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Compile Data Set for Download or QSAR

Found 973 hits with Last Name = 'la pietra' and Initial = 'v'   
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
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50294132
PNG
(CHEMBL561963 | N-hydroxy-2-(N-isopropoxy-4'-isopro...)
Show SMILES CC(C)ON(C(C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C23H32N2O5S/c1-15(2)18-7-9-19(10-8-18)20-11-13-21(14-12-20)31(28,29)25(30-17(5)6)22(16(3)4)23(26)24-27/h7-17,22,27H,1-6H3,(H,24,26)
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 1n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2

J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50294132
PNG
(CHEMBL561963 | N-hydroxy-2-(N-isopropoxy-4'-isopro...)
Show SMILES CC(C)ON(C(C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C23H32N2O5S/c1-15(2)18-7-9-19(10-8-18)20-11-13-21(14-12-20)31(28,29)25(30-17(5)6)22(16(3)4)23(26)24-27/h7-17,22,27H,1-6H3,(H,24,26)
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 1.5n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP13-mediated collagen degradation by SDS-PAGE

J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50180870
PNG
(CHEMBL179861)
Show SMILES CCC(C)NC(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C20H19ClN2O/c1-3-13(2)22-20(24)18-12-14-8-4-5-9-15(14)19(23-18)16-10-6-7-11-17(16)21/h4-13H,3H2,1-2H3,(H,22,24)
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 3.60n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membrane after 90 mins by liquid scintillation counting method

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50294122
PNG
(CHEMBL560837 | N-Hydroxy-2-(N-isopropoxy-4'-methox...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C18H22N2O6S/c1-13(2)26-20(12-18(21)19-22)27(23,24)17-10-6-15(7-11-17)14-4-8-16(25-3)9-5-14/h4-11,13,22H,12H2,1-3H3,(H,19,21)
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 3.80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2

J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50161331
PNG
(2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-hydro...)
Show SMILES CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H20N2O5S/c1-13(2)24-19(12-17(20)18-21)25(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H,18,20)
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 13n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2

J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50294124
PNG
(2-(4'-(4-Chlorobenzyloxy)-N-isopropoxybiphenyl-4-y...)
Show SMILES CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H25ClN2O6S/c1-17(2)33-27(15-24(28)26-29)34(30,31)23-13-7-20(8-14-23)19-5-11-22(12-6-19)32-16-18-3-9-21(25)10-4-18/h3-14,17,29H,15-16H2,1-2H3,(H,26,28)
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 25n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2

J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50294131
PNG
((R)-2-(4'-(4-Chlorobenzyloxy)-N-isopropoxybiphenyl...)
Show SMILES CC(C)ON([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C27H31ClN2O6S/c1-18(2)26(27(31)29-32)30(36-19(3)4)37(33,34)25-15-9-22(10-16-25)21-7-13-24(14-8-21)35-17-20-5-11-23(28)12-6-20/h5-16,18-19,26,32H,17H2,1-4H3,(H,29,31)/t26-/m1/s1
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 29n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP13-mediated collagen degradation by SDS-PAGE

J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50429815
PNG
(CHEMBL2337698)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1
Show InChI InChI=1S/C15H14ClFN2O5S/c16-14-7-11(17)2-1-10(14)9-24-12-3-5-13(6-4-12)25(22,23)18-8-15(20)19-21/h1-7,18,21H,8-9H2,(H,19,20)
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 77n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS5 using bovine nasal cartilage aggrecan as substrate assessed as inhibition of 1772-AGEG neopeptide formation i...

Eur J Med Chem 62: 379-94 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.058
BindingDB Entry DOI: 10.7270/Q20C4X4W
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50180868
PNG
(CHEMBL3818299)
Show SMILES CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1 |r|
Show InChI InChI=1S/C32H34N4O4/c1-20(2)18-25(30(38)33-3)35-31(39)26(19-21-12-6-4-7-13-21)36-32(40)29(37)27-23-16-10-11-17-24(23)34-28(27)22-14-8-5-9-15-22/h4-17,20,25-26,34H,18-19H2,1-3H3,(H,33,38)(H,35,39)(H,36,40)/t25-,26-/m0/s1
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 87n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membrane after 90 mins by liquid scintillation counting method

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50180867
PNG
(CHEMBL3818586)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1)C(C)C |r|
Show InChI InChI=1S/C28H33N3O5/c1-16(2)15-21(28(35)36-5)30-26(33)23(17(3)4)31-27(34)25(32)22-19-13-9-10-14-20(19)29-24(22)18-11-7-6-8-12-18/h6-14,16-17,21,23,29H,15H2,1-5H3,(H,30,33)(H,31,34)/t21-,23-/m0/s1
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 365n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membrane after 90 mins by liquid scintillation counting method

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50180862
PNG
(CHEMBL3819416)
Show SMILES CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1 |r|
Show InChI InChI=1S/C33H35N3O5/c1-4-41-33(40)27(20-22-13-7-5-8-14-22)36-31(38)26(19-21(2)3)35-32(39)30(37)28-24-17-11-12-18-25(24)34-29(28)23-15-9-6-10-16-23/h5-18,21,26-27,34H,4,19-20H2,1-3H3,(H,35,39)(H,36,38)/t26-,27-/m0/s1
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 430n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membrane after 90 mins by liquid scintillation counting method

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50180869
PNG
(CHEMBL3819001)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1)C(=O)NC |r|
Show InChI InChI=1S/C32H34N4O4/c1-4-20(2)27(31(39)33-3)36-30(38)25(19-21-13-7-5-8-14-21)35-32(40)29(37)26-23-17-11-12-18-24(23)34-28(26)22-15-9-6-10-16-22/h5-18,20,25,27,34H,4,19H2,1-3H3,(H,33,39)(H,35,40)(H,36,38)/t20-,25-,27-/m0/s1
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 504n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membrane after 90 mins by liquid scintillation counting method

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50180863
PNG
(CHEMBL3819071)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1)C(C)C)C(=O)OC |r|
Show InChI InChI=1S/C28H33N3O5/c1-6-17(4)23(28(35)36-5)31-26(33)22(16(2)3)30-27(34)25(32)21-19-14-10-11-15-20(19)29-24(21)18-12-8-7-9-13-18/h7-17,22-23,29H,6H2,1-5H3,(H,30,34)(H,31,33)/t17-,22-,23-/m0/s1
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 783n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membrane after 90 mins by liquid scintillation counting method

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))		BDBM50078022
PNG
(CHEMBL3417402)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccc(cc1)N(C)C |c:14|
Show InChI InChI=1S/C26H27N5O3/c1-5-34-24-9-7-6-8-23(24)27-28-25-17(2)29-31(26(25)33)21-14-19(15-22(32)16-21)18-10-12-20(13-11-18)30(3)4/h6-16,27,32H,5H2,1-4H3/b28-25-
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 800n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50175548
PNG
(CHEMBL198778 | N-Hydroxy-2-(4-phenoxy-benzenesulfo...)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O5S/c17-14(16-18)10-15-22(19,20)13-8-6-12(7-9-13)21-11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,16,17)
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 840n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS5 using bovine nasal cartilage aggrecan as substrate assessed as inhibition of 1772-AGEG neopeptide formation i...

Eur J Med Chem 62: 379-94 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.058
BindingDB Entry DOI: 10.7270/Q20C4X4W
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))		BDBM50078029
PNG
(CHEMBL3417409)
Show SMILES CN(C)c1ccc(cc1)-c1cc(O)cc(c1)N1N=C(C)\C(=N\Nc2ccc3ccccc3c2)C1=O |t:19|
Show InChI InChI=1S/C28H25N5O2/c1-18-27(30-29-23-11-8-19-6-4-5-7-21(19)14-23)28(35)33(31-18)25-15-22(16-26(34)17-25)20-9-12-24(13-10-20)32(2)3/h4-17,29,34H,1-3H3/b30-27-
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 1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50180865
PNG
(CHEMBL3818951)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)OC |r|
Show InChI InChI=1S/C29H35N3O5/c1-6-17(3)23(27(34)32-24(18(4)7-2)29(36)37-5)31-28(35)26(33)22-20-15-11-12-16-21(20)30-25(22)19-13-9-8-10-14-19/h8-18,23-24,30H,6-7H2,1-5H3,(H,31,35)(H,32,34)/t17-,18-,23-,24-/m0/s1
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 1.00E+3n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membrane after 90 mins by liquid scintillation counting method

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))		BDBM50078015
PNG
(CHEMBL3417395)
Show SMILES CCOc1ccccc1N\N=C1/C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 |c:14|
Show InChI InChI=1S/C21H19N5O2S/c1-3-28-18-12-8-7-11-16(18)23-24-19-14(2)25-26(20(19)27)21-22-17(13-29-21)15-9-5-4-6-10-15/h4-13,23H,3H2,1-2H3/b24-19+
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 1.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))		BDBM50078027
PNG
(CHEMBL3417407)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccc(cc1)C(C)C |c:14|
Show InChI InChI=1S/C27H28N4O3/c1-5-34-25-9-7-6-8-24(25)28-29-26-18(4)30-31(27(26)33)22-14-21(15-23(32)16-22)20-12-10-19(11-13-20)17(2)3/h6-17,28,32H,5H2,1-4H3/b29-26-
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 1.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))		BDBM50078026
PNG
(CHEMBL3417406)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1cccc(N)c1 |c:14|
Show InChI InChI=1S/C24H23N5O3/c1-3-32-22-10-5-4-9-21(22)26-27-23-15(2)28-29(24(23)31)19-12-17(13-20(30)14-19)16-7-6-8-18(25)11-16/h4-14,26,30H,3,25H2,1-2H3/b27-23-
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 1.30E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))		BDBM50078028
PNG
(CHEMBL3417408)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cccc(c1)-c1ccc(cc1)N(C)C |c:14|
Show InChI InChI=1S/C26H27N5O2/c1-5-33-24-12-7-6-11-23(24)27-28-25-18(2)29-31(26(25)32)22-10-8-9-20(17-22)19-13-15-21(16-14-19)30(3)4/h6-17,27H,5H2,1-4H3/b28-25-
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 1.30E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50078016
PNG
(CHEMBL3417396)
Show SMILES CC1=NN(C(=O)\C1=C\C(c1ccccc1)c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C27H21N3OS/c1-19-23(17-24(20-11-5-2-6-12-20)21-13-7-3-8-14-21)26(31)30(29-19)27-28-25(18-32-27)22-15-9-4-10-16-22/h2-18,24H,1H3/b23-17+
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 1.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50078017
PNG
(CHEMBL3417397)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(cc1)-c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C26H19N3OS/c1-18-23(16-19-12-14-21(15-13-19)20-8-4-2-5-9-20)25(30)29(28-18)26-27-24(17-31-26)22-10-6-3-7-11-22/h2-17H,1H3/b23-16+
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 1.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))		BDBM50078024
PNG
(CHEMBL3417404)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccncc1 |c:14|
Show InChI InChI=1S/C23H21N5O3/c1-3-31-21-7-5-4-6-20(21)25-26-22-15(2)27-28(23(22)30)18-12-17(13-19(29)14-18)16-8-10-24-11-9-16/h4-14,25,29H,3H2,1-2H3/b26-22-
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 1.70E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50078030
PNG
(CHEMBL3417410)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C20H15N3OS/c1-14-17(12-15-8-4-2-5-9-15)19(24)23(22-14)20-21-18(13-25-20)16-10-6-3-7-11-16/h2-13H,1H3/b17-12+
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 1.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50078027
PNG
(CHEMBL3417407)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccc(cc1)C(C)C |c:14|
Show InChI InChI=1S/C27H28N4O3/c1-5-34-25-9-7-6-8-24(25)28-29-26-18(4)30-31(27(26)33)22-14-21(15-23(32)16-22)20-12-10-19(11-13-20)17(2)3/h6-17,28,32H,5H2,1-4H3/b29-26-
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 1.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50078019
PNG
(CHEMBL3417399)
Show SMILES CC1=NN(C(=O)\C1=C\c1ncc[nH]1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C17H13N5OS/c1-11-13(9-15-18-7-8-19-15)16(23)22(21-11)17-20-14(10-24-17)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)/b13-9+
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 2.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50078018
PNG
(CHEMBL3417398)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc2ccccc2c1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C24H17N3OS/c1-16-21(14-17-11-12-18-7-5-6-10-20(18)13-17)23(28)27(26-16)24-25-22(15-29-24)19-8-3-2-4-9-19/h2-15H,1H3/b21-14+
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 2.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))		BDBM50081125
PNG
(CHEMBL3421961)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1\[#6]=[#6]-1/[#6](=O)-[#7](-[#6]-c2ccccc2)-[#6](=O)-[#7](-[#6]-c2ccccc2)-[#6]-1=O
Show InChI InChI=1S/C27H24N2O4/c1-18-13-22(30)14-19(2)23(18)15-24-25(31)28(16-20-9-5-3-6-10-20)27(33)29(26(24)32)17-21-11-7-4-8-12-21/h3-15,30H,16-17H2,1-2H3
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 2.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of P300 (unknown origin) using acetyl CoA as substrate after 15 mins by double reciprocal plot analysis

J Med Chem 58: 2779-98 (2015)


Article DOI: 10.1021/jm5019687
BindingDB Entry DOI: 10.7270/Q2736SMP
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50078030
PNG
(CHEMBL3417410)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C20H15N3OS/c1-14-17(12-15-8-4-2-5-9-15)19(24)23(22-14)20-21-18(13-25-20)16-10-6-3-7-11-16/h2-13H,1H3/b17-12+
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 2.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))		BDBM50078030
PNG
(CHEMBL3417410)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C20H15N3OS/c1-14-17(12-15-8-4-2-5-9-15)19(24)23(22-14)20-21-18(13-25-20)16-10-6-3-7-11-16/h2-13H,1H3/b17-12+
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 2.50E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128352
PNG
(CHEMBL3629184)
Show SMILES BrC1=NOC2CN(CC12)C(=O)[C@H](CCc1ccccc1)NC(=O)OCC=C |r,t:1|
Show InChI InChI=1S/C19H22BrN3O4/c1-2-10-26-19(25)21-15(9-8-13-6-4-3-5-7-13)18(24)23-11-14-16(12-23)27-22-17(14)20/h2-7,14-16H,1,8-12H2,(H,21,25)/t14?,15-,16?/m0/s1
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 2.62E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128350
PNG
(CHEMBL3629186)
Show SMILES [H][C@@]12CN(C[C@]1([H])C(Br)=NO2)C(=O)[C@H](CCc1ccccc1)NC(=O)OCC=C |r,c:9|
Show InChI InChI=1S/C19H22BrN3O4/c1-2-10-26-19(25)21-15(9-8-13-6-4-3-5-7-13)18(24)23-11-14-16(12-23)27-22-17(14)20/h2-7,14-16H,1,8-12H2,(H,21,25)/t14-,15-,16+/m0/s1
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 2.73E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50078015
PNG
(CHEMBL3417395)
Show SMILES CCOc1ccccc1N\N=C1/C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 |c:14|
Show InChI InChI=1S/C21H19N5O2S/c1-3-28-18-12-8-7-11-16(18)23-24-19-14(2)25-26(20(19)27)21-22-17(13-29-21)15-9-5-4-6-10-15/h4-13,23H,3H2,1-2H3/b24-19+
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 3.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50078017
PNG
(CHEMBL3417397)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(cc1)-c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C26H19N3OS/c1-18-23(16-19-12-14-21(15-13-19)20-8-4-2-5-9-20)25(30)29(28-18)26-27-24(17-31-26)22-10-6-3-7-11-22/h2-17H,1H3/b23-16+
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 3.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128351
PNG
(CHEMBL3629185)
Show SMILES [H][C@]12CN(C[C@@]1([H])C(Br)=NO2)C(=O)[C@H](CCc1ccccc1)NC(=O)OCC=C |r,c:9|
Show InChI InChI=1S/C19H22BrN3O4/c1-2-10-26-19(25)21-15(9-8-13-6-4-3-5-7-13)18(24)23-11-14-16(12-23)27-22-17(14)20/h2-7,14-16H,1,8-12H2,(H,21,25)/t14-,15+,16+/m1/s1
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 3.35E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50078029
PNG
(CHEMBL3417409)
Show SMILES CN(C)c1ccc(cc1)-c1cc(O)cc(c1)N1N=C(C)\C(=N\Nc2ccc3ccccc3c2)C1=O |t:19|
Show InChI InChI=1S/C28H25N5O2/c1-18-27(30-29-23-11-8-19-6-4-5-7-21(19)14-23)28(35)33(31-18)25-15-22(16-26(34)17-25)20-9-12-24(13-10-20)32(2)3/h4-17,29,34H,1-3H3/b30-27-
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 3.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50078018
PNG
(CHEMBL3417398)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc2ccccc2c1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C24H17N3OS/c1-16-21(14-17-11-12-18-7-5-6-10-20(18)13-17)23(28)27(26-16)24-25-22(15-29-24)19-8-3-2-4-9-19/h2-15H,1H3/b21-14+
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 3.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50078028
PNG
(CHEMBL3417408)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cccc(c1)-c1ccc(cc1)N(C)C |c:14|
Show InChI InChI=1S/C26H27N5O2/c1-5-33-24-12-7-6-11-23(24)27-28-25-18(2)29-31(26(25)32)22-10-8-9-20(17-22)19-13-15-21(16-14-19)30(3)4/h6-17,27H,5H2,1-4H3/b28-25-
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 4.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50078019
PNG
(CHEMBL3417399)
Show SMILES CC1=NN(C(=O)\C1=C\c1ncc[nH]1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C17H13N5OS/c1-11-13(9-15-18-7-8-19-15)16(23)22(21-11)17-20-14(10-24-17)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)/b13-9+
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 6.80E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128345
PNG
(CHEMBL3629346)
Show SMILES [H][C@@]12CN(C[C@]1([H])C(Br)=NO2)C(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccc(cc1)[N+]([O-])=O |r,c:9|
Show InChI InChI=1S/C23H23BrN4O6/c24-21-18-12-27(13-20(18)34-26-21)22(29)19(11-8-15-4-2-1-3-5-15)25-23(30)33-14-16-6-9-17(10-7-16)28(31)32/h1-7,9-10,18-20H,8,11-14H2,(H,25,30)/t18-,19-,20+/m0/s1
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 6.81E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128349
PNG
(CHEMBL3629339)
Show SMILES CC(C)C[C@H](NC(=O)OCC=C)C(=O)N1CC2ON=C(Br)C2C1 |r,t:18|
Show InChI InChI=1S/C15H22BrN3O4/c1-4-5-22-15(21)17-11(6-9(2)3)14(20)19-7-10-12(8-19)23-18-13(10)16/h4,9-12H,1,5-8H2,2-3H3,(H,17,21)/t10?,11-,12?/m0/s1
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 8.36E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128354
PNG
(CHEMBL3629181)
Show SMILES BrC1=NOC2CN(CC12)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r,t:1|
Show InChI InChI=1S/C22H22BrN3O4/c23-20-17-12-26(13-19(17)30-25-20)21(27)18(11-15-7-3-1-4-8-15)24-22(28)29-14-16-9-5-2-6-10-16/h1-10,17-19H,11-14H2,(H,24,28)/t17?,18-,19?/m0/s1
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 8.41E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128347
PNG
(CHEMBL3629341)
Show SMILES [H][C@@]12CN(C[C@]1([H])C(Br)=NO2)C(=O)[C@H](CC(C)C)NC(=O)OCC=C |r,c:9|
Show InChI InChI=1S/C15H22BrN3O4/c1-4-5-22-15(21)17-11(6-9(2)3)14(20)19-7-10-12(8-19)23-18-13(10)16/h4,9-12H,1,5-8H2,2-3H3,(H,17,21)/t10-,11-,12+/m0/s1
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 8.52E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128348
PNG
(CHEMBL3629340)
Show SMILES [H][C@]12CN(C[C@@]1([H])C(Br)=NO2)C(=O)[C@H](CC(C)C)NC(=O)OCC=C |r,c:9|
Show InChI InChI=1S/C15H22BrN3O4/c1-4-5-22-15(21)17-11(6-9(2)3)14(20)19-7-10-12(8-19)23-18-13(10)16/h4,9-12H,1,5-8H2,2-3H3,(H,17,21)/t10-,11+,12+/m1/s1
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 9.05E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))		BDBM50078023
PNG
(CHEMBL3417403)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccccc1 |c:14|
Show InChI InChI=1S/C24H22N4O3/c1-3-31-22-12-8-7-11-21(22)25-26-23-16(2)27-28(24(23)30)19-13-18(14-20(29)15-19)17-9-5-4-6-10-17/h4-15,25,29H,3H2,1-2H3/b26-23-
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 9.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))		BDBM50081125
PNG
(CHEMBL3421961)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1\[#6]=[#6]-1/[#6](=O)-[#7](-[#6]-c2ccccc2)-[#6](=O)-[#7](-[#6]-c2ccccc2)-[#6]-1=O
Show InChI InChI=1S/C27H24N2O4/c1-18-13-22(30)14-19(2)23(18)15-24-25(31)28(16-20-9-5-3-6-10-20)27(33)29(26(24)32)17-21-11-7-4-8-12-21/h3-15,30H,16-17H2,1-2H3
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 9.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of P300 (unknown origin) using biotinylated H3 as substrate after 15 mins by double reciprocal plot analysis

J Med Chem 58: 2779-98 (2015)


Article DOI: 10.1021/jm5019687
BindingDB Entry DOI: 10.7270/Q2736SMP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50078022
PNG
(CHEMBL3417402)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccc(cc1)N(C)C |c:14|
Show InChI InChI=1S/C26H27N5O3/c1-5-34-24-9-7-6-8-23(24)27-28-25-17(2)29-31(26(25)33)21-14-19(15-22(32)16-21)18-10-12-20(13-11-18)30(3)4/h6-16,27,32H,5H2,1-4H3/b28-25-
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 1.20E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))		BDBM50078018
PNG
(CHEMBL3417398)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc2ccccc2c1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C24H17N3OS/c1-16-21(14-17-11-12-18-7-5-6-10-20(18)13-17)23(28)27(26-16)24-25-22(15-29-24)19-8-3-2-4-9-19/h2-15H,1H3/b21-14+
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 1.26E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))		BDBM50078017
PNG
(CHEMBL3417397)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(cc1)-c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C26H19N3OS/c1-18-23(16-19-12-14-21(15-13-19)20-8-4-2-5-9-20)25(30)29(28-18)26-27-24(17-31-26)22-10-6-3-7-11-22/h2-17H,1H3/b23-16+
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 1.29E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...

J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
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