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Compile Data Set for Download or QSAR

Found 795 hits with Last Name = 'garcia-barrantes' and Initial = 'pm'   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424732
PNG
(CHEMBL2314209)
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)
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 55n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424750
PNG
(CHEMBL2314502)
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)
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 66n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424731
PNG
(CHEMBL2314210)
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)
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 75n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424725
PNG
(CHEMBL2314177 | US10093640, Example 5 | US10844032...)
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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 120n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424749
PNG
(CHEMBL2314171 | US11760752, Compound Fesik Indole)
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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 140n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424752
PNG
(CHEMBL2314206)
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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 160n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424730
PNG
(CHEMBL2314503)
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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 180n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424733
PNG
(CHEMBL2314208)
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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 190n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424726
PNG
(CHEMBL2314176 | US10093640, Example 6 | US10844032...)
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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 250n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424729
PNG
(CHEMBL2314504)
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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 260n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424728
PNG
(CHEMBL2314172)
Show SMILES OC(=O)c1c(CCCOc2cccc3ccccc23)c2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C29H25NO3/c31-29(32)28-25(16-9-19-33-27-18-8-13-22-12-4-5-14-23(22)27)24-15-6-7-17-26(24)30(28)20-21-10-2-1-3-11-21/h1-8,10-15,17-18H,9,16,19-20H2,(H,31,32)
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 290n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424757
PNG
(CHEMBL2314201)
Show SMILES OC(=O)c1[nH]c2ccccc2c1CCCOc1cccc2CCCCc12
Show InChI InChI=1S/C22H23NO3/c24-22(25)21-18(17-10-3-4-12-19(17)23-21)11-6-14-26-20-13-5-8-15-7-1-2-9-16(15)20/h3-5,8,10,12-13,23H,1-2,6-7,9,11,14H2,(H,24,25)
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 300n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424735
PNG
(CHEMBL2314193)
Show SMILES Cc1cc(OCCCc2c([nH]c3ccccc23)C(O)=O)cc(C)c1Cl
Show InChI InChI=1S/C20H20ClNO3/c1-12-10-14(11-13(2)18(12)21)25-9-5-7-16-15-6-3-4-8-17(15)22-19(16)20(23)24/h3-4,6,8,10-11,22H,5,7,9H2,1-2H3,(H,23,24)
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 300n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424727
PNG
(CHEMBL2314173 | US10093640, Example 2 | US10844032...)
Show SMILES Cc1cc(OCCCc2c(sc3ccccc23)C(O)=O)cc(C)c1Cl
Show InChI InChI=1S/C20H19ClO3S/c1-12-10-14(11-13(2)18(12)21)24-9-5-7-16-15-6-3-4-8-17(15)25-19(16)20(22)23/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,22,23)
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 320n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424734
PNG
(CHEMBL2314198)
Show SMILES OC(=O)c1[nH]c2ccccc2c1CCCOc1cccc2ccccc12
Show InChI InChI=1S/C22H19NO3/c24-22(25)21-18(17-10-3-4-12-19(17)23-21)11-6-14-26-20-13-5-8-15-7-1-2-9-16(15)20/h1-5,7-10,12-13,23H,6,11,14H2,(H,24,25)
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 330n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424738
PNG
(CHEMBL2314516 | US10093640, Example 1 | US10844032...)
Show SMILES OC(=O)c1sc2ccccc2c1CCCOc1cccc2ccccc12
Show InChI InChI=1S/C22H18O3S/c23-22(24)21-18(17-10-3-4-13-20(17)26-21)11-6-14-25-19-12-5-8-15-7-1-2-9-16(15)19/h1-5,7-10,12-13H,6,11,14H2,(H,23,24)
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 370n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424736
PNG
(CHEMBL2314191)
Show SMILES Cc1cc(OCCCc2c([nH]c3ccccc23)C(O)=O)ccc1Cl
Show InChI InChI=1S/C19H18ClNO3/c1-12-11-13(8-9-16(12)20)24-10-4-6-15-14-5-2-3-7-17(14)21-18(15)19(22)23/h2-3,5,7-9,11,21H,4,6,10H2,1H3,(H,22,23)
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 380n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424741
PNG
(CHEMBL2314183)
Show SMILES Cc1cc(OCCCn2c(cc3ccccc23)C(O)=O)cc(C)c1Cl
Show InChI InChI=1S/C20H20ClNO3/c1-13-10-16(11-14(2)19(13)21)25-9-5-8-22-17-7-4-3-6-15(17)12-18(22)20(23)24/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,23,24)
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 410n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424740
PNG
(CHEMBL2314184)
Show SMILES OC(=O)c1cc2ccccc2n1CCCOc1cccc2ccccc12
Show InChI InChI=1S/C22H19NO3/c24-22(25)20-15-17-8-2-4-11-19(17)23(20)13-6-14-26-21-12-5-9-16-7-1-3-10-18(16)21/h1-5,7-12,15H,6,13-14H2,(H,24,25)
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 470n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424758
PNG
(CHEMBL2314200)
Show SMILES OC(=O)c1[nH]c2ccccc2c1CCCOc1ccc(Cl)c2ccccc12
Show InChI InChI=1S/C22H18ClNO3/c23-18-11-12-20(16-8-2-1-6-14(16)18)27-13-5-9-17-15-7-3-4-10-19(15)24-21(17)22(25)26/h1-4,6-8,10-12,24H,5,9,13H2,(H,25,26)
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 480n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424751
PNG
(CHEMBL2314207)
Show SMILES OC(=O)c1[nH]c2cccc(Cl)c2c1CCCOc1cccc2ccccc12
Show InChI InChI=1S/C22H18ClNO3/c23-17-10-4-11-18-20(17)16(21(24-18)22(25)26)9-5-13-27-19-12-3-7-14-6-1-2-8-15(14)19/h1-4,6-8,10-12,24H,5,9,13H2,(H,25,26)
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 700n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424745
PNG
(CHEMBL2314179 | US10093640, Example 7 | US10844032...)
Show SMILES OC(=O)c1sc2c(Cl)cccc2c1CCCOc1cccc2ccccc12
Show InChI InChI=1S/C22H17ClO3S/c23-18-11-4-9-16-17(21(22(24)25)27-20(16)18)10-5-13-26-19-12-3-7-14-6-1-2-8-15(14)19/h1-4,6-9,11-12H,5,10,13H2,(H,24,25)
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 720n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424746
PNG
(CHEMBL2314178 | US10093640, Example 8 | US10844032...)
Show SMILES Cc1cc(OCCCc2c(sc3c(Cl)cccc23)C(O)=O)cc(C)c1Cl
Show InChI InChI=1S/C20H18Cl2O3S/c1-11-9-13(10-12(2)17(11)22)25-8-4-6-15-14-5-3-7-16(21)18(14)26-19(15)20(23)24/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,23,24)
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 750n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50424726
PNG
(CHEMBL2314176 | US10093640, Example 6 | US10844032...)
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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 800n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl2 (unknown origin) after 1 hr by fluorescence polarization anisotropy assay

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424753
PNG
(CHEMBL2314205)
Show SMILES Cc1cc(OCCCc2c([nH]c3cccc(Cl)c23)C(O)=O)ccc1Cl
Show InChI InChI=1S/C19H17Cl2NO3/c1-11-10-12(7-8-14(11)20)25-9-3-4-13-17-15(21)5-2-6-16(17)22-18(13)19(23)24/h2,5-8,10,22H,3-4,9H2,1H3,(H,23,24)
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 810n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50424732
PNG
(CHEMBL2314209)
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)
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 870n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl2 (unknown origin) after 1 hr by fluorescence polarization anisotropy assay

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50424731
PNG
(CHEMBL2314210)
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)
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 960n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl2 (unknown origin) after 1 hr by fluorescence polarization anisotropy assay

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50424725
PNG
(CHEMBL2314177 | US10093640, Example 5 | US10844032...)
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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 960n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl2 (unknown origin) after 1 hr by fluorescence polarization anisotropy assay

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424737
PNG
(CHEMBL2314519 | US10093640, Example 21 | US1084403...)
Show SMILES OC(=O)c1oc2ccccc2c1CCCOc1cccc2ccccc12
Show InChI InChI=1S/C22H18O4/c23-22(24)21-18(17-10-3-4-12-20(17)26-21)11-6-14-25-19-13-5-8-15-7-1-2-9-16(15)19/h1-5,7-10,12-13H,6,11,14H2,(H,23,24)
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 1.00E+3n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424764
PNG
(CHEMBL2314192)
Show SMILES CCc1cc(OCCCc2c([nH]c3ccccc23)C(O)=O)ccc1Cl
Show InChI InChI=1S/C20H20ClNO3/c1-2-13-12-14(9-10-17(13)21)25-11-5-7-16-15-6-3-4-8-18(15)22-19(16)20(23)24/h3-4,6,8-10,12,22H,2,5,7,11H2,1H3,(H,23,24)
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 1.10E+3n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424742
PNG
(CHEMBL2314182)
Show SMILES Cc1cc(OCCCn2c(cc3ccccc23)C(O)=O)ccc1Cl
Show InChI InChI=1S/C19H18ClNO3/c1-13-11-15(7-8-16(13)20)24-10-4-9-21-17-6-3-2-5-14(17)12-18(21)19(22)23/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,22,23)
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 1.20E+3n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424748
PNG
(CHEMBL2314174 | US10093640, Example 4 | US10844032...)
Show SMILES Cc1cc(OCCCc2c(sc3cccc(Cl)c23)C(O)=O)cc(C)c1Cl
Show InChI InChI=1S/C20H18Cl2O3S/c1-11-9-13(10-12(2)18(11)22)25-8-4-5-14-17-15(21)6-3-7-16(17)26-19(14)20(23)24/h3,6-7,9-10H,4-5,8H2,1-2H3,(H,23,24)
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 1.30E+3n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50424733
PNG
(CHEMBL2314208)
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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 1.40E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl2 (unknown origin) after 1 hr by fluorescence polarization anisotropy assay

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424747
PNG
(CHEMBL2314175 | US10093640, Example 3 | US10844032...)
Show SMILES OC(=O)c1sc2cccc(Cl)c2c1CCCOc1cccc2ccccc12
Show InChI InChI=1S/C22H17ClO3S/c23-17-10-4-12-19-20(17)16(21(27-19)22(24)25)9-5-13-26-18-11-3-7-14-6-1-2-8-15(14)18/h1-4,6-8,10-12H,5,9,13H2,(H,24,25)
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 1.60E+3n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424768
PNG
(CHEMBL2314187)
Show SMILES OC(=O)c1[nH]c2ccccc2c1CCCOc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H16F3NO3/c20-19(21,22)12-5-3-6-13(11-12)26-10-4-8-15-14-7-1-2-9-16(14)23-17(15)18(24)25/h1-3,5-7,9,11,23H,4,8,10H2,(H,24,25)
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 1.70E+3n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424769
PNG
(CHEMBL2314186)
Show SMILES Cc1cccc(OCCCc2c([nH]c3ccccc23)C(O)=O)c1
Show InChI InChI=1S/C19H19NO3/c1-13-6-4-7-14(12-13)23-11-5-9-16-15-8-2-3-10-17(15)20-18(16)19(21)22/h2-4,6-8,10,12,20H,5,9,11H2,1H3,(H,21,22)
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 1.90E+3n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424743
PNG
(CHEMBL2314181)
Show SMILES OC(=O)c1oc2ccc(Cl)cc2c1CCCOc1cccc2ccccc12
Show InChI InChI=1S/C22H17ClO4/c23-15-10-11-20-18(13-15)17(21(27-20)22(24)25)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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 2.50E+3n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50424734
PNG
(CHEMBL2314198)
Show SMILES OC(=O)c1[nH]c2ccccc2c1CCCOc1cccc2ccccc12
Show InChI InChI=1S/C22H19NO3/c24-22(25)21-18(17-10-3-4-12-19(17)23-21)11-6-14-26-20-13-5-8-15-7-1-2-9-16(15)20/h1-5,7-10,12-13,23H,6,11,14H2,(H,24,25)
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 2.70E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl2 (unknown origin) after 1 hr by fluorescence polarization anisotropy assay

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424756
PNG
(CHEMBL2314202)
Show SMILES OC(=O)c1[nH]c2ccccc2c1CCCOc1ccc2CCCc2c1
Show InChI InChI=1S/C21H21NO3/c23-21(24)20-18(17-7-1-2-9-19(17)22-20)8-4-12-25-16-11-10-14-5-3-6-15(14)13-16/h1-2,7,9-11,13,22H,3-6,8,12H2,(H,23,24)
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 2.90E+3n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424744
PNG
(CHEMBL2314180 | US10093640, Example 26 | US1084403...)
Show SMILES Cc1cc(OCCCc2c(oc3ccccc23)C(O)=O)cc(C)c1Cl
Show InChI InChI=1S/C20H19ClO4/c1-12-10-14(11-13(2)18(12)21)24-9-5-7-16-15-6-3-4-8-17(15)25-19(16)20(22)23/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,22,23)
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 3.00E+3n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50424726
PNG
(CHEMBL2314176 | US10093640, Example 6 | US10844032...)
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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 4.10E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl-xL (unknown origin) after 1 hr by fluorescence polarization anisotropy assay

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50424737
PNG
(CHEMBL2314519 | US10093640, Example 21 | US1084403...)
Show SMILES OC(=O)c1oc2ccccc2c1CCCOc1cccc2ccccc12
Show InChI InChI=1S/C22H18O4/c23-22(24)21-18(17-10-3-4-12-20(17)26-21)11-6-14-25-19-13-5-8-15-7-1-2-9-16(15)19/h1-5,7-10,12-13H,6,11,14H2,(H,23,24)
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 4.30E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl2 (unknown origin) after 1 hr by fluorescence polarization anisotropy assay

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424761
PNG
(CHEMBL2314196)
Show SMILES OC(=O)c1[nH]c2ccccc2c1CCCOc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C24H21NO4/c26-24(27)23-21(20-12-4-5-14-22(20)25-23)13-7-15-28-18-10-6-11-19(16-18)29-17-8-2-1-3-9-17/h1-6,8-12,14,16,25H,7,13,15H2,(H,26,27)
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 5.20E+3n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50424727
PNG
(CHEMBL2314173 | US10093640, Example 2 | US10844032...)
Show SMILES Cc1cc(OCCCc2c(sc3ccccc23)C(O)=O)cc(C)c1Cl
Show InChI InChI=1S/C20H19ClO3S/c1-12-10-14(11-13(2)18(12)21)24-9-5-7-16-15-6-3-4-8-17(15)25-19(16)20(22)23/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,22,23)
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 5.30E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl2 (unknown origin) after 1 hr by fluorescence polarization anisotropy assay

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50424735
PNG
(CHEMBL2314193)
Show SMILES Cc1cc(OCCCc2c([nH]c3ccccc23)C(O)=O)cc(C)c1Cl
Show InChI InChI=1S/C20H20ClNO3/c1-12-10-14(11-13(2)18(12)21)25-9-5-7-16-15-6-3-4-8-17(15)22-19(16)20(23)24/h3-4,6,8,10-11,22H,5,7,9H2,1-2H3,(H,23,24)
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 5.30E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl2 (unknown origin) after 1 hr by fluorescence polarization anisotropy assay

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424760
PNG
(CHEMBL2314197)
Show SMILES OC(=O)c1[nH]c2ccccc2c1CCCOc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H21NO4/c26-24(27)23-21(20-9-4-5-11-22(20)25-23)10-6-16-28-17-12-14-19(15-13-17)29-18-7-2-1-3-8-18/h1-5,7-9,11-15,25H,6,10,16H2,(H,26,27)
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 6.40E+3n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50424725
PNG
(CHEMBL2314177 | US10093640, Example 5 | US10844032...)
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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 6.80E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl-xL (unknown origin) after 1 hr by fluorescence polarization anisotropy assay

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50424731
PNG
(CHEMBL2314210)
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)
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 6.80E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl-xL (unknown origin) after 1 hr by fluorescence polarization anisotropy assay

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50424730
PNG
(CHEMBL2314503)
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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 7.40E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl2 (unknown origin) after 1 hr by fluorescence polarization anisotropy assay

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50424759
PNG
(CHEMBL2314199)
Show SMILES OC(=O)c1[nH]c2ccccc2c1CCCOc1ccc2ccccc2c1
Show InChI InChI=1S/C22H19NO3/c24-22(25)21-19(18-8-3-4-10-20(18)23-21)9-5-13-26-17-12-11-15-6-1-2-7-16(15)14-17/h1-4,6-8,10-12,14,23H,5,9,13H2,(H,24,25)
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 7.50E+3n/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...

J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
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