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PubMed code 26713099

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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))
BDBM50148865
PNG
(CHEMBL3769699)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCn3c12
Show InChI InChI=1S/C36H37ClN4O4/c1-21-17-27(18-22(2)32(21)37)45-16-8-13-29-28-11-7-12-30(31-23(3)38-39(5)24(31)4)33(28)41-15-14-40(35(42)34(29)41)20-25-9-6-10-26(19-25)36(43)44/h6-7,9-12,17-19H,8,13-16,20H2,1-5H3,(H,43,44)
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<7n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mcl-1 (residues 172-327) (unknown origin) using FITC-AHx-GQVGRQLAIIGDDINR-NH2 as substrate after 90 mins by fluorescence po...


ACS Med Chem Lett 6: 1171-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00438
BindingDB Entry DOI: 10.7270/Q24M96DB
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50148863
PNG
(CHEMBL3769721)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C36H36Cl2N4O4/c1-20-17-26(18-21(2)32(20)38)46-16-7-11-27-28-12-13-29(37)31(30-22(3)39-40(5)23(30)4)33(28)42-15-8-14-41(35(43)34(27)42)25-10-6-9-24(19-25)36(44)45/h6,9-10,12-13,17-19H,7-8,11,14-16H2,1-5H3,(H,44,45)
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<7n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mcl-1 (residues 172-327) (unknown origin) using FITC-AHx-GQVGRQLAIIGDDINR-NH2 as substrate after 90 mins by fluorescence po...


ACS Med Chem Lett 6: 1171-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00438
BindingDB Entry DOI: 10.7270/Q24M96DB
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50148862
PNG
(CHEMBL3771322)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(ccn1)C(O)=O
Show InChI InChI=1S/C33H34ClN5O4/c1-18-14-24(15-19(2)29(18)34)43-13-7-10-26-25-8-6-9-27(28-20(3)38-39(5)21(28)4)30(25)37-31(26)32(40)36-17-23-16-22(33(41)42)11-12-35-23/h6,8-9,11-12,14-16,37H,7,10,13,17H2,1-5H3,(H,36,40)(H,41,42)
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<7n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mcl-1 (residues 172-327) (unknown origin) using FITC-AHx-GQVGRQLAIIGDDINR-NH2 as substrate after 90 mins by fluorescence po...


ACS Med Chem Lett 6: 1171-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00438
BindingDB Entry DOI: 10.7270/Q24M96DB
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50148864
PNG
(CHEMBL3771122)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(C(O)=O)n(C)c1
Show InChI InChI=1S/C33H36ClN5O4/c1-18-13-23(14-19(2)29(18)34)43-12-8-11-25-24-9-7-10-26(28-20(3)37-39(6)21(28)4)30(24)36-31(25)32(40)35-16-22-15-27(33(41)42)38(5)17-22/h7,9-10,13-15,17,36H,8,11-12,16H2,1-6H3,(H,35,40)(H,41,42)
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24n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mcl-1 (residues 172-327) (unknown origin) using FITC-AHx-GQVGRQLAIIGDDINR-NH2 as substrate after 90 mins by fluorescence po...


ACS Med Chem Lett 6: 1171-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00438
BindingDB Entry DOI: 10.7270/Q24M96DB
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50148863
PNG
(CHEMBL3769721)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C36H36Cl2N4O4/c1-20-17-26(18-21(2)32(20)38)46-16-7-11-27-28-12-13-29(37)31(30-22(3)39-40(5)23(30)4)33(28)42-15-8-14-41(35(43)34(27)42)25-10-6-9-24(19-25)36(44)45/h6,9-10,12-13,17-19H,7-8,11,14-16H2,1-5H3,(H,44,45)
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<50n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mcl-1 (residues 172-327) (unknown origin) using FITC-AHx-EARIAQELRRIGDEFNETYTR-NH2 as substrate after 90 mins by fluorescen...


ACS Med Chem Lett 6: 1171-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00438
BindingDB Entry DOI: 10.7270/Q24M96DB
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50148865
PNG
(CHEMBL3769699)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCn3c12
Show InChI InChI=1S/C36H37ClN4O4/c1-21-17-27(18-22(2)32(21)37)45-16-8-13-29-28-11-7-12-30(31-23(3)38-39(5)24(31)4)33(28)41-15-14-40(35(42)34(29)41)20-25-9-6-10-26(19-25)36(43)44/h6-7,9-12,17-19H,8,13-16,20H2,1-5H3,(H,43,44)
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<50n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mcl-1 (residues 172-327) (unknown origin) using FITC-AHx-EARIAQELRRIGDEFNETYTR-NH2 as substrate after 90 mins by fluorescen...


ACS Med Chem Lett 6: 1171-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00438
BindingDB Entry DOI: 10.7270/Q24M96DB
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50148864
PNG
(CHEMBL3771122)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(C(O)=O)n(C)c1
Show InChI InChI=1S/C33H36ClN5O4/c1-18-13-23(14-19(2)29(18)34)43-12-8-11-25-24-9-7-10-26(28-20(3)37-39(6)21(28)4)30(24)36-31(25)32(40)35-16-22-15-27(33(41)42)38(5)17-22/h7,9-10,13-15,17,36H,8,11-12,16H2,1-6H3,(H,35,40)(H,41,42)
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<50n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mcl-1 (residues 172-327) (unknown origin) using FITC-AHx-EARIAQELRRIGDEFNETYTR-NH2 as substrate after 90 mins by fluorescen...


ACS Med Chem Lett 6: 1171-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00438
BindingDB Entry DOI: 10.7270/Q24M96DB
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50148862
PNG
(CHEMBL3771322)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(ccn1)C(O)=O
Show InChI InChI=1S/C33H34ClN5O4/c1-18-14-24(15-19(2)29(18)34)43-13-7-10-26-25-8-6-9-27(28-20(3)38-39(5)21(28)4)30(25)37-31(26)32(40)36-17-23-16-22(33(41)42)11-12-35-23/h6,8-9,11-12,14-16,37H,7,10,13,17H2,1-5H3,(H,36,40)(H,41,42)
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<50n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mcl-1 (residues 172-327) (unknown origin) using FITC-AHx-EARIAQELRRIGDEFNETYTR-NH2 as substrate after 90 mins by fluorescen...


ACS Med Chem Lett 6: 1171-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00438
BindingDB Entry DOI: 10.7270/Q24M96DB
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50148866
PNG
(CHEMBL3770817)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C33H31Cl2N5O2/c1-18-15-24(16-19(2)30(18)35)42-14-6-7-25-26-12-13-27(34)29(28-20(3)39-40(5)21(28)4)31(26)38-32(25)33(41)37-23-10-8-22(17-36)9-11-23/h8-13,15-16,38H,6-7,14H2,1-5H3,(H,37,41)
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51n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mcl-1 (residues 172-327) (unknown origin) using FITC-AHx-EARIAQELRRIGDEFNETYTR-NH2 as substrate after 90 mins by fluorescen...


ACS Med Chem Lett 6: 1171-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00438
BindingDB Entry DOI: 10.7270/Q24M96DB
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50148867
PNG
(CHEMBL3770783)
Show SMILES Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NC(C)(C)C)cc(C)c1Cl
Show InChI InChI=1S/C24H29ClN2O2/c1-15-13-17(14-16(2)21(15)25)29-12-8-10-19-18-9-6-7-11-20(18)26-22(19)23(28)27-24(3,4)5/h6-7,9,11,13-14,26H,8,10,12H2,1-5H3,(H,27,28)
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1.00E+3n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mcl-1 (residues 172-327) (unknown origin) using FITC-AHx-EARIAQELRRIGDEFNETYTR-NH2 as substrate after 90 mins by fluorescen...


ACS Med Chem Lett 6: 1171-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00438
BindingDB Entry DOI: 10.7270/Q24M96DB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%