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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 160.1
BDBM32142
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Wt: 143.1
BDBM50159256
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Wt: 143.1
BDBM50159277
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Wt: 230.2
BDBM50199450
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Wt: 237.3
BDBM50171003
Wt: 223.3
BDBM50171032
Wt: 225.3
BDBM50171035
Wt: 237.3
BDBM50171036
Wt: 233.3
BDBM50171041
Wt: 205.2
BDBM50171042
Wt: 228.3
BDBM50171077
Wt: 228.3
BDBM50171078
Wt: 228.3
BDBM50171079
Wt: 166.1
BDBM50189336
Wt: 233.3
BDBM50171040
Displayed 1 to 15 (of 352 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 40 hits in this display   
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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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n/an/a 600n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate expressed in human KG1A cells assessed as free 7-amino-...


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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n/an/a 600n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate expressed in human NB4 cells assessed as free 7-amino-4...


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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n/an/a 600n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate expressed in human MDAY-D2 cells assessed as free 7-ami...


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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n/an/a 600n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate expressed in human K562 cells assessed as free 7-amino-...


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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n/an/a 600n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate expressed in human UTMC2 cells assessed as free 7-amino...


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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n/an/a 600n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate expressed in human KMH11 cells assessed as free 7-amino...


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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n/an/a 600n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate expressed in human KMS18 cells assessed as free 7-amino...


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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n/an/a 600n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate expressed in human OCI-AML2 cells assessed as free 7-am...


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant IDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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n/an/a 1.56E+3n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (human))
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50189336
PNG
(CHEMBL1728276)
Show SMILES Oc1ccc2C(=O)COc2c1O
Show InChI InChI=1S/C8H6O4/c9-5-2-1-4-6(10)3-12-8(4)7(5)11/h1-2,9,11H,3H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of 20S proteasome (unknown origin) using suc-leu-leu-val-tyr-AMC as substrate after 40 mins in presence of 1...


Bioorg Med Chem Lett 26: 3826-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.075
BindingDB Entry DOI: 10.7270/Q2WS8W63
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant TDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50171003
PNG
(CHEMBL3805932)
Show SMILES Cc1ccc2nc(C)c(cc2c1)C1=CCCCC1
Show InChI InChI=1S/C17H19N/c1-12-8-9-17-15(10-12)11-16(13(2)18-17)14-6-4-3-5-7-14/h6,8-11H,3-5,7H2,1-2H3
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n/an/a 8.50E+3n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate measured for 30 mins by fluorescence assay


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50199450
PNG
(1-(quinolin-2-ylmethylene)thiosemicarbazide | 2-(q...)
Show SMILES NC(=S)NN=Cc1ccc2ccccc2n1
Show InChI InChI=1S/C11H10N4S/c12-11(16)15-13-7-9-6-5-8-3-1-2-4-10(8)14-9/h1-7H,(H3,12,15,16)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity in rabbit 20S proteasome


J Med Chem 49: 7242-6 (2006)


Article DOI: 10.1021/jm060712l
BindingDB Entry DOI: 10.7270/Q2RV0NCV
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50159256
PNG
(3-Methyl-1-benzazine | 3-methylquinoline | CHEMBL1...)
Show SMILES Cc1cnc2ccccc2c1
Show InChI InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cytochrome P450 1A2


J Med Chem 48: 3808-15 (2005)


Article DOI: 10.1021/jm0489713
BindingDB Entry DOI: 10.7270/Q2R2125K
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50171036
PNG
(CHEMBL3805729)
Show SMILES Cc1cc(C)c2cc(cnc2c1)C1=CCCCC1
Show InChI InChI=1S/C17H19N/c1-12-8-13(2)16-10-15(11-18-17(16)9-12)14-6-4-3-5-7-14/h6,8-11H,3-5,7H2,1-2H3
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n/an/a 1.38E+4n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate measured for 30 mins by fluorescence assay


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50171079
PNG
(CHEMBL3805403)
Show SMILES CCc1cc2cc(ccc2nc1CC)N(C)C
Show InChI InChI=1S/C15H20N2/c1-5-11-9-12-10-13(17(3)4)7-8-15(12)16-14(11)6-2/h7-10H,5-6H2,1-4H3
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n/an/a 1.87E+4n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate measured for 30 mins by fluorescence assay


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50171040
PNG
(CHEMBL3805282)
Show SMILES Cc1ccc2nc(C)c(cc2c1)-c1ccccc1
Show InChI InChI=1S/C17H15N/c1-12-8-9-17-15(10-12)11-16(13(2)18-17)14-6-4-3-5-7-14/h3-11H,1-2H3
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n/an/a 1.92E+4n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate measured for 30 mins by fluorescence assay


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50171041
PNG
(CHEMBL3805307)
Show SMILES Cc1cc(C)c2cc(cnc2c1)-c1ccccc1
Show InChI InChI=1S/C17H15N/c1-12-8-13(2)16-10-15(11-18-17(16)9-12)14-6-4-3-5-7-14/h3-11H,1-2H3
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n/an/a 2.36E+4n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate measured for 30 mins by fluorescence assay


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50171077
PNG
(CHEMBL3805957)
Show SMILES CN(C)c1ccc2ncc(cc2c1)C(C)(C)C
Show InChI InChI=1S/C15H20N2/c1-15(2,3)12-8-11-9-13(17(4)5)6-7-14(11)16-10-12/h6-10H,1-5H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate measured for 30 mins by fluorescence assay


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50159277
PNG
(2-Methyl-quinoline | 2-methylquinoline | CHEMBL194...)
Show SMILES Cc1ccc2ccccc2n1
Show InChI InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate measured for 30 mins by fluorescence assay


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50159256
PNG
(3-Methyl-1-benzazine | 3-methylquinoline | CHEMBL1...)
Show SMILES Cc1cnc2ccccc2c1
Show InChI InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate measured for 30 mins by fluorescence assay


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50171042
PNG
(CHEMBL3805672)
Show SMILES c1ccc(cc1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C15H11N/c1-2-6-12(7-3-1)14-10-13-8-4-5-9-15(13)16-11-14/h1-11H
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n/an/a>2.50E+4n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate measured for 30 mins by fluorescence assay


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50171035
PNG
(CHEMBL3805830)
Show SMILES CCc1nc2cc(C)cc(C)c2cc1C(C)=C
Show InChI InChI=1S/C16H19N/c1-6-15-13(10(2)3)9-14-12(5)7-11(4)8-16(14)17-15/h7-9H,2,6H2,1,3-5H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate measured for 30 mins by fluorescence assay


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50171032
PNG
(CHEMBL3805787)
Show SMILES Cc1nc2ccccc2cc1C1=CCCCC1
Show InChI InChI=1S/C16H17N/c1-12-15(13-7-3-2-4-8-13)11-14-9-5-6-10-16(14)17-12/h5-7,9-11H,2-4,8H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate measured for 30 mins by fluorescence assay


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50171078
PNG
(CHEMBL3804847)
Show SMILES CCCCc1ccc2cc(ccc2n1)N(C)C
Show InChI InChI=1S/C15H20N2/c1-4-5-6-13-8-7-12-11-14(17(2)3)9-10-15(12)16-13/h7-11H,4-6H2,1-3H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate measured for 30 mins by fluorescence assay


Bioorg Med Chem 24: 2441-50 (2016)


Article DOI: 10.1016/j.bmc.2016.04.005
BindingDB Entry DOI: 10.7270/Q2PK0J26
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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n/an/a 2.76E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50159277
PNG
(2-Methyl-quinoline | 2-methylquinoline | CHEMBL194...)
Show SMILES Cc1ccc2ccccc2n1
Show InChI InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cytochrome P450 1A2


J Med Chem 48: 3808-15 (2005)


Article DOI: 10.1021/jm0489713
BindingDB Entry DOI: 10.7270/Q2R2125K
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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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
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50199450
PNG
(1-(quinolin-2-ylmethylene)thiosemicarbazide | 2-(q...)
Show SMILES NC(=S)NN=Cc1ccc2ccccc2n1
Show InChI InChI=1S/C11H10N4S/c12-11(16)15-13-7-9-6-5-8-3-1-2-4-10(8)14-9/h1-7H,(H3,12,15,16)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Universit£ de Grenoble/CNRS

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 mins by spectroscopic method


Eur J Med Chem 46: 4330-5 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.003
BindingDB Entry DOI: 10.7270/Q2SF2WKC
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159277
PNG
(2-Methyl-quinoline | 2-methylquinoline | CHEMBL194...)
Show SMILES Cc1ccc2ccccc2n1
Show InChI InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
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n/an/a 8.00E+4n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Eur J Med Chem 44: 1941-51 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.010
BindingDB Entry DOI: 10.7270/Q2PZ5B1Z
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159277
PNG
(2-Methyl-quinoline | 2-methylquinoline | CHEMBL194...)
Show SMILES Cc1ccc2ccccc2n1
Show InChI InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
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n/an/a 8.00E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


J Med Chem 48: 440-9 (2005)


Article DOI: 10.1021/jm049536b
BindingDB Entry DOI: 10.7270/Q20C4WJV
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159256
PNG
(3-Methyl-1-benzazine | 3-methylquinoline | CHEMBL1...)
Show SMILES Cc1cnc2ccccc2c1
Show InChI InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


J Med Chem 48: 440-9 (2005)


Article DOI: 10.1021/jm049536b
BindingDB Entry DOI: 10.7270/Q20C4WJV
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159256
PNG
(3-Methyl-1-benzazine | 3-methylquinoline | CHEMBL1...)
Show SMILES Cc1cnc2ccccc2c1
Show InChI InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Eur J Med Chem 44: 1941-51 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.010
BindingDB Entry DOI: 10.7270/Q2PZ5B1Z
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50159277
PNG
(2-Methyl-quinoline | 2-methylquinoline | CHEMBL194...)
Show SMILES Cc1ccc2ccccc2n1
Show InChI InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
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n/an/a 1.90E+5n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cytochrome P450 2A6


J Med Chem 48: 440-9 (2005)


Article DOI: 10.1021/jm049536b
BindingDB Entry DOI: 10.7270/Q20C4WJV
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50159277
PNG
(2-Methyl-quinoline | 2-methylquinoline | CHEMBL194...)
Show SMILES Cc1ccc2ccccc2n1
Show InChI InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
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n/an/a 1.90E+5n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2A6


Eur J Med Chem 44: 1941-51 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.010
BindingDB Entry DOI: 10.7270/Q2PZ5B1Z
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50159256
PNG
(3-Methyl-1-benzazine | 3-methylquinoline | CHEMBL1...)
Show SMILES Cc1cnc2ccccc2c1
Show InChI InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3
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n/an/a 2.00E+5n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2A6


Eur J Med Chem 44: 1941-51 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.010
BindingDB Entry DOI: 10.7270/Q2PZ5B1Z
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50159256
PNG
(3-Methyl-1-benzazine | 3-methylquinoline | CHEMBL1...)
Show SMILES Cc1cnc2ccccc2c1
Show InChI InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3
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n/an/a 2.00E+5n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cytochrome P450 2A6


J Med Chem 48: 440-9 (2005)


Article DOI: 10.1021/jm049536b
BindingDB Entry DOI: 10.7270/Q20C4WJV
More data for this
Ligand-Target Pair