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Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50047579   
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))
BDBM50176902
PNG
(CHEMBL3813974)
Show SMILES Cc1c(\C=N\N2Cc3[nH]c4ccccc4c3N=C2)c(=O)oc2c3CCCN4CCCc(cc12)c34 |c:18|
Show InChI InChI=1S/C27H25N5O2/c1-16-20-12-17-6-4-10-31-11-5-8-19(25(17)31)26(20)34-27(33)21(16)13-29-32-14-23-24(28-15-32)18-7-2-3-9-22(18)30-23/h2-3,7,9,12-13,15,30H,4-6,8,10-11,14H2,1H3/b29-13+
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1.00E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176899
PNG
(CHEMBL3814893)
Show SMILES COc1ccc(C(=O)\C=C\c2cc(Cl)c(O)c(OC)c2)c(OC)c1OC
Show InChI InChI=1S/C19H19ClO6/c1-23-15-8-6-12(18(25-3)19(15)26-4)14(21)7-5-11-9-13(20)17(22)16(10-11)24-2/h5-10,22H,1-4H3/b7-5+
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2.00E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176898
PNG
(CHEMBL3814931)
Show SMILES COc1ccc(C(=O)\C=C\c2cc(F)c(O)c(Cl)c2)c(OC)c1OC
Show InChI InChI=1S/C18H16ClFO5/c1-23-15-7-5-11(17(24-2)18(15)25-3)14(21)6-4-10-8-12(19)16(22)13(20)9-10/h4-9,22H,1-3H3/b6-4+
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3.00E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176900
PNG
(CHEMBL3814532)
Show SMILES [H][C@@]12CO[C@@H](c3ccc4OCOc4c3)[C@@]1([H])CO[C@@H]2c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14+,19-,20+
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7.00E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176897
PNG
(CHEMBL3814421)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1cc(F)c(O)c(Cl)c1
Show InChI InChI=1S/C16H12ClFO3/c1-21-12-5-3-11(4-6-12)15(19)7-2-10-8-13(17)16(20)14(18)9-10/h2-9,20H,1H3/b7-2+
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7.00E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176891
PNG
(CHEMBL3813804)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1cc(Cl)c(O)c(OC)c1
Show InChI InChI=1S/C17H15ClO4/c1-21-13-6-4-12(5-7-13)15(19)8-3-11-9-14(18)17(20)16(10-11)22-2/h3-10,20H,1-2H3/b8-3+
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1.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176901
PNG
(CHEMBL3815029)
Show SMILES [H][C@]12CC[C@@H](OC3(O)C(=O)c4ccccc4C3=O)[C@]1(C)CC[C@@]1([H])[C@]3([H])CCC(=O)C=C3CC[C@]21[H] |r,c:33|
Show InChI InChI=1S/C27H30O5/c1-26-13-12-18-17-9-7-16(28)14-15(17)6-8-19(18)22(26)10-11-23(26)32-27(31)24(29)20-4-2-3-5-21(20)25(27)30/h2-5,14,17-19,22-23,31H,6-13H2,1H3/t17-,18+,19+,22-,23-,26-/m1/s1
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1.20E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176885
PNG
(CHEMBL3814082)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1cccc(F)c1O
Show InChI InChI=1S/C16H13FO3/c1-20-13-8-5-11(6-9-13)15(18)10-7-12-3-2-4-14(17)16(12)19/h2-10,19H,1H3/b10-7+
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2.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176871
PNG
(CHEMBL1456767)
Show SMILES COc1cc(O)c(C(=O)\C=C\c2ccc(O)c(OC)c2)c(OC)c1
Show InChI InChI=1S/C18H18O6/c1-22-12-9-15(21)18(17(10-12)24-3)14(20)7-5-11-4-6-13(19)16(8-11)23-2/h4-10,19,21H,1-3H3/b7-5+
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2.10E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176886
PNG
(CHEMBL3813743)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(O)c(F)c2)c(OC)c1OC
Show InChI InChI=1S/C18H17FO5/c1-22-16-9-6-12(17(23-2)18(16)24-3)14(20)7-4-11-5-8-15(21)13(19)10-11/h4-10,21H,1-3H3/b7-4+
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2.80E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176884
PNG
(CHEMBL3814238)
Show SMILES COc1cc(C(=O)\C=C\c2ccc(O)cc2)c(O)c(OC)c1OC
Show InChI InChI=1S/C18H18O6/c1-22-15-10-13(16(21)18(24-3)17(15)23-2)14(20)9-6-11-4-7-12(19)8-5-11/h4-10,19,21H,1-3H3/b9-6+
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4.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176878
PNG
(CHEMBL3814538)
Show SMILES COc1cc(C(=O)\C=C\c2ccc(cc2)C(F)(F)F)c(O)c(OC)c1OC
Show InChI InChI=1S/C19H17F3O5/c1-25-15-10-13(16(24)18(27-3)17(15)26-2)14(23)9-6-11-4-7-12(8-5-11)19(20,21)22/h4-10,24H,1-3H3/b9-6+
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176879
PNG
(CHEMBL3815059)
Show SMILES COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2O)cc1
Show InChI InChI=1S/C19H20O6/c1-22-13-8-5-12(6-9-13)7-10-15(20)14-11-16(23-2)18(24-3)19(25-4)17(14)21/h5-11,21H,1-4H3/b10-7+
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176880
PNG
(CHEMBL3814699)
Show SMILES COc1cc(O)c(C(=O)\C=C\c2ccccc2[N+]([O-])=O)c(OC)c1OC
Show InChI InChI=1S/C18H17NO7/c1-24-15-10-14(21)16(18(26-3)17(15)25-2)13(20)9-8-11-6-4-5-7-12(11)19(22)23/h4-10,21H,1-3H3/b9-8+
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176881
PNG
(CHEMBL3814853)
Show SMILES COc1cc(O)c(C(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)c(OC)c1OC
Show InChI InChI=1S/C18H17NO7/c1-24-15-10-14(21)16(18(26-3)17(15)25-2)13(20)9-6-11-4-7-12(8-5-11)19(22)23/h4-10,21H,1-3H3/b9-6+
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176882
PNG
(CHEMBL3814890)
Show SMILES COc1cc(O)c(C(=O)\C=C\c2ccc(cc2)C(F)(F)F)c(OC)c1OC
Show InChI InChI=1S/C19H17F3O5/c1-25-15-10-14(24)16(18(27-3)17(15)26-2)13(23)9-6-11-4-7-12(8-5-11)19(20,21)22/h4-10,24H,1-3H3/b9-6+
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176883
PNG
(CHEMBL3814948)
Show SMILES Oc1c(F)cc(\C=C\C(=O)c2ccncc2)cc1Cl
Show InChI InChI=1S/C14H9ClFNO2/c15-11-7-9(8-12(16)14(11)19)1-2-13(18)10-3-5-17-6-4-10/h1-8,19H/b2-1+
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176869
PNG
(CHEMBL1950541)
Show SMILES COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccc(N)cc1
Show InChI InChI=1S/C18H17NO5/c1-21-15-9-14-16(18(23-3)17(15)22-2)12(20)8-13(24-14)10-4-6-11(19)7-5-10/h4-9H,19H2,1-3H3
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176870
PNG
(CHEMBL3814335)
Show SMILES COc1cc(C(=O)\C=C\c2ccc3OCOc3c2)c(O)c(OC)c1OC
Show InChI InChI=1S/C19H18O7/c1-22-16-9-12(17(21)19(24-3)18(16)23-2)13(20)6-4-11-5-7-14-15(8-11)26-10-25-14/h4-9,21H,10H2,1-3H3/b6-4+
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176877
PNG
(CHEMBL3813727)
Show SMILES COc1cc(C(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)c(O)c(OC)c1OC
Show InChI InChI=1S/C18H17NO7/c1-24-15-10-13(16(21)18(26-3)17(15)25-2)14(20)9-6-11-4-7-12(8-5-11)19(22)23/h4-10,21H,1-3H3/b9-6+
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176876
PNG
(CHEMBL337821)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C16H14O3/c1-19-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-11,17H,1H3/b11-4+
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176875
PNG
(CHEMBL3814780)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1ccncc1
Show InChI InChI=1S/C14H11NO2/c16-13-4-2-12(3-5-13)14(17)6-1-11-7-9-15-10-8-11/h1-10,16H/b6-1+
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176874
PNG
(CHEMBL3814168)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(O)cc2)c(O)c1
Show InChI InChI=1S/C16H14O4/c1-20-14-8-4-12(16(19)10-14)5-9-15(18)11-2-6-13(17)7-3-11/h2-10,17,19H,1H3/b9-5+
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50346810
PNG
(CHEMBL268559)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C16H14O3/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11,17H,1H3/b11-4+
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University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176873
PNG
(CHEMBL3815058)
Show SMILES COc1ccc(C(=O)\C=C\c2ccncc2)c(O)c1
Show InChI InChI=1S/C15H13NO3/c1-19-12-3-4-13(15(18)10-12)14(17)5-2-11-6-8-16-9-7-11/h2-10,18H,1H3/b5-2+
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176872
PNG
(CHEMBL3814050)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C17H14O3/c18-15-5-1-12(2-6-15)3-7-16(19)13-4-8-17-14(11-13)9-10-20-17/h1-8,11,18H,9-10H2/b7-3+
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176868
PNG
(CHEMBL3814762)
Show SMILES COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H15F3O5/c1-24-15-9-14-16(18(26-3)17(15)25-2)12(23)8-13(27-14)10-4-6-11(7-5-10)19(20,21)22/h4-9H,1-3H3
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176867
PNG
(CHEMBL3815010)
Show SMILES COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C18H15NO7/c1-23-15-9-14-16(18(25-3)17(15)24-2)12(20)8-13(26-14)10-6-4-5-7-11(10)19(21)22/h4-9H,1-3H3
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176866
PNG
(CHEMBL3813834)
Show SMILES COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccccc1N
Show InChI InChI=1S/C18H17NO5/c1-21-15-9-14-16(18(23-3)17(15)22-2)12(20)8-13(24-14)10-6-4-5-7-11(10)19/h4-9H,19H2,1-3H3
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University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176864
PNG
(CHEMBL3814822)
Show SMILES Oc1c(F)cc(\C=C\C(=O)c2ccc3OCCc3c2)cc1F
Show InChI InChI=1S/C17H12F2O3/c18-13-7-10(8-14(19)17(13)21)1-3-15(20)11-2-4-16-12(9-11)5-6-22-16/h1-4,7-9,21H,5-6H2/b3-1+
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50176865
PNG
(CHEMBL3814171)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc3OCCc3c2)cc1F
Show InChI InChI=1S/C17H13FO3/c18-14-9-11(2-5-16(14)20)1-4-15(19)12-3-6-17-13(10-12)7-8-21-17/h1-6,9-10,20H,7-8H2/b4-1+
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...


J Med Chem 59: 4152-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00150
BindingDB Entry DOI: 10.7270/Q2TX3H9R
More data for this
Ligand-Target Pair