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PubChem AID 714

Compile data set for download or QSAR
Found 42 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40285
PNG
(2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-m...)
Show SMILES COc1cccc(NC(=O)c2ccccc2-c2nc(no2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H16ClN3O3/c1-28-17-6-4-5-16(13-17)24-21(27)18-7-2-3-8-19(18)22-25-20(26-29-22)14-9-11-15(23)12-10-14/h2-13H,1H3,(H,24,27)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM39909
PNG
(MLS000029781 | N-(3-Cyano-4,5-dimethyl-thiophen-2-...)
Show SMILES Cc1sc(NC(=O)CSc2nnc(o2)-c2ccc(F)cc2)c(C#N)c1C
Show InChI InChI=1S/C17H13FN4O2S2/c1-9-10(2)26-16(13(9)7-19)20-14(23)8-25-17-22-21-15(24-17)11-3-5-12(18)6-4-11/h3-6H,8H2,1-2H3,(H,20,23)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40284
PNG
(MLS000082661 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES CCc1nc(SCC(=O)Nc2ccc3OCCOc3c2)c2oc3ccccc3c2n1
Show InChI InChI=1S/C22H19N3O4S/c1-2-18-24-20-14-5-3-4-6-15(14)29-21(20)22(25-18)30-12-19(26)23-13-7-8-16-17(11-13)28-10-9-27-16/h3-8,11H,2,9-10,12H2,1H3,(H,23,26)
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n/an/a 1.39E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40282
PNG
(3-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-[4-(furan-...)
Show SMILES Cc1cccc2cc(C(N3CCN(CC3)C(=O)c3ccco3)c3nnnn3C(C)(C)C)c(=O)[nH]c12
Show InChI InChI=1S/C25H29N7O3/c1-16-7-5-8-17-15-18(23(33)26-20(16)17)21(22-27-28-29-32(22)25(2,3)4)30-10-12-31(13-11-30)24(34)19-9-6-14-35-19/h5-9,14-15,21H,10-13H2,1-4H3,(H,26,33)
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n/an/a 1.73E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40266
PNG
(1-[1-(3-piperidin-1-ylsulfonylphenyl)sulfonylpiper...)
Show SMILES O=S(=O)(N1CCCCC1)c1cccc(c1)S(=O)(=O)N1CCC(CC1)n1nnc2ccccc12
Show InChI InChI=1S/C22H27N5O4S2/c28-32(29,25-13-4-1-5-14-25)19-7-6-8-20(17-19)33(30,31)26-15-11-18(12-16-26)27-22-10-3-2-9-21(22)23-24-27/h2-3,6-10,17-18H,1,4-5,11-16H2
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n/an/a 1.83E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40281
PNG
(4-Amino-2-[(3-cyano-4,5-dimethyl-thiophen-2-ylcarb...)
Show SMILES CCOC(=O)c1cnc(SCC(=O)Nc2sc(C)c(C)c2C#N)nc1N
Show InChI InChI=1S/C16H17N5O3S2/c1-4-24-15(23)11-6-19-16(21-13(11)18)25-7-12(22)20-14-10(5-17)8(2)9(3)26-14/h6H,4,7H2,1-3H3,(H,20,22)(H2,18,19,21)
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n/an/a 1.87E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40268
PNG
(5-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-7-(tr...)
Show SMILES FC(F)(F)c1cc(nc2cc(nn12)C(=O)NCc1ccco1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H13F3N4O4/c21-20(22,23)17-7-13(11-3-4-15-16(6-11)31-10-30-15)25-18-8-14(26-27(17)18)19(28)24-9-12-2-1-5-29-12/h1-8H,9-10H2,(H,24,28)
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n/an/a 2.04E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40290
PNG
((5Z)-5-(2-furylmethylene)-2-(4-methylphenyl)[1,3]t...)
Show SMILES Cc1ccc(cc1)-c1nc2sc(=Cc3ccco3)c(=O)n2n1
Show InChI InChI=1S/C16H11N3O2S/c1-10-4-6-11(7-5-10)14-17-16-19(18-14)15(20)13(22-16)9-12-3-2-8-21-12/h2-9H,1H3
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n/an/a 2.26E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40276
PNG
(5-Acetyl-4-methyl-2-[2-(5-phenyl-tetrazol-2-yl)-ac...)
Show SMILES CCOC(=O)c1c(C)c(sc1NC(=O)Cn1nnc(n1)-c1ccccc1)C(C)=O
Show InChI InChI=1S/C19H19N5O4S/c1-4-28-19(27)15-11(2)16(12(3)25)29-18(15)20-14(26)10-24-22-17(21-23-24)13-8-6-5-7-9-13/h5-9H,4,10H2,1-3H3,(H,20,26)
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n/an/a 2.31E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM38238
PNG
(4-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]ace...)
Show SMILES CCOC(=O)c1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C16H17N3O4S/c1-3-23-15(22)11-4-6-12(7-5-11)18-14(21)9-24-16-17-10(2)8-13(20)19-16/h4-8H,3,9H2,1-2H3,(H,18,21)(H,17,19,20)
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n/an/a 2.33E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40283
PNG
(MLS000081361 | SMR000044901 | cid_664021)
Show SMILES [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccccc1)C(=O)c1ccco1 |c:4|
Show InChI InChI=1S/C25H18N2O4/c28-23(18-11-6-14-31-18)22-20-19(21-17-10-5-4-7-15(17)12-13-26(21)22)24(29)27(25(20)30)16-8-2-1-3-9-16/h1-14,19-22H/t19-,20+,21?,22-/m0/s1
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n/an/a 2.34E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40274
PNG
(2-(2-{5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxa...)
Show SMILES CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)o1
Show InChI InChI=1S/C20H21FN4O4S2/c1-4-28-19(27)17-11(2)12(3)31-18(17)23-15(26)10-30-20-25-24-16(29-20)9-22-14-7-5-13(21)6-8-14/h5-8,22H,4,9-10H2,1-3H3,(H,23,26)
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n/an/a 2.91E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40289
PNG
(2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)su...)
Show SMILES CN(C)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCCC2)cc1
Show InChI InChI=1S/C24H28N4O2S/c1-27(2)18-14-12-17(13-15-18)25-22(29)16-31-24-26-21-11-7-6-10-20(21)23(30)28(24)19-8-4-3-5-9-19/h6-7,10-15,19H,3-5,8-9,16H2,1-2H3,(H,25,29)
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n/an/a 3.02E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40299
PNG
(4-ethyl-5-methyl-2-(2-thenoylamino)thiophene-3-car...)
Show SMILES CCOC(=O)c1c(NC(=O)c2cccs2)sc(C)c1CC
Show InChI InChI=1S/C15H17NO3S2/c1-4-10-9(3)21-14(12(10)15(18)19-5-2)16-13(17)11-7-6-8-20-11/h6-8H,4-5H2,1-3H3,(H,16,17)
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n/an/a 3.04E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40301
PNG
(4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tet...)
Show SMILES CCCOC(=O)C1=C(C)N=C2CCCC(=O)C2C1c1cccc(OC)c1OC |c:6,t:9|
Show InChI InChI=1S/C22H27NO5/c1-5-12-28-22(25)18-13(2)23-15-9-7-10-16(24)20(15)19(18)14-8-6-11-17(26-3)21(14)27-4/h6,8,11,19-20H,5,7,9-10,12H2,1-4H3
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n/an/a 3.39E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM37507
PNG
(MLS000113142 | N-(2,4-dimethoxyphenyl)-2-[2-(furan...)
Show SMILES COc1ccc(NC(=O)c2c(NC(=O)CNCc3ccco3)sc3CCCc23)c(OC)c1
Show InChI InChI=1S/C23H25N3O5S/c1-29-14-8-9-17(18(11-14)30-2)25-22(28)21-16-6-3-7-19(16)32-23(21)26-20(27)13-24-12-15-5-4-10-31-15/h4-5,8-11,24H,3,6-7,12-13H2,1-2H3,(H,25,28)(H,26,27)
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n/an/a 3.58E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40288
PNG
(3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-m...)
Show SMILES COc1ccc2nc(NC(=O)CCc3nc(no3)-c3ccccc3F)sc2c1
Show InChI InChI=1S/C19H15FN4O3S/c1-26-11-6-7-14-15(10-11)28-19(21-14)22-16(25)8-9-17-23-18(24-27-17)12-4-2-3-5-13(12)20/h2-7,10H,8-9H2,1H3,(H,21,22,25)
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n/an/a 3.66E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40292
PNG
(MLS000066762 | N-[2-(4-acetyl-1-piperazinyl)phenyl...)
Show SMILES CC(C)c1ccc(C)cc1OCC(=O)Nc1ccccc1N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H31N3O3/c1-17(2)20-10-9-18(3)15-23(20)30-16-24(29)25-21-7-5-6-8-22(21)27-13-11-26(12-14-27)19(4)28/h5-10,15,17H,11-14,16H2,1-4H3,(H,25,29)
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n/an/a 3.67E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40298
PNG
(2-[[3-(4-chlorophenyl)-4-keto-6,7-dihydrothieno[3,...)
Show SMILES Clc1ccc(cc1)-n1c(SCC(=O)Nc2ccc3OCCOc3c2)nc2CCSc2c1=O
Show InChI InChI=1S/C22H18ClN3O4S2/c23-13-1-4-15(5-2-13)26-21(28)20-16(7-10-31-20)25-22(26)32-12-19(27)24-14-3-6-17-18(11-14)30-9-8-29-17/h1-6,11H,7-10,12H2,(H,24,27)
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n/an/a 3.86E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40275
PNG
(2-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-N-[4-(3-meth...)
Show SMILES CC1CCCN(C1)S(=O)(=O)c1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2F)cc1
Show InChI InChI=1S/C21H23FN6O3S/c1-15-5-4-12-27(13-15)32(30,31)17-10-8-16(9-11-17)23-20(29)14-28-25-21(24-26-28)18-6-2-3-7-19(18)22/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,23,29)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40267
PNG
(MLS000029283 | N-(3-Cyano-4,5-dimethyl-thiophen-2-...)
Show SMILES Cc1sc(NC(=O)CSc2nnc(o2)-c2ccccc2)c(C#N)c1C
Show InChI InChI=1S/C17H14N4O2S2/c1-10-11(2)25-16(13(10)8-18)19-14(22)9-24-17-21-20-15(23-17)12-6-4-3-5-7-12/h3-7H,9H2,1-2H3,(H,19,22)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40302
PNG
(3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-cyano...)
Show SMILES O=C(CCN1C(=O)c2ccccc2C1=O)Nc1oc(c(c1C#N)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C28H19N3O4/c29-17-22-24(18-9-3-1-4-10-18)25(19-11-5-2-6-12-19)35-26(22)30-23(32)15-16-31-27(33)20-13-7-8-14-21(20)28(31)34/h1-14H,15-16H2,(H,30,32)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40273
PNG
(5-(4-Bromo-phenyl)-7-trifluoromethyl-4,5,6,7-tetra...)
Show SMILES FC(F)(F)C1CC(Nc2cc(nn12)C(=O)NCc1ccco1)c1ccc(Br)cc1
Show InChI InChI=1S/C19H16BrF3N4O2/c20-12-5-3-11(4-6-12)14-8-16(19(21,22)23)27-17(25-14)9-15(26-27)18(28)24-10-13-2-1-7-29-13/h1-7,9,14,16,25H,8,10H2,(H,24,28)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40277
PNG
(1-(4-Chloro-benzenesulfonyl)-piperidine-4-carboxyl...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nnc(s1)-c1ccco1
Show InChI InChI=1S/C18H17ClN4O4S2/c19-13-3-5-14(6-4-13)29(25,26)23-9-7-12(8-10-23)16(24)20-18-22-21-17(28-18)15-2-1-11-27-15/h1-6,11-12H,7-10H2,(H,20,22,24)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40295
PNG
(10-butyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-a]carba...)
Show SMILES CCCCn1c-2c(CCc3nonc-23)c2ccccc12
Show InChI InChI=1S/C16H17N3O/c1-2-3-10-19-14-7-5-4-6-11(14)12-8-9-13-15(16(12)19)18-20-17-13/h4-7H,2-3,8-10H2,1H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40287
PNG
(MLS000091972 | N-butyl-4-keto-6-(p-phenetylsulfamo...)
Show SMILES CCCCNC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)Nc1ccc(OCC)cc1
Show InChI InChI=1S/C22H25N3O5S/c1-3-5-12-23-22(27)19-14-24-20-11-10-17(13-18(20)21(19)26)31(28,29)25-15-6-8-16(9-7-15)30-4-2/h6-11,13-14,25H,3-5,12H2,1-2H3,(H,23,27)(H,24,26)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40293
PNG
(1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-(4-bromop...)
Show SMILES Nc1nn(cc1-c1ccc(Br)cc1)S(=O)(=O)c1cccc2nsnc12
Show InChI InChI=1S/C15H10BrN5O2S2/c16-10-6-4-9(5-7-10)11-8-21(18-15(11)17)25(22,23)13-3-1-2-12-14(13)20-24-19-12/h1-8H,(H2,17,18)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40291
PNG
(2-(1-amino-2-naphthalenyl)-1,1,1,3,3,3-hexafluoro-...)
Show SMILES Nc1c(ccc2ccccc12)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C13H9F6NO/c14-12(15,16)11(21,13(17,18)19)9-6-5-7-3-1-2-4-8(7)10(9)20/h1-6,21H,20H2
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40286
PNG
(6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-4-ox...)
Show SMILES Oc1c(cnc2ccc(cc12)S(=O)(=O)Nc1ccc2OCCOc2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C25H21N3O6S/c29-24-19-13-18(35(31,32)28-17-6-9-22-23(12-17)34-11-10-33-22)7-8-21(19)26-15-20(24)25(30)27-14-16-4-2-1-3-5-16/h1-9,12-13,15,28H,10-11,14H2,(H,26,29)(H,27,30)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM34288
PNG
(2-[(4-amino-3-methyl-2-thioxo-4-thiazoline-5-carbo...)
Show SMILES COC(=O)c1ccccc1NC(=O)c1sc(=S)n(C)c1N
Show InChI InChI=1S/C13H13N3O3S2/c1-16-10(14)9(21-13(16)20)11(17)15-8-6-4-3-5-7(8)12(18)19-2/h3-6H,14H2,1-2H3,(H,15,17)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40300
PNG
(2-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]su...)
Show SMILES CC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Cl)c(Cl)c2)C(C#N)C1c1ccco1 |c:3,t:6|
Show InChI InChI=1S/C21H16Cl2N2O3S/c1-11-19(12(2)26)20(18-4-3-7-28-18)14(9-24)21(25-11)29-10-17(27)13-5-6-15(22)16(23)8-13/h3-8,14,20H,10H2,1-2H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40271
PNG
(MLS000071074 | N-(3-Cyano-4,5-dimethyl-thiophen-2-...)
Show SMILES Cc1sc(NC(=O)CSc2nnc(C)c(=O)[nH]2)c(C#N)c1C
Show InChI InChI=1S/C13H13N5O2S2/c1-6-8(3)22-12(9(6)4-14)15-10(19)5-21-13-16-11(20)7(2)17-18-13/h5H2,1-3H3,(H,15,19)(H,16,18,20)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40279
PNG
(MLS000027775 | N-(3-Cyano-4,5-dimethyl-thiophen-2-...)
Show SMILES Cc1sc(NC(=O)CSc2nnc3scc(-c4ccccc4)n23)c(C#N)c1C
Show InChI InChI=1S/C19H15N5OS3/c1-11-12(2)28-17(14(11)8-20)21-16(25)10-27-19-23-22-18-24(19)15(9-26-18)13-6-4-3-5-7-13/h3-7,9H,10H2,1-2H3,(H,21,25)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40278
PNG
(2-[5-(4-Chloro-phenoxymethyl)-4-methyl-4H-[1,2,4]t...)
Show SMILES Cc1sc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2C)c(C#N)c1C
Show InChI InChI=1S/C19H18ClN5O2S2/c1-11-12(2)29-18(15(11)8-21)22-17(26)10-28-19-24-23-16(25(19)3)9-27-14-6-4-13(20)5-7-14/h4-7H,9-10H2,1-3H3,(H,22,26)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40270
PNG
(2,2,4,6,7-Pentamethyl-1,2-dihydro-quinoline | 2,2,...)
Show SMILES CC1=CC(C)(C)Nc2cc(C)c(C)cc12 |t:1|
Show InChI InChI=1S/C14H19N/c1-9-6-12-11(3)8-14(4,5)15-13(12)7-10(9)2/h6-8,15H,1-5H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40294
PNG
(3-(3-chloranyl-4-methyl-phenyl)-8-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)C1CC(=O)N2CN(CSC2=C1C#N)c1ccc(C)c(Cl)c1 |c:21|
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-4-6-16(9-19(14)24)26-12-27-22(28)10-17(18(11-25)23(27)31-13-26)15-5-7-20(29-2)21(8-15)30-3/h4-9,17H,10,12-13H2,1-3H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40269
PNG
(MLS000033606 | N-(3-Cyano-4,5,6,7-tetrahydro-benzo...)
Show SMILES O=C(CSc1nnnn1C1CCCCC1)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C18H22N6OS2/c19-10-14-13-8-4-5-9-15(13)27-17(14)20-16(25)11-26-18-21-22-23-24(18)12-6-2-1-3-7-12/h12H,1-9,11H2,(H,20,25)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40297
PNG
(1-(3,4-dimethylphenyl)-6-(methylthio)-2H-pyrazolo[...)
Show SMILES CSc1nc2n(ncc2c(=O)[nH]1)-c1ccc(C)c(C)c1
Show InChI InChI=1S/C14H14N4OS/c1-8-4-5-10(6-9(8)2)18-12-11(7-15-18)13(19)17-14(16-12)20-3/h4-7H,1-3H3,(H,16,17,19)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40280
PNG
(MLS000068725 | N-(4-Methoxy-benzyl)-4-(piperidine-...)
Show SMILES COc1ccc(CNS(=O)(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C19H24N2O5S2/c1-26-17-7-5-16(6-8-17)15-20-27(22,23)18-9-11-19(12-10-18)28(24,25)21-13-3-2-4-14-21/h5-12,20H,2-4,13-15H2,1H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40272
PNG
(2-[1-(2-Chloro-phenyl)-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES Clc1ccccc1-n1ncc2c(SCC(=O)Nc3sc4CCCCc4c3C#N)ncnc12
Show InChI InChI=1S/C22H17ClN6OS2/c23-16-6-2-3-7-17(16)29-20-15(10-27-29)21(26-12-25-20)31-11-19(30)28-22-14(9-24)13-5-1-4-8-18(13)32-22/h2-3,6-7,10,12H,1,4-5,8,11H2,(H,28,30)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40296
PNG
(1-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfan...)
Show SMILES Fc1ccc(CSc2nc3n(ncc3c(=O)[nH]2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H12F2N4OS/c19-12-3-1-11(2-4-12)10-26-18-22-16-15(17(25)23-18)9-21-24(16)14-7-5-13(20)6-8-14/h1-9H,10H2,(H,22,23,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1


(Homo sapiens (Human))		BDBM40303
PNG
(2-anilino-4-(3-furanyl)-6-oxo-N-phenyl-1-cyclohexe...)
Show SMILES O=C(Nc1ccccc1)C1=C(CC(CC1=O)c1ccoc1)Nc1ccccc1 |t:10|
Show InChI InChI=1S/C23H20N2O3/c26-21-14-17(16-11-12-28-15-16)13-20(24-18-7-3-1-4-8-18)22(21)23(27)25-19-9-5-2-6-10-19/h1-12,15,17,24H,13-14H2,(H,25,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%