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Compile Data Set for Download or QSAR

Found 184 hits with Last Name = 'georg' and Initial = 'gi'   
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
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50355500
PNG
(CHEMBL1908394 | US9695172, GSK461364)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL




J Med Chem 60: 7863-7875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00996
BindingDB Entry DOI: 10.7270/Q26112G9
More data for this
Ligand-Target Pair
BRD4/HDAC1


(Homo sapiens (Human))
BDBM50239566
PNG
(CHEMBL4103140)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccc(OC)cc1)C3 |c:5|
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100n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
BRD4/HDAC1


(Homo sapiens (Human))
BDBM50239567
PNG
(CHEMBL4085204)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccc(O)cc1)C3 |c:5|
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110n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
BRD4/HDAC1


(Homo sapiens (Human))
BDBM50239568
PNG
(CHEMBL4092949)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccccc1)C3 |c:5|
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140n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
BRD4/HDAC1


(Homo sapiens (Human))
BDBM50239586
PNG
(CHEMBL4072799)
Show SMILES Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2CC(F)(F)F |t:9|
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160n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
BRD4/HDAC1


(Homo sapiens (Human))
BDBM50239565
PNG
(CHEMBL4065286)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(Cc1ccccc1)C3 |c:5|
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190n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239566
PNG
(CHEMBL4103140)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccc(OC)cc1)C3 |c:5|
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200n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239567
PNG
(CHEMBL4085204)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccc(O)cc1)C3 |c:5|
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200n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239568
PNG
(CHEMBL4092949)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccccc1)C3 |c:5|
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220n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239565
PNG
(CHEMBL4065286)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(Cc1ccccc1)C3 |c:5|
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230n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
BRD4/HDAC1


(Homo sapiens (Human))
BDBM50239588
PNG
(CHEMBL4077905)
Show SMILES CCn1c2NC3=C(C(c4ccc(Cl)cc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
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300n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
BRD4/HDAC1


(Homo sapiens (Human))
BDBM50239585
PNG
(CHEMBL4094028)
Show SMILES CCn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
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350n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
BRD4/HDAC1


(Homo sapiens (Human))
BDBM50239562
PNG
(CHEMBL4104179)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
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370n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239562
PNG
(CHEMBL4104179)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
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690n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239586
PNG
(CHEMBL4072799)
Show SMILES Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2CC(F)(F)F |t:9|
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850n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239588
PNG
(CHEMBL4077905)
Show SMILES CCn1c2NC3=C(C(c4ccc(Cl)cc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
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1.10E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
BRD4/HDAC1


(Homo sapiens (Human))
BDBM50239571
PNG
(CHEMBL4088746)
Show SMILES CCCn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:6|
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1.20E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
BRD4/HDAC1


(Homo sapiens (Human))
BDBM50239574
PNG
(CHEMBL4094424)
Show SMILES CCn1c2NC3=C(C(c4ccc(cc4)C(F)(F)F)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
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1.20E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239585
PNG
(CHEMBL4094028)
Show SMILES CCn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
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1.40E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239571
PNG
(CHEMBL4088746)
Show SMILES CCCn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:6|
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2.40E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
BRD4/HDAC1


(Homo sapiens (Human))
BDBM50239577
PNG
(CHEMBL4064204)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(C)C3 |c:5|
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2.50E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239574
PNG
(CHEMBL4094424)
Show SMILES CCn1c2NC3=C(C(c4ccc(cc4)C(F)(F)F)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
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4.70E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Affinity constant of compound was evaluated in human brain


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239577
PNG
(CHEMBL4064204)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(C)C3 |c:5|
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5.60E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
BRD4/HDAC1


(Homo sapiens (Human))
BDBM50239576
PNG
(CHEMBL4093510)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)CC3 |c:5|
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1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory effect on human lymphoblast (Molt/4F) thymidylate synthase


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
BRD4/HDAC1


(Homo sapiens (Human))
BDBM50239564
PNG
(CHEMBL4089152)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CC=C)C3 |c:5|
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1.40E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239576
PNG
(CHEMBL4093510)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)CC3 |c:5|
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2.30E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
BRD4/HDAC1


(Homo sapiens (Human))
BDBM50239587
PNG
(CHEMBL4067951)
Show SMILES CCn1c2nc3COC(=O)c3c(-c3ccc(C)cc3)c2c(=O)[nH]c1=O
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory effect on murine leukemia (L1210) thymidylate synthase


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239572
PNG
(CHEMBL4060512)
Show SMILES Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)n(C)c(=O)n2C |t:9|
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
BRD4/HDAC1


(Homo sapiens (Human))
BDBM50239575
PNG
(CHEMBL4066935)
Show SMILES Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2C1CC1 |t:9|
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239569
PNG
(CHEMBL4086263)
Show SMILES COc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2C |t:10|
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239570
PNG
(CHEMBL4066490)
Show SMILES Cn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:4|
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239578
PNG
(CHEMBL4085767)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)n(C)c1=O)C(=O)OC3 |c:5|
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239575
PNG
(CHEMBL4066935)
Show SMILES Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2C1CC1 |t:9|
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239573
PNG
(CHEMBL4102160)
Show SMILES COc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)n(C)c(=O)n2C |t:10|
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
BRD4/HDAC1


(Homo sapiens (Human))
BDBM50239578
PNG
(CHEMBL4085767)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)n(C)c1=O)C(=O)OC3 |c:5|
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory effect on Lactobacillus casei thymidylate synthase


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239587
PNG
(CHEMBL4067951)
Show SMILES CCn1c2nc3COC(=O)c3c(-c3ccc(C)cc3)c2c(=O)[nH]c1=O
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens (Human))
BDBM50403613
PNG
(CHEMBL175648)
Show SMILES COC(=O)CN1CC(Cc2ccccc2)(NC(=O)c2ccccc2)C1=O
Show InChI InChI=1S/C20H20N2O4/c1-26-17(23)13-22-14-20(19(22)25,12-15-8-4-2-5-9-15)21-18(24)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,21,24)
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3.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of alpha-chymotrypsin serine protease to produce one-half maximal enzyme activity.


Bioorg Med Chem Lett 6: 983-986 (1996)


Article DOI: 10.1016/0960-894X(96)00153-9
BindingDB Entry DOI: 10.7270/Q27H1KSP
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50403613
PNG
(CHEMBL175648)
Show SMILES COC(=O)CN1CC(Cc2ccccc2)(NC(=O)c2ccccc2)C1=O
Show InChI InChI=1S/C20H20N2O4/c1-26-17(23)13-22-14-20(19(22)25,12-15-8-4-2-5-9-15)21-18(24)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,21,24)
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4.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of cathepsin G serine protease to produce one-half maximal enzyme activity.


Bioorg Med Chem Lett 6: 983-986 (1996)


Article DOI: 10.1016/0960-894X(96)00153-9
BindingDB Entry DOI: 10.7270/Q27H1KSP
More data for this
Ligand-Target Pair
Granzyme K


(Homo sapiens (Human))
BDBM50403613
PNG
(CHEMBL175648)
Show SMILES COC(=O)CN1CC(Cc2ccccc2)(NC(=O)c2ccccc2)C1=O
Show InChI InChI=1S/C20H20N2O4/c1-26-17(23)13-22-14-20(19(22)25,12-15-8-4-2-5-9-15)21-18(24)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,21,24)
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>1.20E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of proteinase K serine protease to produce one-half maximal enzyme activity.


Bioorg Med Chem Lett 6: 983-986 (1996)


Article DOI: 10.1016/0960-894X(96)00153-9
BindingDB Entry DOI: 10.7270/Q27H1KSP
More data for this
Ligand-Target Pair
N+/K+ ATPase alpha-4/beta-1


(Rattus norvegicus)
BDBM50255122
PNG
(CHEMBL4059538)
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n/an/a 0.600n/an/an/an/an/an/a



Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States.

Curated by ChEMBL




J Med Chem 61: 1800-1820 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00925
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM25121
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
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n/an/a 0.830n/an/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL




J Med Chem 60: 7863-7875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00996
BindingDB Entry DOI: 10.7270/Q26112G9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Na+/K+ ATPase alpha-2/beta-1


(Rattus norvegicus)
BDBM50255122
PNG
(CHEMBL4059538)
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n/an/a>1n/an/an/an/an/an/a



Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States.

Curated by ChEMBL




J Med Chem 61: 1800-1820 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00925
More data for this
Ligand-Target Pair
Na+/K+ ATPase alpha-3/beta-1


(Rattus norvegicus)
BDBM50255111
PNG
(CHEMBL4092961)
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n/an/a>1n/an/an/an/an/an/a



Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States.

Curated by ChEMBL




J Med Chem 61: 1800-1820 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00925
More data for this
Ligand-Target Pair
Na+/K+ ATPase alpha-1/beta-1


(RAT-Rattus norvegicus)
BDBM50255111
PNG
(CHEMBL4092961)
PDB

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n/an/a>1n/an/an/an/an/an/a



Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States.

Curated by ChEMBL




J Med Chem 61: 1800-1820 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00925
More data for this
Ligand-Target Pair
N+/K+ ATPase alpha-4/beta-1


(Rattus norvegicus)
BDBM50255128
PNG
(CHEMBL4067657)
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n/an/a 1n/an/an/an/an/an/a



Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States.

Curated by ChEMBL




J Med Chem 61: 1800-1820 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00925
More data for this
Ligand-Target Pair
Na+/K+ ATPase alpha-1/beta-1


(RAT-Rattus norvegicus)
BDBM50255109
PNG
(CHEMBL4081196)
PDB

UniProtKB/SwissProt

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n/an/a>1n/an/an/an/an/an/a



Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States.

Curated by ChEMBL




J Med Chem 61: 1800-1820 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00925
More data for this
Ligand-Target Pair
Na+/K+ ATPase alpha-3/beta-1


(Rattus norvegicus)
BDBM50255109
PNG
(CHEMBL4081196)
UniProtKB/SwissProt

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n/an/a>1n/an/an/an/an/an/a



Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States.

Curated by ChEMBL




J Med Chem 61: 1800-1820 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00925
More data for this
Ligand-Target Pair
Na+/K+ ATPase alpha-3/beta-1


(Rattus norvegicus)
BDBM50255122
PNG
(CHEMBL4059538)
UniProtKB/SwissProt

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n/an/a>1n/an/an/an/an/an/a



Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States.

Curated by ChEMBL




J Med Chem 61: 1800-1820 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00925
More data for this
Ligand-Target Pair
Na+/K+ ATPase alpha-1/beta-1


(RAT-Rattus norvegicus)
BDBM50255122
PNG
(CHEMBL4059538)
PDB

UniProtKB/SwissProt

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n/an/a>1n/an/an/an/an/an/a



Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States.

Curated by ChEMBL




J Med Chem 61: 1800-1820 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00925
More data for this
Ligand-Target Pair
N+/K+ ATPase alpha-4/beta-1


(Rattus norvegicus)
BDBM50255111
PNG
(CHEMBL4092961)
UniProtKB/SwissProt

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n/an/a 1.10n/an/an/an/an/an/a



Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States.

Curated by ChEMBL




J Med Chem 61: 1800-1820 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00925
More data for this
Ligand-Target Pair
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