4-5-15-28-25-23-19-13-14-21(31-17-11-9-16(27)10-12-17)18-7-6-8-20(22(18)19)24(23)29-26(25)30/h6-14H,2-5,15,27H2,1H3,(H,28,29,30)
PDB
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n/an/a 30n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336576
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2
PDB
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n/an/a 35n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl-1 after 30 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50424220
PNG
(CHEMBL2312477)
Show SMILES CCCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C23H25N3OS/c1-2-3-4-10-24-22-20-16-8-9-18(26-11-13-28-14-12-26)15-6-5-7-17(19(15)16)21(20)25-23(22)27/h5-9H,2-4,10-14H2,1H3,(H,24,25,27)
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n/an/a 37n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50424213
PNG
(CHEMBL2312482)
Show SMILES CCCCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C24H27N3OS/c1-2-3-4-5-11-25-23-21-17-9-10-19(27-12-14-29-15-13-27)16-7-6-8-18(20(16)17)22(21)26-24(23)28/h6-10H,2-5,11-15H2,1H3,(H,25,26,28)
PDB
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n/an/a 37n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50393839
PNG
(CHEMBL2159744)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C116H190N36O35S/c1-57(2)48-75(144-94(167)65(119)33-40-87(158)159)104(177)140-73(37-42-89(162)163)103(176)151-91(60(7)8)111(184)141-72(36-41-88(160)161)102(175)150-82(56-188)110(183)133-61(9)93(166)152-92(62(10)153)112(185)142-71(35-39-84(121)155)101(174)146-76(49-58(3)4)105(178)137-67(30-21-45-129-114(123)124)96(169)135-69(32-23-47-131-116(127)128)99(172)147-78(51-63-24-13-11-14-25-63)95(168)132-55-86(157)134-81(54-90(164)165)109(182)136-66(28-17-19-43-117)98(171)145-77(50-59(5)6)106(179)149-80(53-85(122)156)108(181)148-79(52-64-26-15-12-16-27-64)107(180)138-68(31-22-46-130-115(125)126)97(170)139-70(34-38-83(120)154)100(173)143-74(113(186)187)29-18-20-44-118/h11-16,24-27,57-62,65-82,91-92,153,188H,17-23,28-56,117-119H2,1-10H3,(H2,120,154)(H2,121,155)(H2,122,156)(H,132,168)(H,133,183)(H,134,157)(H,135,169)(H,136,182)(H,137,178)(H,138,180)(H,139,170)(H,140,177)(H,141,184)(H,142,185)(H,143,173)(H,144,167)(H,145,171)(H,146,174)(H,147,172)(H,148,181)(H,149,179)(H,150,175)(H,151,176)(H,152,166)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,186,187)(H4,123,124,129)(H4,125,126,130)(H4,127,128,131)/t61-,62+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,91-,92-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His8-tagged Mcl1 expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BID binding aft...


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50424203
PNG
(CHEMBL2312476)
Show SMILES CC(C)c1ccc(Oc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C32H28N2O2/c1-20(2)22-13-15-23(16-14-22)36-27-18-17-25-28-24(27)11-6-12-26(28)30-29(25)31(32(35)34-30)33-19-7-10-21-8-4-3-5-9-21/h3-6,8-9,11-18,20H,7,10,19H2,1-2H3,(H,33,34,35)
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n/an/a 39n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50208819
PNG
(2-{2,3,4-trihydroxy-5-[methyl-(3-phenylpropyl)sulf...)
Show SMILES CN(CCCc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(cc3C2)S(=O)(=O)NCCc2ccccc2)c(O)c(O)c1O
Show InChI InChI=1S/C34H37N3O8S2/c1-36(19-8-13-24-9-4-2-5-10-24)47(44,45)30-22-29(31(38)33(40)32(30)39)34(41)37-20-17-26-14-15-28(21-27(26)23-37)46(42,43)35-18-16-25-11-6-3-7-12-25/h2-7,9-12,14-15,21-22,35,38-40H,8,13,16-20,23H2,1H3
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n/an/a 39n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of biotinylated Bim BH3 peptide from recombinant His-tagged Mcl1 by ELISA assay


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50424206
PNG
(CHEMBL2312473)
Show SMILES OOc1ccc(Sc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C29H22N2O3S/c32-29-28(30-17-5-8-18-6-2-1-3-7-18)26-22-15-16-24(35-20-13-11-19(34-33)12-14-20)21-9-4-10-23(25(21)22)27(26)31-29/h1-4,6-7,9-16,33H,5,8,17H2,(H,30,31,32)
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n/an/a 42n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336576
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2
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n/an/a 46n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of biotin-Bim peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50424211
PNG
(CHEMBL2312484)
Show SMILES CCCCNc1c2c3ccc(Sc4ccc(N)cc4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C24H21N3OS/c1-2-3-13-26-23-21-17-11-12-19(29-15-9-7-14(25)8-10-15)16-5-4-6-18(20(16)17)22(21)27-24(23)28/h4-12H,2-3,13,25H2,1H3,(H,26,27,28)
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n/an/a 50n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50196034
PNG
(CHEMBL410802 | QEDIIRNIARHLAQVGDSMDR)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C100H169N35O34S/c1-14-46(8)75(133-90(161)61(36-68(104)139)128-82(153)54(21-18-31-113-99(107)108)124-95(166)76(47(9)15-2)135-96(167)77(48(10)16-3)134-91(162)64(39-73(147)148)130-83(154)56(25-28-70(141)142)122-80(151)52(101)23-26-66(102)137)94(165)118-50(12)79(150)120-53(20-17-30-112-98(105)106)81(152)127-60(35-51-40-111-43-116-51)87(158)126-59(34-44(4)5)86(157)117-49(11)78(149)121-55(24-27-67(103)138)85(156)132-74(45(6)7)93(164)115-41-69(140)119-62(37-71(143)144)88(159)131-65(42-136)92(163)123-57(29-33-170-13)84(155)129-63(38-72(145)146)89(160)125-58(97(168)169)22-19-32-114-100(109)110/h40,43-50,52-65,74-77,136H,14-39,41-42,101H2,1-13H3,(H2,102,137)(H2,103,138)(H2,104,139)(H,111,116)(H,115,164)(H,117,157)(H,118,165)(H,119,140)(H,120,150)(H,121,149)(H,122,151)(H,123,163)(H,124,166)(H,125,160)(H,126,158)(H,127,152)(H,128,153)(H,129,155)(H,130,154)(H,131,159)(H,132,156)(H,133,161)(H,134,162)(H,135,167)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,168,169)(H4,105,106,112)(H4,107,108,113)(H4,109,110,114)/t46-,47-,48-,49-,50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,74-,75-,76-,77-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl1 by FP assay


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50425964
PNG
(CHEMBL2314383)
Show SMILES CC(C)c1ccc(Sc2c[nH]c(=O)c(c2)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C22H22N2O2S/c1-15(2)17-8-10-18(11-9-17)27-19-12-20(22(26)24-14-19)21(25)23-13-16-6-4-3-5-7-16/h3-12,14-15H,13H2,1-2H3,(H,23,25)(H,24,26)
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n/an/a 54n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of biotin-Bim peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50449351
PNG
(CHEMBL3126310)
Show SMILES Cc1ccc(-c2ccc(C(O)=O)c(NS(=O)(=O)c3ccc(OCCCN4CCOCC4)cc3)c2)c2ccccc12
Show InChI InChI=1S/C31H32N2O6S/c1-22-7-13-27(28-6-3-2-5-26(22)28)23-8-14-29(31(34)35)30(21-23)32-40(36,37)25-11-9-24(10-12-25)39-18-4-15-33-16-19-38-20-17-33/h2-3,5-14,21,32H,4,15-20H2,1H3,(H,34,35)
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n/an/a 60n/an/an/an/an/an/a



Research& Development, AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCL-1 (174 to 236) expressed in Escherichia coli BL21(DE3) using 6FAM-GELEVEFATQLRRFGDKLN as substrate after 15 mins ...


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50424204
PNG
(CHEMBL2312475)
Show SMILES CCCCCCNc1c2c3ccc(Oc4ccc(cc4)C(C)C)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C29H30N2O2/c1-4-5-6-7-17-30-28-26-22-15-16-24(33-20-13-11-19(12-14-20)18(2)3)21-9-8-10-23(25(21)22)27(26)31-29(28)32/h8-16,18H,4-7,17H2,1-3H3,(H,30,31,32)
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n/an/a 75n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50424207
PNG
(CHEMBL2312472)
Show SMILES CCCCCCNc1c2c3ccc(Sc4ccc(OC)cc4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C27H26N2O2S/c1-3-4-5-6-16-28-26-24-20-14-15-22(32-18-12-10-17(31-2)11-13-18)19-8-7-9-21(23(19)20)25(24)29-27(26)30/h7-15H,3-6,16H2,1-2H3,(H,28,29,30)
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n/an/a 78n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50424214
PNG
(CHEMBL2312481)
Show SMILES CCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C22H23N3OS/c1-2-3-9-23-21-19-15-7-8-17(25-10-12-27-13-11-25)14-5-4-6-16(18(14)15)20(19)24-22(21)26/h4-8H,2-3,9-13H2,1H3,(H,23,24,26)
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n/an/a 79n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50449352
PNG
(CHEMBL3126309)
Show SMILES CN(C)C(=O)c1ccc(cc1)S(=O)(=O)Nc1cc(ccc1C(O)=O)-c1ccc(C)c2ccccc12
Show InChI InChI=1S/C27H24N2O5S/c1-17-8-14-22(23-7-5-4-6-21(17)23)19-11-15-24(27(31)32)25(16-19)28-35(33,34)20-12-9-18(10-13-20)26(30)29(2)3/h4-16,28H,1-3H3,(H,31,32)
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n/an/a 80n/an/an/an/an/an/a



Research& Development, AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCL-1 (174 to 236) expressed in Escherichia coli BL21(DE3) using 6FAM-GELEVEFATQLRRFGDKLN as substrate after 15 mins ...


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50448451
PNG
(CHEMBL3126120)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1cc(C)c(c(C)c1)-c1cccc2c(CCCOc3cccc4ccccc34)c(nn12)C(O)=O
Show InChI InChI=1S/C48H48N6O8S2/c1-31-27-34(47(55)51-64(60,61)37-22-23-40(43(29-37)54(58)59)49-35(24-25-52(3)4)30-63-36-15-6-5-7-16-36)28-32(2)45(31)42-20-11-19-41-39(46(48(56)57)50-53(41)42)18-12-26-62-44-21-10-14-33-13-8-9-17-38(33)44/h5-11,13-17,19-23,27-29,35,49H,12,18,24-26,30H2,1-4H3,(H,51,55)(H,56,57)/t35-/m1/s1
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n/an/a 88n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of FITC-Bid from GST-tagged human Mcl-1 expressed in Escherichia coli after 2 hrs by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336590
PNG
(3-(4-aminophenylthio)-8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES Nc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C21H11N3OS/c22-10-16-19-14-8-9-17(26-12-6-4-11(23)5-7-12)13-2-1-3-15(18(13)14)20(19)24-21(16)25/h1-9H,23H2
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n/an/a 90n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336576
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2
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n/an/a 95n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50449353
PNG
(CHEMBL3126308)
Show SMILES Cc1ccc(-c2ccc(C(O)=O)c(NS(=O)(=O)c3ccc(cc3)N3CCOCC3)c2)c2ccccc12
Show InChI InChI=1S/C28H26N2O5S/c1-19-6-12-24(25-5-3-2-4-23(19)25)20-7-13-26(28(31)32)27(18-20)29-36(33,34)22-10-8-21(9-11-22)30-14-16-35-17-15-30/h2-13,18,29H,14-17H2,1H3,(H,31,32)
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n/an/a 110n/an/an/an/an/an/a



Research& Development, AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCL-1 (174 to 236) expressed in Escherichia coli BL21(DE3) using 6FAM-GELEVEFATQLRRFGDKLN as substrate after 15 mins ...


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50352198
PNG
(CHEMBL1824832)
Show SMILES CCOc1ccc(Oc2ccc(cc2)S(=O)(=O)NC(=O)c2cccc(c2)-c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C27H21Cl2NO5S/c1-2-34-21-7-9-22(10-8-21)35-23-11-13-24(14-12-23)36(32,33)30-27(31)20-5-3-4-18(16-20)19-6-15-25(28)26(29)17-19/h3-17H,2H2,1H3,(H,30,31)
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n/an/a 140n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of FITC labeled Bak BH3 peptide from Mcl-1 after 2 mins by Fluorescence Polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50424205
PNG
(CHEMBL2312474)
Show SMILES CCCCNc1c2c3ccc(Oc4ccc(cc4)C(C)C)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C27H26N2O2/c1-4-5-15-28-26-24-20-13-14-22(31-18-11-9-17(10-12-18)16(2)3)19-7-6-8-21(23(19)20)25(24)29-27(26)30/h6-14,16H,4-5,15H2,1-3H3,(H,28,29,30)
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n/an/a 141n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50449354
PNG
(CHEMBL3126307)
Show SMILES CC(C)CNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1C(O)=O)-c1ccc(C)c2ccccc12
Show InChI InChI=1S/C29H29N3O5S/c1-18(2)17-30-29(35)31-21-10-12-22(13-11-21)38(36,37)32-27-16-20(9-15-26(27)28(33)34)24-14-8-19(3)23-6-4-5-7-25(23)24/h4-16,18,32H,17H2,1-3H3,(H,33,34)(H2,30,31,35)
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n/an/a 150n/an/an/an/an/an/a



Research& Development, AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCL-1 (174 to 236) expressed in Escherichia coli BL21(DE3) using 6FAM-GELEVEFATQLRRFGDKLN as substrate after 15 mins ...


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50424208
PNG
(CHEMBL2312471)
Show SMILES CCCCNc1c2c3ccc(Sc4ccc(OC)cc4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C25H22N2O2S/c1-3-4-14-26-24-22-18-12-13-20(30-16-10-8-15(29-2)9-11-16)17-6-5-7-19(21(17)18)23(22)27-25(24)28/h5-13H,3-4,14H2,1-2H3,(H,26,27,28)
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n/an/a 150n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM23223
PNG
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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n/an/a 170n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of biotin-Bim peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013867
PNG
(CHEMBL3265299)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO6S2/c26-23(27)15-32-22-14-21(19-8-4-5-9-20(19)24(22)28)25-33(29,30)18-12-10-17(11-13-18)31-16-6-2-1-3-7-16/h1-14,25,28H,15H2,(H,26,27)
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n/an/a 180n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of MCL1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50425965
PNG
(CHEMBL2314384)
Show SMILES CC(C)c1ccc(Sc2c[nH]c(=O)c(c2)C(=O)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C24H26N2O2S/c1-17(2)19-10-12-20(13-11-19)29-21-15-22(24(28)26-16-21)23(27)25-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,15-17H,6,9,14H2,1-2H3,(H,25,27)(H,26,28)
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n/an/a 192n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of biotin-Bim peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50316672
PNG
((R)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-N5-((...)
Show SMILES C[C@@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1
Show InChI InChI=1S/C42H40N2O8/c1-21-15-27-29(17-31(45)39(49)35(27)41(51)43-19-23(3)25-11-7-5-8-12-25)37(47)33(21)34-22(2)16-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-20-24(4)26-13-9-6-10-14-26/h5-18,23-24,45-50H,19-20H2,1-4H3,(H,43,51)(H,44,52)/t23-,24-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled Bak BH3 peptide from Mcl-1 after 30 mins by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50316672
PNG
((R)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-N5-((...)
Show SMILES C[C@@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1
Show InChI InChI=1S/C42H40N2O8/c1-21-15-27-29(17-31(45)39(49)35(27)41(51)43-19-23(3)25-11-7-5-8-12-25)37(47)33(21)34-22(2)16-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-20-24(4)26-13-9-6-10-14-26/h5-18,23-24,45-50H,19-20H2,1-4H3,(H,43,51)(H,44,52)/t23-,24-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled Bak BH3 peptide from Mcl-1 after 30 mins by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50449355
PNG
(CHEMBL3126306)
Show SMILES Cc1ccc(-c2ccc(C(O)=O)c(NS(=O)(=O)c3cccc(c3)N3CCOCC3)c2)c2ccccc12
Show InChI InChI=1S/C28H26N2O5S/c1-19-9-11-24(25-8-3-2-7-23(19)25)20-10-12-26(28(31)32)27(17-20)29-36(33,34)22-6-4-5-21(18-22)30-13-15-35-16-14-30/h2-12,17-18,29H,13-16H2,1H3,(H,31,32)
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n/an/a 200n/an/an/an/an/an/a



Research& Development, AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCL-1 (174 to 236) expressed in Escherichia coli BL21(DE3) using 6FAM-GELEVEFATQLRRFGDKLN as substrate after 15 mins ...


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50352179
PNG
(CHEMBL1824813)
Show SMILES Clc1cc(Cl)cc(c1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H19Cl2NO4S/c27-22-14-21(15-23(28)16-22)19-7-4-8-20(13-19)26(30)29-34(31,32)25-11-9-24(10-12-25)33-17-18-5-2-1-3-6-18/h1-16H,17H2,(H,29,30)
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n/an/a 220n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of FITC labeled Bak BH3 peptide from Mcl-1 after 2 mins by Fluorescence Polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM31809
PNG
(Apogossypol derivative, 8k)
Show SMILES CC(NC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC(C)c3ccc(Cl)cc3)c(O)c(O)cc2c1O)c1ccc(Cl)cc1
Show InChI InChI=1S/C40H34Cl2N2O8/c1-17-13-25-27(15-29(45)37(49)33(25)39(51)43-19(3)21-5-9-23(41)10-6-21)35(47)31(17)32-18(2)14-26-28(36(32)48)16-30(46)38(50)34(26)40(52)44-20(4)22-7-11-24(42)12-8-22/h5-16,19-20,45-50H,1-4H3,(H,43,51)(H,44,52)
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n/an/a 230n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50316671
PNG
((S)-1,(R)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl...)
Show SMILES C[C@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC[C@@H](C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1
Show InChI InChI=1S/C42H40N2O8/c1-21-15-27-29(17-31(45)39(49)35(27)41(51)43-19-23(3)25-11-7-5-8-12-25)37(47)33(21)34-22(2)16-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-20-24(4)26-13-9-6-10-14-26/h5-18,23-24,45-50H,19-20H2,1-4H3,(H,43,51)(H,44,52)/t23-,24-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled Bak BH3 peptide from Mcl-1 after 30 mins by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50316671
PNG
((S)-1,(R)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl...)
Show SMILES C[C@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC[C@@H](C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1
Show InChI InChI=1S/C42H40N2O8/c1-21-15-27-29(17-31(45)39(49)35(27)41(51)43-19-23(3)25-11-7-5-8-12-25)37(47)33(21)34-22(2)16-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-20-24(4)26-13-9-6-10-14-26/h5-18,23-24,45-50H,19-20H2,1-4H3,(H,43,51)(H,44,52)/t23-,24-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled Bak BH3 peptide from Mcl-1 after 30 mins by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM142756
PNG
(US8937193, 6i)
Show SMILES Cc1c(-c2c(C)c(=O)c3c(Cc4ccccc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(Cc3ccccc3)c2c1=O
Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-12,15-16,37-38,41-42H,13-14H2,1-2H3
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US Patent
n/an/a 240n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

US Patent


Assay Description
A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR (SEQ ID NO:1)) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes)...


US Patent US8937193 (2015)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50330250
PNG
(5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...)
Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O
Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2
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n/an/a 240n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of F-BakBH3 from Mcl-1 after 30 mins by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50425966
PNG
(CHEMBL2314382)
Show SMILES CCCCNC(=O)c1cc(Sc2ccc(cc2)C(C)C)c[nH]c1=O
Show InChI InChI=1S/C19H24N2O2S/c1-4-5-10-20-18(22)17-11-16(12-21-19(17)23)24-15-8-6-14(7-9-15)13(2)3/h6-9,11-13H,4-5,10H2,1-3H3,(H,20,22)(H,21,23)
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n/an/a 241n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of biotin-Bim peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM31810
PNG
(Apogossypol derivative, 8r)
Show SMILES CC(CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1
Show InChI InChI=1S/C42H40N2O8/c1-21-15-27-29(17-31(45)39(49)35(27)41(51)43-19-23(3)25-11-7-5-8-12-25)37(47)33(21)34-22(2)16-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-20-24(4)26-13-9-6-10-14-26/h5-18,23-24,45-50H,19-20H2,1-4H3,(H,43,51)(H,44,52)
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n/an/a 280n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50449356
PNG
(CHEMBL3126305)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1C(O)=O)-c1ccc(C)c2ccccc12
Show InChI InChI=1S/C29H29NO4S/c1-3-4-5-8-21-12-15-23(16-13-21)35(33,34)30-28-19-22(14-18-27(28)29(31)32)25-17-11-20(2)24-9-6-7-10-26(24)25/h6-7,9-19,30H,3-5,8H2,1-2H3,(H,31,32)
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n/an/a 300n/an/an/an/an/an/a



Research& Development, AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCL-1 (174 to 236) expressed in Escherichia coli BL21(DE3) using 6FAM-GELEVEFATQLRRFGDKLN as substrate after 15 mins ...


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM31805
PNG
(Apogossypol derivative, 8n)
Show SMILES Cc1cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c1O
Show InChI InChI=1S/C40H36N2O8/c1-21-17-25-27(19-29(43)37(47)33(25)39(49)41-15-13-23-9-5-3-6-10-23)35(45)31(21)32-22(2)18-26-28(36(32)46)20-30(44)38(48)34(26)40(50)42-16-14-24-11-7-4-8-12-24/h3-12,17-20,43-48H,13-16H2,1-2H3,(H,41,49)(H,42,50)
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n/an/a 300n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50371611
PNG
(CHEMBL258819)
Show SMILES Oc1c(O)c(cc(C(=O)c2ccc(Oc3ccccc3)cc2)c1O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C27H17NO6S/c29-22(15-10-12-17(13-11-15)34-16-6-2-1-3-7-16)18-14-19(24(31)26(33)23(18)30)25(32)27-28-20-8-4-5-9-21(20)35-27/h1-14,30-31,33H
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n/an/a 310n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Mcl-1 protein by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50442292
PNG
(CHEMBL2442249)
Show SMILES CCN1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C23H23ClF3N3O/c1-2-29-10-12-30(13-11-29)21(15-5-7-16(8-6-15)23(25,26)27)18-14-19(24)17-4-3-9-28-20(17)22(18)31/h3-9,14,21,31H,2,10-13H2,1H3
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n/an/a 310n/an/an/an/an/an/a



Eutropics Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged Mcl1 expressed in Escherichia coli BL21 using FITC-AHA-MRPEIWIAQELRRIGDEFNA-[NH2] after 20 mins by fluorescence polari...


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50330251
PNG
(CHEMBL1269012 | N5,N5'-Bis(4-ethylphenethyl)-6,6',...)
Show SMILES CCc1ccc(CCNC(=O)c2c(O)c(O)cc3C(=O)C(=C(C)C(=O)c23)C2=C(C)C(=O)c3c(cc(O)c(O)c3C(=O)NCCc3ccc(CC)cc3)C2=O)cc1
Show InChI InChI=1S/C44H40N2O10/c1-5-23-7-11-25(12-8-23)15-17-45-43(55)35-33-27(19-29(47)41(35)53)39(51)31(21(3)37(33)49)32-22(4)38(50)34-28(40(32)52)20-30(48)42(54)36(34)44(56)46-18-16-26-13-9-24(6-2)10-14-26/h7-14,19-20,47-48,53-54H,5-6,15-18H2,1-4H3,(H,45,55)(H,46,56)
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n/an/a 320n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of F-BakBH3 from Mcl-1 after 30 mins by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM142748
PNG
(US8937193, 8c)
Show SMILES CCc1ccc(CCNC(=O)c2c(O)c(O)cc3c2c(=O)c(C)c(-c2c(C)c(=O)c4c(C(=O)NCCc5ccc(CC)cc5)c(O)c(O)cc4c2=O)c3=O)cc1
Show InChI InChI=1S/C44H40N2O10/c1-5-23-7-11-25(12-8-23)15-17-45-43(55)35-33-27(19-29(47)41(35)53)39(51)31(21(3)37(33)49)32-22(4)38(50)34-28(40(32)52)20-30(48)42(54)36(34)44(56)46-18-16-26-13-9-24(6-2)10-14-26/h7-14,19-20,47-48,53-54H,5-6,15-18H2,1-4H3,(H,45,55)(H,46,56)
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US Patent
n/an/a 320n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

US Patent


Assay Description
A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR (SEQ ID NO:1)) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes)...


US Patent US8937193 (2015)

More data for this
Ligand-Target Pair
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