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Compile Data Set for Download or QSAR

Found 211 hits with Last Name = 'gonzalez' and Initial = 'fj'   
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))
BDBM23223
PNG
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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PubMed
190n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555078
PNG
(CHEMBL4786147)
Show SMILES Oc1cc2oc(=O)cc(c2cc1O)C(F)(F)F
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210n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50327653
PNG
(6,7-Dihydroxy-4-phenylcoumarin | CHEMBL1255818)
Show SMILES Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1O
Show InChI InChI=1S/C15H10O4/c16-12-6-11-10(9-4-2-1-3-5-9)7-15(18)19-14(11)8-13(12)17/h1-8,16-17H
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650n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555080
PNG
(CHEMBL4762663)
Show SMILES OCc1cc(=O)oc2cc(O)c(O)cc12
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760n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555079
PNG
(CHEMBL4787755)
Show SMILES Oc1cc2oc(=O)cc(CCl)c2cc1O
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1.04E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078820
PNG
(6,7-Dihydroxy-4-methyl-chromen-2-one | 6,7-dihydro...)
Show SMILES Cc1cc(=O)oc2cc(O)c(O)cc12
Show InChI InChI=1S/C10H8O4/c1-5-2-10(13)14-9-4-8(12)7(11)3-6(5)9/h2-4,11-12H,1H3
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1.19E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555087
PNG
(CHEMBL4740246)
Show SMILES CN(C)Cc1c(O)c(O)cc2c(C)cc(=O)oc12
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1.46E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM34571
PNG
(6,7-bis(oxidanyl)chromen-2-one | 6,7-dihydroxy-1-b...)
Show SMILES Oc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
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1.49E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50206006
PNG
(7,8-Dihydroxy-2H-1-benzopyran-2-one | 7,8-dihydrox...)
Show SMILES Oc1ccc2ccc(=O)oc2c1O
Show InChI InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H
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1.75E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50022184
PNG
(7,8-Dihydroxy-4-methyl-2H-chromen-2-one (3) | 7,8-...)
Show SMILES Cc1cc(=O)oc2c(O)c(O)ccc12
Show InChI InChI=1S/C10H8O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4,11,13H,1H3
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PubMed
2.11E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555090
PNG
(CHEMBL4758291)
Show SMILES COc1cc2cc([N+]([O-])=O)c(=O)oc2c(c1OC)[N+]([O-])=O
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2.19E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555094
PNG
(CHEMBL4780696)
Show SMILES COc1ccc2c(C)cc(=O)oc2c1O
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2.39E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555089
PNG
(CHEMBL4781977)
Show SMILES Cc1cc(=O)oc2c(CN3CCCC3)c(O)c(O)cc12
PDB
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2.54E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555085
PNG
(CHEMBL4783123)
Show SMILES OC1CCN(Cc2c(O)c(O)cc3oc(=O)ccc23)CC1
PDB
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2.77E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555091
PNG
(CHEMBL255531)
Show SMILES Oc1ccc2c(CCl)cc(=O)oc2c1O
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3.19E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50174558
PNG
(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Show SMILES Oc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
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PubMed
3.81E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM12342
PNG
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES O=c1ccc2ccccc2o1
Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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Article
PubMed
4.06E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555083
PNG
(CHEMBL4783003)
Show SMILES CN(C)Cc1c(O)c(O)cc2oc(=O)ccc12
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4.79E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555084
PNG
(CHEMBL4754409)
Show SMILES OC1CCN(Cc2c(O)c(O)cc3ccc(=O)oc23)CC1
PDB
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4.81E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555098
PNG
(CHEMBL2205240)
Show SMILES Cc1cc(=O)oc2cc(O)c(Cl)cc12
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5.26E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555086
PNG
(CHEMBL4747453)
Show SMILES Oc1cc2ccc(=O)oc2c(CN2CCCC2)c1O
PDB
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5.42E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555099
PNG
(CHEMBL4800041)
Show SMILES CCc1cc2c(C)cc(=O)oc2cc1O
PDB
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5.47E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50206215
PNG
(7,8-Dihydroxy-6-methoxy-chromen-2-one | 7,8-dihydr...)
Show SMILES COc1cc2ccc(=O)oc2c(O)c1O
Show InChI InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3
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PubMed
5.51E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555092
PNG
(CHEMBL349179)
Show SMILES OCc1cc(=O)oc2c(O)c(O)ccc12
PDB
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5.67E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555095
PNG
(CHEMBL4747566)
Show SMILES COc1ccc2c(CCl)cc(=O)oc2c1O
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6.59E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555093
PNG
(CHEMBL4779645)
Show SMILES COc1ccc2ccc(=O)oc2c1O
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7.02E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555096
PNG
(CHEMBL4757985)
Show SMILES COc1ccc2c(CO)cc(=O)oc2c1O
PDB
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7.15E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555081
PNG
(CHEMBL4780088)
Show SMILES Oc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1O
PDB
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9.17E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50327652
PNG
(6,7-Dihydroxycoumarinyl-4-acetic | CHEMBL1255817)
Show SMILES OC(=O)Cc1cc(=O)oc2cc(O)c(O)cc12
Show InChI InChI=1S/C11H8O6/c12-7-3-6-5(1-10(14)15)2-11(16)17-9(6)4-8(7)13/h2-4,12-13H,1H2,(H,14,15)
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9.36E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50361374
PNG
(SCOPARONE)
Show SMILES COc1cc2ccc(=O)oc2cc1OC
Show InChI InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
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9.54E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555097
PNG
(CHEMBL259890)
Show SMILES Cc1cc(=O)oc2c(c(O)ccc12)[N+]([O-])=O
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1.08E+4n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555082
PNG
(CHEMBL4777012)
Show SMILES CN(C)Cc1c(O)c(O)cc2ccc(=O)oc12
PDB
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1.16E+4n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50156693
PNG
(6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...)
Show SMILES COc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
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1.35E+4n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50206008
PNG
(6-hydroxy-7-methoxy-2H-chromen-2-one | CHEMBL39032...)
Show SMILES COc1cc2oc(=O)ccc2cc1O
Show InChI InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3
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1.59E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50555088
PNG
(CHEMBL4782257)
Show SMILES Cc1cc(=O)oc2c(CN3CCC(O)CC3)c(O)c(O)cc12
PDB
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2.13E+4n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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2.22E+4n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50327651
PNG
(6-Hydroxycoumarin | 6-hydroxy-2H-chromen-2-one | C...)
Show SMILES Oc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10H
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2.39E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115851
BindingDB Entry DOI: 10.7270/Q2959N7J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548834
PNG
(CHEMBL4786053 | US20230365568, Compound 79)
Show SMILES Fc1ccc2c(c1)c(=O)n(CC1CC1)c1n[nH]c(=S)n21
PDB
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n/an/a 470n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FITC-Ahx-DPPLHSpTAI-NH2 binding to Plk1 PBD (unknown origin) expressed in bacterial expression system measured after 30 mins by fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01669
BindingDB Entry DOI: 10.7270/Q2R49VDZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548886
PNG
(CHEMBL4755597 | US20230365568, Compound 65)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCC(F)(F)F)c1n[nH]c(=S)n21
PDB
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n/an/a 750n/an/an/an/an/an/a


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Assay Description
Inhibition of biotin-Ahx-CETFDPPLHSpTAI-NH2 binding to recombinant human full-length HA-EGFP-tagged Plk1 PBD expressed in HEK293A cells preincubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01669
BindingDB Entry DOI: 10.7270/Q2R49VDZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548834
PNG
(CHEMBL4786053 | US20230365568, Compound 79)
Show SMILES Fc1ccc2c(c1)c(=O)n(CC1CC1)c1n[nH]c(=S)n21
PDB
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n/an/a 770n/an/an/an/an/an/a


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Assay Description
Inhibition of biotin-Ahx-CETFDPPLHSpTAI-NH2 binding to recombinant human full-length HA-EGFP-tagged Plk1 PBD expressed in HEK293A cells preincubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01669
BindingDB Entry DOI: 10.7270/Q2R49VDZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548903
PNG
(CHEMBL4755098 | US20230365568, Compound 83)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCc1ccccn1)c1n[nH]c(=S)n21
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n/an/a 870n/an/an/an/an/an/a


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Assay Description
Inhibition of biotin-Ahx-CETFDPPLHSpTAI-NH2 binding to recombinant human full-length HA-EGFP-tagged Plk1 PBD expressed in HEK293A cells preincubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01669
BindingDB Entry DOI: 10.7270/Q2R49VDZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548905
PNG
(CHEMBL4755584 | US20230365568, Compound 85)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCc1ccncc1)c1n[nH]c(=S)n21
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n/an/a 890n/an/an/an/an/an/a


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Assay Description
Inhibition of biotin-Ahx-CETFDPPLHSpTAI-NH2 binding to recombinant human full-length HA-EGFP-tagged Plk1 PBD expressed in HEK293A cells preincubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01669
BindingDB Entry DOI: 10.7270/Q2R49VDZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548949
PNG
(CHEMBL4782750 | US20230365568, Compound 129)
Show SMILES COc1cccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)c1
PDB
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n/an/a 960n/an/an/an/an/an/a


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Assay Description
Inhibition of biotin-Ahx-CETFDPPLHSpTAI-NH2 binding to recombinant human full-length HA-EGFP-tagged Plk1 PBD expressed in HEK293A cells preincubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01669
BindingDB Entry DOI: 10.7270/Q2R49VDZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548954
PNG
(CHEMBL4779347 | US20230365568, Compound 134)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1ccc(cc1)C#N)c1n[nH]c(=S)n21
PDB
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n/an/a 990n/an/an/an/an/an/a


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Assay Description
Inhibition of biotin-Ahx-CETFDPPLHSpTAI-NH2 binding to recombinant human full-length HA-EGFP-tagged Plk1 PBD expressed in HEK293A cells preincubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01669
BindingDB Entry DOI: 10.7270/Q2R49VDZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548842
PNG
(CHEMBL1396239)
Show SMILES CCCn1c2nnc(S)n2c2ccccc2c1=O
PDB
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n/an/a 1.03E+3n/an/an/an/an/an/a


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Assay Description
Inhibition of biotin-Ahx-CETFDPPLHSpTAI-NH2 binding to recombinant human full-length HA-EGFP-tagged Plk1 PBD expressed in HEK293A cells preincubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01669
BindingDB Entry DOI: 10.7270/Q2R49VDZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548844
PNG
(CHEMBL1310492)
Show SMILES CCCCn1c2nnc(S)n2c2ccccc2c1=O
PDB
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n/an/a 1.03E+3n/an/an/an/an/an/a


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Assay Description
Inhibition of biotin-Ahx-CETFDPPLHSpTAI-NH2 binding to recombinant human full-length HA-EGFP-tagged Plk1 PBD expressed in HEK293A cells preincubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01669
BindingDB Entry DOI: 10.7270/Q2R49VDZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548950
PNG
(CHEMBL4745902 | US20230365568, Compound 130)
Show SMILES COc1ccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)cc1
PDB
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n/an/a 1.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-Ahx-CETFDPPLHSpTAI-NH2 binding to recombinant human full-length HA-EGFP-tagged Plk1 PBD expressed in HEK293A cells preincubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01669
BindingDB Entry DOI: 10.7270/Q2R49VDZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548904
PNG
(CHEMBL4789412 | US20230365568, Compound 84)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCc1cccnc1)c1n[nH]c(=S)n21
PDB
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n/an/a 1.07E+3n/an/an/an/an/an/a


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Assay Description
Inhibition of biotin-Ahx-CETFDPPLHSpTAI-NH2 binding to recombinant human full-length HA-EGFP-tagged Plk1 PBD expressed in HEK293A cells preincubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01669
BindingDB Entry DOI: 10.7270/Q2R49VDZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548944
PNG
(CHEMBL4754571 | US20230365568, Compound 124)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1cccc(Cl)c1)c1n[nH]c(=S)n21
PDB
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n/an/a 1.15E+3n/an/an/an/an/an/a


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Assay Description
Inhibition of biotin-Ahx-CETFDPPLHSpTAI-NH2 binding to recombinant human full-length HA-EGFP-tagged Plk1 PBD expressed in HEK293A cells preincubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01669
BindingDB Entry DOI: 10.7270/Q2R49VDZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548948
PNG
(CHEMBL4781698 | US20230365568, Compound 128)
Show SMILES COc1ccccc1CC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.15E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-Ahx-CETFDPPLHSpTAI-NH2 binding to recombinant human full-length HA-EGFP-tagged Plk1 PBD expressed in HEK293A cells preincubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01669
BindingDB Entry DOI: 10.7270/Q2R49VDZ
More data for this
Ligand-Target Pair
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