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Compile Data Set for Download or QSAR

Found 92 hits with Last Name = 'shapiro' and Initial = 'p'   
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))		BDBM50158355
PNG
(CHEMBL3781822 | US10858316, Compound 3bl)
Show SMILES Cc1cc(Oc2ccc(cc2)N(Cc2ccccc2)S(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc(C)c1Cl
Show InChI InChI=1S/C32H26ClNO6S/c1-20-16-25(17-21(2)30(20)33)40-24-14-12-23(13-15-24)34(19-22-8-4-3-5-9-22)41(38,39)29-18-28(32(36)37)31(35)27-11-7-6-10-26(27)29/h3-18,35H,19H2,1-2H3,(H,36,37)
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 31n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158354
PNG
(CHEMBL3780397)
Show SMILES Cc1cc(Oc2ccc(cc2)N(C2CCCC2)S(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc(C)c1Cl
Show InChI InChI=1S/C30H28ClNO6S/c1-18-15-23(16-19(2)28(18)31)38-22-13-11-21(12-14-22)32(20-7-3-4-8-20)39(36,37)27-17-26(30(34)35)29(33)25-10-6-5-9-24(25)27/h5-6,9-17,20,33H,3-4,7-8H2,1-2H3,(H,34,35)
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 33n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158326
PNG
(CHEMBL3781669 | US10858316, Compound 3bg)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C23H15Cl2NO6S/c24-13-5-10-20(19(25)11-13)32-15-8-6-14(7-9-15)26-33(30,31)21-12-18(23(28)29)22(27)17-4-2-1-3-16(17)21/h1-12,26-27H,(H,28,29)
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 79n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158353
PNG
(CHEMBL3780803 | US10858316, Compound 3bj)
Show SMILES CC(C)CN(c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1)S(=O)(=O)c1cc(C(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C29H28ClNO6S/c1-17(2)16-31(20-9-11-21(12-10-20)37-22-13-18(3)27(30)19(4)14-22)38(35,36)26-15-25(29(33)34)28(32)24-8-6-5-7-23(24)26/h5-15,17,32H,16H2,1-4H3,(H,33,34)
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 80n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158322
PNG
(CHEMBL3780225 | US10858316, Compound 3bd)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2cccc3ccccc23)cc1
Show InChI InChI=1S/C27H19NO6S/c29-26-22-10-4-3-9-21(22)25(16-23(26)27(30)31)35(32,33)28-18-12-14-19(15-13-18)34-24-11-5-7-17-6-1-2-8-20(17)24/h1-16,28-29H,(H,30,31)
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 82n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158324
PNG
(CHEMBL3780311 | US10858316, Compound 3be)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2cccc(Br)c2)cc1
Show InChI InChI=1S/C23H16BrNO6S/c24-14-4-3-5-17(12-14)31-16-10-8-15(9-11-16)25-32(29,30)21-13-20(23(27)28)22(26)19-7-2-1-6-18(19)21/h1-13,25-26H,(H,27,28)
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 114n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158333
PNG
(CHEMBL3780473 | US10858316, Compound 3bi)
Show SMILES Cc1cc(Oc2ccc(NS(=O)(=O)c3cc(C(O)=O)c(O)c4ccccc34)cc2)cc(C)c1Cl
Show InChI InChI=1S/C25H20ClNO6S/c1-14-11-18(12-15(2)23(14)26)33-17-9-7-16(8-10-17)27-34(31,32)22-13-21(25(29)30)24(28)20-6-4-3-5-19(20)22/h3-13,27-28H,1-2H3,(H,29,30)
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 117n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158332
PNG
(CHEMBL3780719 | US10858316, Compound 3bh)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H16ClNO6S/c24-14-5-9-16(10-6-14)31-17-11-7-15(8-12-17)25-32(29,30)21-13-20(23(27)28)22(26)19-4-2-1-3-18(19)21/h1-13,25-26H,(H,27,28)
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 173n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158325
PNG
(CHEMBL3781894 | US10858316, Compound 3bf)
Show SMILES Cc1cc(C)cc(Oc2ccc(NS(=O)(=O)c3cc(C(O)=O)c(O)c4ccccc34)cc2)c1
Show InChI InChI=1S/C25H21NO6S/c1-15-11-16(2)13-19(12-15)32-18-9-7-17(8-10-18)26-33(30,31)23-14-22(25(28)29)24(27)21-6-4-3-5-20(21)23/h3-14,26-27H,1-2H3,(H,28,29)
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 284n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158186
PNG
(CHEMBL3781396 | US10858316, Compound 3bc)
Show SMILES Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C(O)=O)c(O)c4ccccc34)cc2)cc1
Show InChI InChI=1S/C24H19NO6S/c1-15-6-10-17(11-7-15)31-18-12-8-16(9-13-18)25-32(29,30)22-14-21(24(27)28)23(26)20-5-3-2-4-19(20)22/h2-14,25-26H,1H3,(H,27,28)
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 335n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158168
PNG
(CHEMBL3780113 | US10858316, Compound 3o)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Br)cc1Br
Show InChI InChI=1S/C17H11Br2NO5S/c18-9-5-6-14(13(19)7-9)20-26(24,25)15-8-12(17(22)23)16(21)11-4-2-1-3-10(11)15/h1-8,20-21H,(H,22,23)
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 420n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158184
PNG
(CHEMBL3780576 | US10858316, Compound 3ba)
Show SMILES CC(C)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1cc(C(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C24H27NO6S/c1-15(2)14-25(17-9-11-18(12-10-17)31-16(3)4)32(29,30)22-13-21(24(27)28)23(26)20-8-6-5-7-19(20)22/h5-13,15-16,26H,14H2,1-4H3,(H,27,28)
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 487n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158356
PNG
(CHEMBL3781019 | US10858316, Compound 3ca)
Show SMILES CC(C)CN(c1ccc(Br)cc1)S(=O)(=O)c1cc(C(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C21H20BrNO5S/c1-13(2)12-23(15-9-7-14(22)8-10-15)29(27,28)19-11-18(21(25)26)20(24)17-6-4-3-5-16(17)19/h3-11,13,24H,12H2,1-2H3,(H,25,26)
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 566n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158185
PNG
(CHEMBL3781946 | US10858316, Compound 3bb)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H17NO6S/c25-22-19-9-5-4-8-18(19)21(14-20(22)23(26)27)31(28,29)24-15-10-12-17(13-11-15)30-16-6-2-1-3-7-16/h1-14,24-25H,(H,26,27)
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 1.15E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158173
PNG
(CHEMBL3780617 | US10858316, Compound 3t)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H17NO5S/c25-22-19-9-5-4-8-18(19)21(14-20(22)23(26)27)30(28,29)24-17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14,24-25H,(H,26,27)
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 1.54E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158172
PNG
(CHEMBL3780990 | US10858316, Compound 3s)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C23H17NO5S/c25-22-19-12-5-4-11-18(19)21(14-20(22)23(26)27)30(28,29)24-17-10-6-9-16(13-17)15-7-2-1-3-8-15/h1-14,24-25H,(H,26,27)
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 1.88E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158175
PNG
(CHEMBL3780290 | US10858316, Compound 3v)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClNO5S/c18-10-5-7-11(8-6-10)19-25(23,24)15-9-14(17(21)22)16(20)13-4-2-1-3-12(13)15/h1-9,19-20H,(H,21,22)
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 1.91E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158176
PNG
(CHEMBL3781065 | US10858316, Compound 3w)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H12F3NO5S/c19-18(20,21)10-5-7-11(8-6-10)22-28(26,27)15-9-14(17(24)25)16(23)13-4-2-1-3-12(13)15/h1-9,22-23H,(H,24,25)
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 2.50E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158081
PNG
(CHEMBL3781059 | US10858316, Compound 3a)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C17H12BrNO5S/c18-10-5-7-11(8-6-10)19-25(23,24)15-9-14(17(21)22)16(20)13-4-2-1-3-12(13)15/h1-9,19-20H,(H,21,22)
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 2.76E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158096
PNG
(CHEMBL3780988)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C16H17NO5S/c18-15-12-7-3-2-6-11(12)14(10-13(15)16(19)20)23(21,22)17-8-4-1-5-9-17/h2-3,6-7,10,18H,1,4-5,8-9H2,(H,19,20)
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 2.95E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158099
PNG
(CHEMBL3781593)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H22N2O5S/c25-21-18-9-5-4-8-17(18)20(14-19(21)22(26)27)30(28,29)24-12-10-23(11-13-24)15-16-6-2-1-3-7-16/h1-9,14,25H,10-13,15H2,(H,26,27)
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 3.41E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158178
PNG
(CHEMBL3781692 | US10858316, Compound 3y)
Show SMILES CC(C)c1ccc(NS(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc1
Show InChI InChI=1S/C20H19NO5S/c1-12(2)13-7-9-14(10-8-13)21-27(25,26)18-11-17(20(23)24)19(22)16-6-4-3-5-15(16)18/h3-12,21-22H,1-2H3,(H,23,24)
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 3.86E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158174
PNG
(CHEMBL3781823 | US10858316, Compound 3u)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H12F3NO5S/c19-18(20,21)13-7-3-4-8-14(13)22-28(26,27)15-9-12(17(24)25)16(23)11-6-2-1-5-10(11)15/h1-9,22-23H,(H,24,25)
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 4.05E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158182
PNG
(CHEMBL3781264 | US10858316, Compound 3ac)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H12N2O7S/c20-16-13-4-2-1-3-12(13)15(9-14(16)17(21)22)27(25,26)18-10-5-7-11(8-6-10)19(23)24/h1-9,18,20H,(H,21,22)
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 4.49E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158098
PNG
(CHEMBL3780385)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H20N2O5S/c24-20-17-9-5-4-8-16(17)19(14-18(20)21(25)26)29(27,28)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14,24H,10-13H2,(H,25,26)
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 4.54E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158170
PNG
(CHEMBL3781502 | US10858316, Compound 3q)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C21H15NO5S/c23-20-17-8-4-3-7-16(17)19(12-18(20)21(24)25)28(26,27)22-15-10-9-13-5-1-2-6-14(13)11-15/h1-12,22-23H,(H,24,25)
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 4.58E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158090
PNG
(CHEMBL3781868 | US10858316, Compound 3e)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C18H14ClNO5S/c19-12-5-3-4-11(8-12)10-20-26(24,25)16-9-15(18(22)23)17(21)14-7-2-1-6-13(14)16/h1-9,20-21H,10H2,(H,22,23)
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 5.03E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158167
PNG
(CHEMBL3780899 | US10858316, Compound 3n)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C17H12BrNO5S/c18-10-4-3-5-11(8-10)19-25(23,24)15-9-14(17(21)22)16(20)13-7-2-1-6-12(13)15/h1-9,19-20H,(H,21,22)
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 5.64E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158166
PNG
(CHEMBL3781478 | US10858316, Compound 3m)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccccc1Br
Show InChI InChI=1S/C17H12BrNO5S/c18-13-7-3-4-8-14(13)19-25(23,24)15-9-12(17(21)22)16(20)11-6-2-1-5-10(11)15/h1-9,19-20H,(H,21,22)
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 6.84E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158092
PNG
(CHEMBL3780058 | US10858316, Compound 3g)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)NCC1CCCCC1
Show InChI InChI=1S/C18H21NO5S/c20-17-14-9-5-4-8-13(14)16(10-15(17)18(21)22)25(23,24)19-11-12-6-2-1-3-7-12/h4-5,8-10,12,19-20H,1-3,6-7,11H2,(H,21,22)
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 7.31E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158171
PNG
(CHEMBL3780451 | US10858316, Compound 3r)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C23H17NO5S/c25-22-18-12-5-4-11-17(18)21(14-19(22)23(26)27)30(28,29)24-20-13-7-6-10-16(20)15-8-2-1-3-9-15/h1-14,24-25H,(H,26,27)
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 8.50E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158169
PNG
(CHEMBL3780357 | US10858316, Compound 3p)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C21H15NO5S/c23-20-16-10-4-3-9-15(16)19(12-17(20)21(24)25)28(26,27)22-18-11-5-7-13-6-1-2-8-14(13)18/h1-12,22-23H,(H,24,25)
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 1.12E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158179
PNG
(CHEMBL3780070 | US10858316, Compound 3z)
Show SMILES COc1ccc(NS(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc1
Show InChI InChI=1S/C18H15NO6S/c1-25-12-8-6-11(7-9-12)19-26(23,24)16-10-15(18(21)22)17(20)14-5-3-2-4-13(14)16/h2-10,19-20H,1H3,(H,21,22)
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 1.19E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158091
PNG
(CHEMBL3780331 | US10858316, Compound 3f)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO5S/c19-12-7-5-11(6-8-12)10-20-26(24,25)16-9-15(18(22)23)17(21)14-4-2-1-3-13(14)16/h1-9,20-21H,10H2,(H,22,23)
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 2.10E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158181
PNG
(CHEMBL3780766 | US10858316, Compound 3ab)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C18H12N2O5S/c19-10-11-5-7-12(8-6-11)20-26(24,25)16-9-15(18(22)23)17(21)14-4-2-1-3-13(14)16/h1-9,20-21H,(H,22,23)
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 2.22E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158359
PNG
(CHEMBL3779915 | US10858316, Compound 3cd)
Show SMILES COc1c(cc(c2ccccc12)S(=O)(=O)N(CC(C)C)c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C22H22BrNO5S/c1-14(2)13-24(16-10-8-15(23)9-11-16)30(27,28)20-12-19(22(25)26)21(29-3)18-7-5-4-6-17(18)20/h4-12,14H,13H2,1-3H3,(H,25,26)
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 2.34E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158093
PNG
(CHEMBL3780614 | US10858316, Compound 3h)
Show SMILES CN(C)S(=O)(=O)c1cc(C(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C13H13NO5S/c1-14(2)20(18,19)11-7-10(13(16)17)12(15)9-6-4-3-5-8(9)11/h3-7,15H,1-2H3,(H,16,17)
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 2.57E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158183
PNG
(CHEMBL3780382 | US10858316, Compound 3ad)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C18H12N2O5S/c19-10-11-4-3-5-12(8-11)20-26(24,25)16-9-15(18(22)23)17(21)14-7-2-1-6-13(14)16/h1-9,20-21H,(H,22,23)
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 2.69E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158177
PNG
(CHEMBL3780094 | US10858316, Compound 3x)
Show SMILES Cc1ccc(NS(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc1
Show InChI InChI=1S/C18H15NO5S/c1-11-6-8-12(9-7-11)19-25(23,24)16-10-15(18(21)22)17(20)14-5-3-2-4-13(14)16/h2-10,19-20H,1H3,(H,21,22)
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 3.43E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158089
PNG
(CHEMBL3781306 | US10858316, Compound 3d)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C18H14ClNO5S/c19-15-8-4-1-5-11(15)10-20-26(24,25)16-9-14(18(22)23)17(21)13-7-3-2-6-12(13)16/h1-9,20-21H,10H2,(H,22,23)
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 5.03E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158180
PNG
(CHEMBL3780580 | US10858316, Compound 3aa)
Show SMILES CC(C)Oc1ccc(NS(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc1
Show InChI InChI=1S/C20H19NO6S/c1-12(2)27-14-9-7-13(8-10-14)21-28(25,26)18-11-17(20(23)24)19(22)16-6-4-3-5-15(16)18/h3-12,21-22H,1-2H3,(H,23,24)
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 5.40E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158088
PNG
(CHEMBL3780355 | US10858316, Compound 3c)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C18H15NO5S/c20-17-14-9-5-4-8-13(14)16(10-15(17)18(21)22)25(23,24)19-11-12-6-2-1-3-7-12/h1-10,19-20H,11H2,(H,21,22)
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 5.63E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158086
PNG
(CHEMBL1410420 | US10858316, Compound 3b)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C11H9NO5S/c12-18(16,17)9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)(H2,12,16,17)
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 9.90E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158165
PNG
(CHEMBL3780724 | US10858316, Compound 3l)
Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C17H13NO5S/c19-16-13-9-5-4-8-12(13)15(10-14(16)17(20)21)24(22,23)18-11-6-2-1-3-7-11/h1-10,18-19H,(H,20,21)
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 1.06E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158357
PNG
(CHEMBL3780242 | US10858316, Compound 3cb)
Show SMILES COC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)N(CC(C)C)c1ccc(Br)cc1
Show InChI InChI=1S/C22H22BrNO5S/c1-14(2)13-24(16-10-8-15(23)9-11-16)30(27,28)20-12-19(22(26)29-3)21(25)18-7-5-4-6-17(18)20/h4-12,14,25H,13H2,1-3H3
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>5.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50158358
PNG
(CHEMBL3781985 | US10858316, Compound 3cc)
Show SMILES COC(=O)c1cc(c2ccccc2c1OC)S(=O)(=O)N(CC(C)C)c1ccc(Br)cc1
Show InChI InChI=1S/C23H24BrNO5S/c1-15(2)14-25(17-11-9-16(24)10-12-17)31(27,28)21-13-20(23(26)30-4)22(29-3)19-8-6-5-7-18(19)21/h5-13,15H,14H2,1-4H3
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>5.00E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...

Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1 [D319N]


(Mus musculus (mouse))		BDBM176675
PNG
(US9115122, 76.4)
Show SMILES COc1ccc(\C=C2/SC(=S)N(CCN)C2=O)cc1OC
Show InChI InChI=1S/C14H16N2O3S2/c1-18-10-4-3-9(7-11(10)19-2)8-12-13(17)16(6-5-15)14(20)21-12/h3-4,7-8H,5-6,15H2,1-2H3/b12-8-
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n/an/an/a 1.80E+4n/an/an/an/an/a



UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...

US Patent US9115122 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1 [T157A,D319N]


(Mus musculus (mouse))		BDBM176672
PNG
(US9115122, 76)
Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCN)C2=O)cc1
Show InChI InChI=1S/C14H16N2O2S2/c1-2-18-11-5-3-10(4-6-11)9-12-13(17)16(8-7-15)14(19)20-12/h3-6,9H,2,7-8,15H2,1H3/b12-9-
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n/an/an/a 6.40E+3n/an/an/an/an/a



UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...

US Patent US9115122 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1 [T157A,D319N]


(Mus musculus (mouse))		BDBM176673
PNG
(US9115122, 76.2)
Show SMILES NCCN1C(=S)S\C(=C/C=C/c2ccccc2)C1=O
Show InChI InChI=1S/C14H14N2OS2/c15-9-10-16-13(17)12(19-14(16)18)8-4-7-11-5-2-1-3-6-11/h1-8H,9-10,15H2/b7-4+,12-8-
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n/an/an/a 4.00E+3n/an/an/an/an/a



UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...

US Patent US9115122 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1 [T157A,D319N]


(Mus musculus (mouse))		BDBM176674
PNG
(US9115122, 76.3)
Show SMILES NCCN1C(=S)S\C(=C/c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C13H12N2O3S2/c14-3-4-15-12(16)11(20-13(15)19)6-8-1-2-9-10(5-8)18-7-17-9/h1-2,5-6H,3-4,7,14H2/b11-6-
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n/an/an/a>2.00E+4n/an/an/an/an/a



UNIVERSITY OF MARYLAND, BALTIMORE

US Patent


Assay Description
CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...

US Patent US9115122 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JP7
More data for this
Ligand-Target Pair
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