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Compile Data Set for Download or QSAR

Found 563 hits of affinity data for UniProtKB/TrEMBL: E7ENM2    Zinc 0: unavailable per Zinc DB. Zinc 1: purchasable, 2 weeks to supply. Zinc 2: made on demand. Zinc 4: potentially available
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
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL410802
PNG
(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
PDB
MMDB

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KEGG

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12.0n/an/an/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
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2180320
PNG
Show SMILES CC(C)c1ccc(Sc2ccc3C(=O)c4cc(O)c(O)cc4C(=O)c3c2)cc1
Show InChI InChI=1S/C23H18O4S/c1-12(2)13-3-5-14(6-4-13)28-15-7-8-16-17(9-15)23(27)19-11-21(25)20(24)10-18(19)22(16)26/h3-12,24-25H,1-2H3
PDB
MMDB

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13.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 after 30 mins by florescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL226578
PNG
(1,4-bis(5,6,7-trihydroxy-8-isobutyl-2-methyl-4-oxo...)
Show SMILES CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)c(-c1ccc(cc1)-c1c(C)oc3c(CC(C)C)c(O)c(O)c(O)c3c1=O)c2=O
Show InChI InChI=1S/C34H34O10/c1-13(2)11-19-25(35)31(41)29(39)23-27(37)21(15(5)43-33(19)23)17-7-9-18(10-8-17)22-16(6)44-34-20(12-14(3)4)26(36)32(42)30(40)24(34)28(22)38/h7-10,13-14,35-36,39-42H,11-12H2,1-6H3
PDB
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18.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 (unknown origin) by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL226578
PNG
(1,4-bis(5,6,7-trihydroxy-8-isobutyl-2-methyl-4-oxo...)
Show SMILES CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)c(-c1ccc(cc1)-c1c(C)oc3c(CC(C)C)c(O)c(O)c(O)c3c1=O)c2=O
Show InChI InChI=1S/C34H34O10/c1-13(2)11-19-25(35)31(41)29(39)23-27(37)21(15(5)43-33(19)23)17-7-9-18(10-8-17)22-16(6)44-34-20(12-14(3)4)26(36)32(42)30(40)24(34)28(22)38/h7-10,13-14,35-36,39-42H,11-12H2,1-6H3
PDB
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NCI pathway
KEGG

UniProtKB/SwissProt
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18.0n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-Bim peptide from human Mcl1 by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1824190
PNG
Show SMILES CCC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1/C25H18N2O2/c1-3-14(2)15-7-9-16(10-8-15)29-21-12-11-18-22-17(21)5-4-6-19(22)24-23(18)20(13-26)25(28)27-24/h4-12,14H,3H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
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24.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL258819
PNG
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
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
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PubMed
37.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 (unknown origin) by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL258819
PNG
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
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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CHEMBL
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PubMed
37.0n/an/an/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
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2180318
PNG
Show SMILES Cc1ccc(Sc2ccc3C(=O)c4cc(O)c(O)cc4C(=O)c3c2)cc1
Show InChI InChI=1S/C21H14O4S/c1-11-2-4-12(5-3-11)26-13-6-7-14-15(8-13)21(25)17-10-19(23)18(22)9-16(17)20(14)24/h2-10,22-23H,1H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PubMed
38.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 after 30 mins by florescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1672081
PNG
(3-(4-bromophenylthio)-8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES Brc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C21H9BrN2OS/c22-11-4-6-12(7-5-11)26-17-9-8-14-18-13(17)2-1-3-15(18)20-19(14)16(10-23)21(25)24-20/h1-9H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PubMed
49.0n/an/an/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 fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2180319
PNG
Show SMILES Oc1cc2C(=O)c3ccc(Sc4ccccc4)cc3C(=O)c2cc1O
Show InChI InChI=1S/C20H12O4S/c21-17-9-15-16(10-18(17)22)20(24)14-8-12(6-7-13(14)19(15)23)25-11-4-2-1-3-5-11/h1-10,21-22H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
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ZINC 0

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PubMed
53.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 after 30 mins by florescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2314209
PNG
Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl
Show InChI InChI=1S/C20H19Cl2NO3/c1-11-8-14(9-12(2)18(11)22)26-7-3-4-16-15-6-5-13(21)10-17(15)23-19(16)20(24)25/h5-6,8-10,23H,3-4,7H2,1-2H3,(H,24,25)
PDB
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PDB
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PDB
Article
PubMed
55.0n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2180317
PNG
Show SMILES Oc1cc2C(=O)c3ccc(Sc4ccc(Br)cc4)cc3C(=O)c2cc1O
Show InChI InChI=1S/C20H11BrO4S/c21-10-1-3-11(4-2-10)26-12-5-6-13-14(7-12)20(25)16-9-18(23)17(22)8-15(16)19(13)24/h1-9,22-23H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
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ZINC 0

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Article
PubMed
56.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 after 30 mins by florescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL595134
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
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0
AffyNet 
Article
PubMed
58.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of FAM-Bid peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization-based binding assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL595134
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
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
ZINC 0
AffyNet 
Article
PubMed
58.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL595134
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
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
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Article
PubMed
58.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL595134
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
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
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Article
PubMed
62.0n/an/an/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 fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2314502
PNG
Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2CCCCc12
Show InChI InChI=1S/C22H22ClNO3/c23-15-10-11-17-18(21(22(25)26)24-19(17)13-15)8-4-12-27-20-9-3-6-14-5-1-2-7-16(14)20/h3,6,9-11,13,24H,1-2,4-5,7-8,12H2,(H,25,26)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
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Article
PubMed
66.0n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2314210
PNG
Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2ccccc12
Show InChI InChI=1S/C22H18ClNO3/c23-15-10-11-17-18(21(22(25)26)24-19(17)13-15)8-4-12-27-20-9-3-6-14-5-1-2-7-16(14)20/h1-3,5-7,9-11,13,24H,4,8,12H2,(H,25,26)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
75.0n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1672078
PNG
(3-(4-isopropylthiophenol)-8-oxo-8H-acenaphtho[1,2-...)
Show SMILES CC(C)c1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C24H16N2OS/c1-13(2)14-6-8-15(9-7-14)28-20-11-10-17-21-16(20)4-3-5-18(21)23-22(17)19(12-25)24(27)26-23/h3-11,13H,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
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82.0n/an/an/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 fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1672079
PNG
(3-(4-N,N-dimethylaminophenylthio)-8-oxo-8H-acenaph...)
Show SMILES CN(C)c1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C23H15N3OS/c1-26(2)13-6-8-14(9-7-13)28-19-11-10-16-20-15(19)4-3-5-17(20)22-21(16)18(12-24)23(27)25-22/h3-11H,1-2H3
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91.0n/an/an/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 fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1672071
PNG
(Isopropyl-3-(4-isopropylphenoxy)-8-oxo-8H-acenapht...)
Show SMILES CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C24H16N2O2/c1-13(2)14-6-8-15(9-7-14)28-20-11-10-17-21-16(20)4-3-5-18(21)23-22(17)19(12-25)24(27)26-23/h3-11,13H,1-2H3
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99.0n/an/an/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 fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1672071
PNG
(Isopropyl-3-(4-isopropylphenoxy)-8-oxo-8H-acenapht...)
Show SMILES CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C24H16N2O2/c1-13(2)14-6-8-15(9-7-14)28-20-11-10-17-21-16(20)4-3-5-18(21)23-22(17)19(12-25)24(27)26-23/h3-11,13H,1-2H3
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99.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2180321
PNG
Show SMILES Oc1cc2C(=O)c3ccc(Br)cc3C(=O)c2cc1O
Show InChI InChI=1S/C14H7BrO4/c15-6-1-2-7-8(3-6)14(19)10-5-12(17)11(16)4-9(10)13(7)18/h1-5,16-17H
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107.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 after 30 mins by florescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2314177
PNG
Show SMILES OC(=O)c1sc2cc(Cl)ccc2c1CCCOc1cccc2ccccc12
Show InChI InChI=1S/C22H17ClO3S/c23-15-10-11-17-18(21(22(24)25)27-20(17)13-15)8-4-12-26-19-9-3-6-14-5-1-2-7-16(14)19/h1-3,5-7,9-11,13H,4,8,12H2,(H,24,25)
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120.0n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1672070
PNG
(3-(4-methoxyphenoxy)-8-oxo-8H-acenaphtho[1,2-b]pyr...)
Show SMILES COc1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C22H12N2O3/c1-26-12-5-7-13(8-6-12)27-18-10-9-15-19-14(18)3-2-4-16(19)21-20(15)17(11-23)22(25)24-21/h2-10H,1H3
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122.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1672072
PNG
(N,N-dimethylamino-3-(4-N,N-dimethylaminophenoxy)-8...)
Show SMILES CN(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C23H15N3O2/c1-26(2)13-6-8-14(9-7-13)28-19-11-10-16-20-15(19)4-3-5-17(20)22-21(16)18(12-24)23(27)25-22/h3-11H,1-2H3
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122.0n/an/an/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 fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Mcl-1


(Homo sapiens (human))
CHEMBL2436891
PNG
Show SMILES Cc1ccc(O)c(Cn2c(nc3c(O)c(O)c(O)cc3c2=O)-c2ccccc2)c1
Show InChI InChI=1S/C22H18N2O5/c1-12-7-8-16(25)14(9-12)11-24-21(13-5-3-2-4-6-13)23-18-15(22(24)29)10-17(26)19(27)20(18)28/h2-10,25-28H,11H2,1H3
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123.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid BH3 peptide from recombinant Mcl-1 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2314171
PNG
Show SMILES Cc1cc(OCCCc2c(C(O)=O)n(C)c3cc(Cl)ccc23)cc(C)c1Cl
Show InChI InChI=1S/C21H21Cl2NO3/c1-12-9-15(10-13(2)19(12)23)27-8-4-5-17-16-7-6-14(22)11-18(16)24(3)20(17)21(25)26/h6-7,9-11H,4-5,8H2,1-3H3,(H,25,26)
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140.0n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1824188
PNG
Show SMILES COc1ccccc1Oc1ccc2c3c(C#N)c(=O)nc3c3cccc1c23
Show InChI InChI=1S/C22H12N2O3/c1-26-17-7-2-3-8-18(17)27-16-10-9-13-19-12(16)5-4-6-14(19)21-20(13)15(11-23)22(25)24-21/h2-10H,1H3
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149.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL259034
PNG
Show SMILES Oc1c(O)c(cc(C(=O)c2cccc3ccccc23)c1O)C(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C30H20O6/c31-26(19-13-15-21(16-14-19)36-20-9-2-1-3-10-20)24-17-25(29(34)30(35)28(24)33)27(32)23-12-6-8-18-7-4-5-11-22(18)23/h1-17,33-35H
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150.0n/an/an/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
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL376055
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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150.0n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid BH3 peptide from human Mcl1 by FP-based binding assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1672077
PNG
(3-(4-methoxyphenylthio)-8-oxo-8H-acenaphtho[1,2-b]...)
Show SMILES COc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C22H12N2O2S/c1-26-12-5-7-13(8-6-12)27-18-10-9-15-19-14(18)3-2-4-16(19)21-20(15)17(11-23)22(25)24-21/h2-10H,1H3
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151.0n/an/an/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 fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2314206
PNG
Show SMILES Cc1cc(OCCCc2c([nH]c3cccc(Cl)c23)C(O)=O)cc(C)c1Cl
Show InChI InChI=1S/C20H19Cl2NO3/c1-11-9-13(10-12(2)18(11)22)26-8-4-5-14-17-15(21)6-3-7-16(17)23-19(14)20(24)25/h3,6-7,9-10,23H,4-5,8H2,1-2H3,(H,24,25)
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160.0n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1269107
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/b21-13-,22-14-
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160.0n/an/an/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
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1672068
PNG
(3-(p-tolyloxy)-8-oxo-8H-acenaphtho[1,2-b]pyrrole-9...)
Show SMILES Cc1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C22H12N2O2/c1-12-5-7-13(8-6-12)26-18-10-9-15-19-14(18)3-2-4-16(19)21-20(15)17(11-23)22(25)24-21/h2-10H,1H3
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174.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
Gossypol
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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180.0n/an/an/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
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2314503
PNG
Show SMILES Cc1cc(OCCCc2c(C(O)=O)n(C)c3ccccc23)cc(C)c1Cl
Show InChI InChI=1S/C21H22ClNO3/c1-13-11-15(12-14(2)19(13)22)26-10-6-8-17-16-7-4-5-9-18(16)23(3)20(17)21(24)25/h4-5,7,9,11-12H,6,8,10H2,1-3H3,(H,24,25)
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180.0n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
Gossypol
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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180.0n/an/an/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Binding affinity to MCL1


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2314208
PNG
Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(O)=O)ccc1Cl
Show InChI InChI=1S/C19H17Cl2NO3/c1-11-9-13(5-7-16(11)21)25-8-2-3-15-14-6-4-12(20)10-17(14)22-18(15)19(23)24/h4-7,9-10,22H,2-3,8H2,1H3,(H,23,24)
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190.0n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
Gossypol
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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190.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of FAM-Bid peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization-based binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mcl-1


(Homo sapiens (human))
Gossypol
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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190.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid BH3 peptide from recombinant Mcl-1 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1269012
PNG
(N5,N5'-Bis(4-ethylphenethyl)-6,6',7,7'-tetrahydrox...)
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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210.0n/an/an/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
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1824187
PNG
Show SMILES Cc1ccccc1Oc1ccc2c3c(C#N)c(=O)nc3c3cccc1c23
Show InChI InChI=1S/C22H12N2O2/c1-12-5-2-3-8-17(12)26-18-10-9-14-19-13(18)6-4-7-15(19)21-20(14)16(11-23)22(25)24-21/h2-10H,1H3
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213.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1269072
PNG
(6,6',7,7'-Tetrahydroxy-3,3'-dimethyl-5,5'-bis(2-ph...)
Show SMILES CC1=C(C(=O)c2cc(O)c(O)c(C(=O)Cc3ccccc3)c2C1=O)C1=C(C)C(=O)c2c(cc(O)c(O)c2C(=O)Cc2ccccc2)C1=O
Show InChI InChI=1S/C38H26O10/c1-17-27(35(45)21-15-25(41)37(47)31(29(21)33(17)43)23(39)13-19-9-5-3-6-10-19)28-18(2)34(44)30-22(36(28)46)16-26(42)38(48)32(30)24(40)14-20-11-7-4-8-12-20/h3-12,15-16,41-42,47-48H,13-14H2,1-2H3
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230.0n/an/an/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
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2314176
PNG
Show SMILES Cc1cc(OCCCc2c(sc3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl
Show InChI InChI=1S/C20H18Cl2O3S/c1-11-8-14(9-12(2)18(11)22)25-7-3-4-16-15-6-5-13(21)10-17(15)26-19(16)20(23)24/h5-6,8-10H,3-4,7H2,1-2H3,(H,23,24)
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250.0n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1672070
PNG
(3-(4-methoxyphenoxy)-8-oxo-8H-acenaphtho[1,2-b]pyr...)
Show SMILES COc1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C22H12N2O3/c1-26-12-5-7-13(8-6-12)27-18-10-9-15-19-14(18)3-2-4-16(19)21-20(15)17(11-23)22(25)24-21/h2-10H,1H3
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258.0n/an/an/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 fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL2314504
PNG
Show SMILES Cn1c(C(O)=O)c(CCCOc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C23H21NO3/c1-24-20-13-5-4-11-18(20)19(22(24)23(25)26)12-7-15-27-21-14-6-9-16-8-2-3-10-17(16)21/h2-6,8-11,13-14H,7,12,15H2,1H3,(H,25,26)
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260.0n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL217354
PNG
((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...)
Show SMILES CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(O)c(O)c1O
Show InChI InChI=1S/C33H35NO6S/c1-20(2)25-11-7-6-10-21(25)18-22-19-26(30(36)31(37)29(22)35)32(38)34-23-14-16-24(17-15-23)41(39,40)28-13-9-8-12-27(28)33(3,4)5/h6-17,19-20,35-37H,18H2,1-5H3,(H,34,38)
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260.0n/an/an/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
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL1269110
PNG
(5,5'-Bis(4-chlorobenzyl)-6,6',7,7''-tetrahydroxy-3...)
Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccc(Cl)cc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccc(Cl)cc2)c1O
Show InChI InChI=1S/C36H24Cl2O8/c1-15-27(35(45)23-13-25(39)33(43)21(29(23)31(15)41)11-17-3-7-19(37)8-4-17)28-16(2)32(42)30-22(12-18-5-9-20(38)10-6-18)34(44)26(40)14-24(30)36(28)46/h3-14,39-46H,1-2H2/b21-11-,22-12-
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270.0n/an/an/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
Myeloid cell leukemia sequence 1 (BCL2-related)


(Homo sapiens)
CHEMBL192032
PNG
Show SMILES Oc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O
Show InChI InChI=1S/C14H8O5/c15-9-5-8-10(14(19)13(9)18)12(17)7-4-2-1-3-6(7)11(8)16/h1-5,15,18-19H
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270.0n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 after 30 mins by florescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
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