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Compile Data Set for Download or QSAR

Found 2573 hits with Last Name = 'walter' and Initial = 'h'   
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
Adenosine deaminase


(Homo sapiens (Human))
BDBM22925
PNG
((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |c:17|
Show InChI InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1
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0.00250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of human erythrocytic adenosine deaminase.


J Med Chem 26: 1478-82 (1983)

Checked by Author
BindingDB Entry DOI: 10.7270/Q29Z95GT
More data for this
Ligand-Target Pair
Adenosine deaminase


(Homo sapiens (Human))
BDBM50367032
PNG
(COFORMYCIN)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |r,c:18|
Show InChI InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1
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0.0100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of human erythrocytic adenosine deaminase


J Med Chem 26: 1478-82 (1983)

Checked by Author
BindingDB Entry DOI: 10.7270/Q29Z95GT
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase, decarboxylating


(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
BDBM50148767
PNG
(2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...)
Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1
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10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50028153
PNG
(3-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)
Show SMILES CC1=Nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](CO)O2)[C@H](O)CN1 |t:1|
Show InChI InChI=1S/C12H18N4O4/c1-6-13-3-8(19)11-12(15-6)16(5-14-11)10-2-7(18)9(4-17)20-10/h5,7-10,17-19H,2-4H2,1H3,(H,13,15)/t7-,8-,9-,10-/m1/s1
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of adenosine deaminase in calf intestinal mucosa


J Med Chem 26: 1478-82 (1983)

Checked by Author
BindingDB Entry DOI: 10.7270/Q29Z95GT
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase, decarboxylating


(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
BDBM50148780
PNG
(((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dio...)
Show SMILES CC1(C)O[C@H](COP(O)(O)=O)[C@@H](O1)C(=O)NO
Show InChI InChI=1S/C7H14NO8P/c1-7(2)15-4(3-14-17(11,12)13)5(16-7)6(9)8-10/h4-5,10H,3H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5-/m1/s1
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35n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase, decarboxylating


(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
BDBM50148765
PNG
(1-(hydroxyamino)-1-oxo-4-(phosphonooxy)butane-2,3-...)
Show SMILES CC(=O)O[C@H](COP(O)(O)=O)[C@@H](OC(C)=O)C(=O)NO
Show InChI InChI=1S/C8H14NO10P/c1-4(10)18-6(3-17-20(14,15)16)7(8(12)9-13)19-5(2)11/h6-7,13H,3H2,1-2H3,(H,9,12)(H2,14,15,16)/t6-,7-/m1/s1
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80n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50028156
PNG
(3-(2-Hydroxy-ethoxymethyl)-3,6,7,8-tetrahydro-imid...)
Show SMILES OCCOCn1cnc2C(O)CNC=Nc12 |c:13|
Show InChI InChI=1S/C9H14N4O3/c14-1-2-16-6-13-5-12-8-7(15)3-10-4-11-9(8)13/h4-5,7,14-15H,1-3,6H2,(H,10,11)
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98n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of adenosine deaminase in calf intestinal mucosa


J Med Chem 26: 1478-82 (1983)

Checked by Author
BindingDB Entry DOI: 10.7270/Q29Z95GT
More data for this
Ligand-Target Pair
Glucose-6-phosphate isomerase


(Oryctolagus cuniculus)
BDBM50342610
PNG
((2R,3R,4S)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxo...)
Show SMILES ONC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O |r|
Show InChI InChI=1S/C5H12NO9P/c7-2(1-15-16(12,13)14)3(8)4(9)5(10)6-11/h2-4,7-9,11H,1H2,(H,6,10)(H2,12,13,14)/t2-,3-,4+/m1/s1
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100n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of rabbit cytosolic phosphoglucose isomerase


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50450976
PNG
(CHEMBL4210672)
Show SMILES CN1CCC=C(C1)c1cnc(F)c(c1)-c1ccccc1 |c:4|
Show InChI InChI=1S/C17H17FN2/c1-20-9-5-8-14(12-20)15-10-16(17(18)19-11-15)13-6-3-2-4-7-13/h2-4,6-8,10-11H,5,9,12H2,1H3
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123n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as reduction in acetylcholine-induced peak current at -60...


Bioorg Med Chem Lett 27: 4350-4353 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.025
BindingDB Entry DOI: 10.7270/Q2H70JDP
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238185
PNG
(US9394303, 57)
Show SMILES Cc1nn(Cc2ccc(Oc3cc(C)c(Cl)c(C)c3)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C27H22ClN3O4/c1-15-11-20(12-16(2)25(15)28)35-19-8-6-18(7-9-19)14-31-26-24(17(3)30-31)21(27(32)33)13-22(29-26)23-5-4-10-34-23/h4-13H,14H2,1-3H3,(H,32,33)
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130 -39.3 670n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50013865
PNG
(CHEMBL3265297)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H18ClNO5S2/c25-17-9-5-15(6-10-17)16-7-11-18(12-8-16)33(30,31)26-21-13-22(32-14-23(27)28)24(29)20-4-2-1-3-19(20)21/h1-13,26,29H,14H2,(H,27,28)
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170n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
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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180n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238190
PNG
(US9394303, 16)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(\C=C\c3ccccc3)cc(C(O)=O)c12
Show InChI InChI=1S/C29H23N3O3/c1-20-27-26(29(33)34)18-23(15-12-21-8-4-2-5-9-21)30-28(27)32(31-20)19-22-13-16-25(17-14-22)35-24-10-6-3-7-11-24/h2-18H,19H2,1H3,(H,33,34)/b15-12+
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210 -38.1 1.11E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50013891
PNG
(CHEMBL3260032)
Show SMILES Oc1c(SCc2nnn[nH]2)cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc12
Show InChI InChI=1S/C24H19N5O4S2/c30-24-20-9-5-4-8-19(20)21(14-22(24)34-15-23-25-28-29-26-23)27-35(31,32)18-12-10-17(11-13-18)33-16-6-2-1-3-7-16/h1-14,27,30H,15H2,(H,25,26,28,29)
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210n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50013866
PNG
(CHEMBL3265298)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(F)cc2F)c2ccccc2c1O
Show InChI InChI=1S/C24H17F2NO5S2/c25-15-7-10-17(20(26)11-15)14-5-8-16(9-6-14)34(31,32)27-21-12-22(33-13-23(28)29)24(30)19-4-2-1-3-18(19)21/h1-12,27,30H,13H2,(H,28,29)
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240n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238186
PNG
(US9394303, 58)
Show SMILES Cc1nn(Cc2ccc(Oc3cccc4ccccc34)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C29H21N3O4/c1-18-27-23(29(33)34)16-24(26-10-5-15-35-26)30-28(27)32(31-18)17-19-11-13-21(14-12-19)36-25-9-4-7-20-6-2-3-8-22(20)25/h2-16H,17H2,1H3,(H,33,34)
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250 -37.7 1.28E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238181
PNG
(US9394303, 8)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C25H19N3O4/c1-16-23-20(25(29)30)14-21(22-8-5-13-31-22)26-24(23)28(27-16)15-17-9-11-19(12-10-17)32-18-6-3-2-4-7-18/h2-14H,15H2,1H3,(H,29,30)
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290 -37.3 1.52E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50013868
PNG
(CHEMBL3265300)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H18FNO6S2/c25-15-5-7-16(8-6-15)32-17-9-11-18(12-10-17)34(30,31)26-21-13-22(33-14-23(27)28)24(29)20-4-2-1-3-19(20)21/h1-13,26,29H,14H2,(H,27,28)
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290n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase, decarboxylating


(Ovis aries)
BDBM50148765
PNG
(1-(hydroxyamino)-1-oxo-4-(phosphonooxy)butane-2,3-...)
Show SMILES CC(=O)O[C@H](COP(O)(O)=O)[C@@H](OC(C)=O)C(=O)NO
Show InChI InChI=1S/C8H14NO10P/c1-4(10)18-6(3-17-20(14,15)16)7(8(12)9-13)19-5(2)11/h6-7,13H,3H2,1-2H3,(H,9,12)(H2,14,15,16)/t6-,7-/m1/s1
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360n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of sheep 6-phosphogluconate dehydrogenase


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50013862
PNG
(CHEMBL3265294)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-22-14-21(19-8-4-5-9-20(19)24(22)28)25-32(29,30)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-14,25,28H,15H2,(H,26,27)
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370n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50013863
PNG
(CHEMBL3265295)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-22-14-21(19-11-4-5-12-20(19)24(22)28)25-32(29,30)18-10-6-9-17(13-18)16-7-2-1-3-8-16/h1-14,25,28H,15H2,(H,26,27)
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380n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238192
PNG
(US9394303, 18)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(CCc3ccccc3)cc(C(O)=O)c12
Show InChI InChI=1S/C29H25N3O3/c1-20-27-26(29(33)34)18-23(15-12-21-8-4-2-5-9-21)30-28(27)32(31-20)19-22-13-16-25(17-14-22)35-24-10-6-3-7-11-24/h2-11,13-14,16-18H,12,15,19H2,1H3,(H,33,34)
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490 -36.0 2.54E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM53290
PNG
(2-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynapht...)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H14BrNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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490n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50013838
PNG
(CHEMBL3260042)
Show SMILES COc1c(I)cc(C=O)c2ccccc12
Show InChI InChI=1S/C12H9IO2/c1-15-12-10-5-3-2-4-9(10)8(7-14)6-11(12)13/h2-7H,1H3
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550n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50013861
PNG
(CHEMBL3235895)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O
Show InChI InChI=1S/C22H17NO5S2/c24-21(25)13-29-20-12-19(17-7-3-4-8-18(17)22(20)26)23-30(27,28)16-10-9-14-5-1-2-6-15(14)11-16/h1-12,23,26H,13H2,(H,24,25)
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730n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50013845
PNG
(CHEMBL3265290)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C22H23NO5S2/c1-22(2,3)14-8-10-15(11-9-14)30(27,28)23-18-12-19(29-13-20(24)25)21(26)17-7-5-4-6-16(17)18/h4-12,23,26H,13H2,1-3H3,(H,24,25)
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810n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238187
PNG
(US9394303, 59)
Show SMILES Cc1nn(-c2ccc(Oc3ccccc3)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C24H17N3O4/c1-15-22-19(24(28)29)14-20(21-8-5-13-30-21)25-23(22)27(26-15)16-9-11-18(12-10-16)31-17-6-3-2-4-7-17/h2-14H,1H3,(H,28,29)
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820 -34.7 4.27E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM53262
PNG
(2-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaph...)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H14ClNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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820n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238196
PNG
(US9394303, 62)
Show SMILES Cc1nn(Cc2ccc(Oc3ccc(F)cc3)cc2)c2nc(cc(C(O)=O)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C27H19F2N3O3/c1-16-25-23(27(33)34)14-24(18-4-6-19(28)7-5-18)30-26(25)32(31-16)15-17-2-10-21(11-3-17)35-22-12-8-20(29)9-13-22/h2-14H,15H2,1H3,(H,33,34)
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880 -34.6 4.51E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238184
PNG
(US9394303, 56)
Show SMILES Cc1nn(Cc2ccc(Oc3ccc(F)cc3)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C25H18FN3O4/c1-15-23-20(25(30)31)13-21(22-3-2-12-32-22)27-24(23)29(28-15)14-16-4-8-18(9-5-16)33-19-10-6-17(26)7-11-19/h2-13H,14H2,1H3,(H,30,31)
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900 -34.5 4.68E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50013882
PNG
(CHEMBL3265313)
Show SMILES Oc1c(SCc2nnn[nH]2)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12
Show InChI InChI=1S/C18H14BrN5O3S2/c19-11-5-7-12(8-6-11)29(26,27)22-15-9-16(28-10-17-20-23-24-21-17)18(25)14-4-2-1-3-13(14)15/h1-9,22,25H,10H2,(H,20,21,23,24)
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1.01E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50013844
PNG
(CHEMBL3235886)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C21H21NO5S2/c1-13(2)14-7-9-15(10-8-14)29(26,27)22-18-11-19(28-12-20(23)24)21(25)17-6-4-3-5-16(17)18/h3-11,13,22,25H,12H2,1-2H3,(H,23,24)
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1.06E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50013865
PNG
(CHEMBL3265297)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H18ClNO5S2/c25-17-9-5-15(6-10-17)16-7-11-18(12-8-16)33(30,31)26-21-13-22(32-14-23(27)28)24(29)20-4-2-1-3-19(20)21/h1-13,26,29H,14H2,(H,27,28)
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1.11E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged A1-BFL-1 (1 to 151) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluoresce...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50013883
PNG
(CHEMBL3260033)
Show SMILES OC(=O)CCSc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O
Show InChI InChI=1S/C23H19NO5S2/c25-22(26)11-12-30-21-14-20(18-7-3-4-8-19(18)23(21)27)24-31(28,29)17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13-14,24,27H,11-12H2,(H,25,26)
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1.13E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238191
PNG
(US9394303, 17)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(cc(C(O)=O)c12)C#Cc1ccccc1
Show InChI InChI=1S/C29H21N3O3/c1-20-27-26(29(33)34)18-23(15-12-21-8-4-2-5-9-21)30-28(27)32(31-20)19-22-13-16-25(17-14-22)35-24-10-6-3-7-11-24/h2-11,13-14,16-18H,19H2,1H3,(H,33,34)
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1.21E+3 -33.8 6.30E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238195
PNG
(US9394303, 61)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(cc(C(O)=O)c12)-c1cccs1
Show InChI InChI=1S/C25H19N3O3S/c1-16-23-20(25(29)30)14-21(22-8-5-13-32-22)26-24(23)28(27-16)15-17-9-11-19(12-10-17)31-18-6-3-2-4-7-18/h2-14H,15H2,1H3,(H,29,30)
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1.30E+3 -33.6 6.76E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))
BDBM50013865
PNG
(CHEMBL3265297)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H18ClNO5S2/c25-17-9-5-15(6-10-17)16-7-11-18(12-8-16)33(30,31)26-21-13-22(32-14-23(27)28)24(29)20-4-2-1-3-19(20)21/h1-13,26,29H,14H2,(H,27,28)
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1.36E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLW (1 to 155) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238182
PNG
(US9394303, 9)
Show SMILES Cc1nn(Cc2cccc(Oc3ccccc3)c2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C25H19N3O4/c1-16-23-20(25(29)30)14-21(22-11-6-12-31-22)26-24(23)28(27-16)15-17-7-5-10-19(13-17)32-18-8-3-2-4-9-18/h2-14H,15H2,1H3,(H,29,30)
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1.40E+3 -33.4 7.30E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238180
PNG
(US9394303, 7)
Show SMILES Cc1nn(Cc2ccc(cc2)-c2ccccc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C25H19N3O3/c1-16-23-20(25(29)30)14-21(22-8-5-13-31-22)26-24(23)28(27-16)15-17-9-11-19(12-10-17)18-6-3-2-4-7-18/h2-14H,15H2,1H3,(H,29,30)
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1.40E+3 -33.4 7.30E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50028152
PNG
(5-Ethyl-3-(4-hydroxy-5-hydroxymethyl-tetrahydro-fu...)
Show SMILES CCC1=Nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](CO)O2)[C@H](O)CN1 |t:2|
Show InChI InChI=1S/C13H20N4O4/c1-2-10-14-4-8(20)12-13(16-10)17(6-15-12)11-3-7(19)9(5-18)21-11/h6-9,11,18-20H,2-5H2,1H3,(H,14,16)/t7-,8-,9-,11-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of adenosine deaminase in calf intestinal mucosa


J Med Chem 26: 1478-82 (1983)

Checked by Author
BindingDB Entry DOI: 10.7270/Q29Z95GT
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase, decarboxylating


(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
BDBM50148769
PNG
((R)-Phosphoric acid mono-((R)-3-carbamoyl-2,3-dihy...)
Show SMILES NC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO7P/c5-4(8)3(7)2(6)1-12-13(9,10)11/h2-3,6-7H,1H2,(H2,5,8)(H2,9,10,11)/t2-,3-/m1/s1
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1.52E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238194
PNG
(US9394303, 60)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(cc(C(O)=O)c12)-c1ccccc1
Show InChI InChI=1S/C27H21N3O3/c1-18-25-23(27(31)32)16-24(20-8-4-2-5-9-20)28-26(25)30(29-18)17-19-12-14-22(15-13-19)33-21-10-6-3-7-11-21/h2-16H,17H2,1H3,(H,31,32)
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US Patent
1.53E+3 -33.2 7.97E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50013860
PNG
(CHEMBL3265293)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cc3ccccc3s2)c2ccccc2c1O
Show InChI InChI=1S/C20H15NO5S3/c22-18(23)11-27-17-10-15(13-6-2-3-7-14(13)20(17)24)21-29(25,26)19-9-12-5-1-4-8-16(12)28-19/h1-10,21,24H,11H2,(H,22,23)
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1.54E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50013839
PNG
(CHEMBL2030270)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O
Show InChI InChI=1S/C16H13NO5S3/c18-14(19)9-24-13-8-12(10-4-1-2-5-11(10)16(13)20)17-25(21,22)15-6-3-7-23-15/h1-8,17,20H,9H2,(H,18,19)
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1.55E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM52608
PNG
(2-[4-[(4-ethylphenyl)sulfonylamino]-1-hydroxynapht...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C20H19NO5S2/c1-2-13-7-9-14(10-8-13)28(25,26)21-17-11-18(27-12-19(22)23)20(24)16-6-4-3-5-15(16)17/h3-11,21,24H,2,12H2,1H3,(H,22,23)
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1.55E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(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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1.58E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLW (1 to 155) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50013879
PNG
(CHEMBL3265310)
Show SMILES NC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H15BrN2O4S2/c19-11-5-7-12(8-6-11)27(24,25)21-15-9-16(26-10-17(20)22)18(23)14-4-2-1-3-13(14)15/h1-9,21,23H,10H2,(H2,20,22)
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1.71E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))
BDBM50013862
PNG
(CHEMBL3265294)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-22-14-21(19-8-4-5-9-20(19)24(22)28)25-32(29,30)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-14,25,28H,15H2,(H,26,27)
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1.92E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLW (1 to 155) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM238185
PNG
(US9394303, 57)
Show SMILES Cc1nn(Cc2ccc(Oc3cc(C)c(Cl)c(C)c3)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C27H22ClN3O4/c1-15-11-20(12-16(2)25(15)28)35-19-8-6-18(7-9-19)14-31-26-24(17(3)30-31)21(27(32)33)13-22(29-26)23-5-4-10-34-23/h4-13H,14H2,1-3H3,(H,32,33)
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US Patent
1.95E+3 -32.6n/an/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50013864
PNG
(CHEMBL3265296)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-21-14-20(18-11-4-5-12-19(18)24(21)28)25-32(29,30)22-13-7-6-10-17(22)16-8-2-1-3-9-16/h1-14,25,28H,15H2,(H,26,27)
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2.03E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
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