BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2496 hits with Last Name = 'tan' and Initial = 'x'   
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
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50134709
PNG
(CHEMBL3747057)
Show SMILES COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O
Show InChI InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m0/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Time dependent inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate measured every 30 secs by Morrison and Walsh...


Bioorg Med Chem 24: 153-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.040
BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50134709
PNG
(CHEMBL3747057)
Show SMILES COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O
Show InChI InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m0/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
19n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Bur...


Bioorg Med Chem 24: 153-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.040
BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50442400
PNG
(AURICULASIN)
Show SMILES CC(C)=CCc1c2OC(C)(C)C=Cc2c(O)c2c1occ(-c1ccc(O)c(O)c1)c2=O
Show InChI InChI=1S/C25H24O6/c1-13(2)5-7-16-23-15(9-10-25(3,4)31-23)21(28)20-22(29)17(12-30-24(16)20)14-6-8-18(26)19(27)11-14/h5-6,8-12,26-28H,7H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
130n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as...


Bioorg Med Chem 21: 6398-404 (2013)


Article DOI: 10.1016/j.bmc.2013.08.049
BindingDB Entry DOI: 10.7270/Q2Z89DVN
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50134709
PNG
(CHEMBL3747057)
Show SMILES COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O
Show InChI InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m0/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
130n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 to 60 mins by Lineweaver-Burk and ...


Bioorg Med Chem 24: 153-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.040
BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50134710
PNG
(CHEMBL3745886)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)ccc(C2COc3cc(O)cc(O)c3C2=O)c1O
Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-12,19,26-29H,4,6,8,13H2,1-3H3/b15-7+
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
151n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Time dependent inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate measured every 30 secs by Morrison and Walsh...


Bioorg Med Chem 24: 153-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.040
BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM10441
PNG
((+)-Huperzine A | (+/-)Huperzine A | (-)-Huperzine...)
Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
175 -38.6n/an/an/an/an/a7.025



Weizmann Institute of Science



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


Biochemistry 41: 10810-8 (2002)


Article DOI: 10.1021/jm800936s
BindingDB Entry DOI: 10.7270/Q2HQ3X52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM10632
PNG
((-)-Huperzine B | (1R,10R)-16-methyl-6,14-diazatet...)
Show SMILES CC1=CC2Cc3[nH]c(=O)ccc3[C@]3(C1)NCCC[C@H]23
Show InChI InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11?,12-,16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
334 -37.0n/an/an/an/an/a7.025



Weizmann Institute of Science



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


Biochemistry 41: 10810-8 (2002)


Article DOI: 10.1021/jm800936s
BindingDB Entry DOI: 10.7270/Q2HQ3X52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sialidase


(Clostridium perfringens)
BDBM50442401
PNG
(CHEMBL2442947)
Show SMILES CC(C)=CCc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)c(O)c3)c(=O)c2c1O
Show InChI InChI=1S/C25H26O6/c1-13(2)5-8-16-22(28)17(9-6-14(3)4)25-21(23(16)29)24(30)18(12-31-25)15-7-10-19(26)20(27)11-15/h5-7,10-12,26-29H,8-9H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.02E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as...


Bioorg Med Chem 21: 6398-404 (2013)


Article DOI: 10.1016/j.bmc.2013.08.049
BindingDB Entry DOI: 10.7270/Q2Z89DVN
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50442399
PNG
(CHEMBL2442948)
Show SMILES CC(C)=CCc1c2OC(C)(C)C(=Cc2c(O)c2c1occ(-c1ccc(O)c(O)c1)c2=O)C(C)(C)C=C
Show InChI InChI=1S/C30H32O6/c1-8-29(4,5)23-14-19-25(33)24-26(34)20(17-10-12-21(31)22(32)13-17)15-35-28(24)18(11-9-16(2)3)27(19)36-30(23,6)7/h8-10,12-15,31-33H,1,11H2,2-7H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.36E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as...


Bioorg Med Chem 21: 6398-404 (2013)


Article DOI: 10.1016/j.bmc.2013.08.049
BindingDB Entry DOI: 10.7270/Q2Z89DVN
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50134710
PNG
(CHEMBL3745886)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)ccc(C2COc3cc(O)cc(O)c3C2=O)c1O
Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-12,19,26-29H,4,6,8,13H2,1-3H3/b15-7+
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Bur...


Bioorg Med Chem 24: 153-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.040
BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50202271
PNG
(2-[5-(phenyl(4-biphenyl)methylidene)-4-oxo-2-thiox...)
Show SMILES CC(C)C[C@H](N1C(=S)S\C(=C(\c2ccccc2)c2ccc(cc2)-c2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C28H25NO3S2/c1-18(2)17-23(27(31)32)29-26(30)25(34-28(29)33)24(21-11-7-4-8-12-21)22-15-13-20(14-16-22)19-9-5-3-6-10-19/h3-16,18,23H,17H2,1-2H3,(H,31,32)/b25-24-/t23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.95E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl2 protein by fluorescence polarization assay


Bioorg Med Chem 15: 2167-76 (2007)


Article DOI: 10.1016/j.bmc.2006.12.020
BindingDB Entry DOI: 10.7270/Q28W3F4C
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50442401
PNG
(CHEMBL2442947)
Show SMILES CC(C)=CCc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)c(O)c3)c(=O)c2c1O
Show InChI InChI=1S/C25H26O6/c1-13(2)5-8-16-22(28)17(9-6-14(3)4)25-21(23(16)29)24(30)18(12-31-25)15-7-10-19(26)20(27)11-15/h5-7,10-12,26-29H,8-9H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Qiqihar University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot


Bioorg Med Chem Lett 26: 318-21 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.021
BindingDB Entry DOI: 10.7270/Q2C82C4W
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50202269
PNG
(2-[5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O
Show InChI InChI=1S/C21H15BrN2O3S2/c22-14-7-5-12(6-8-14)9-18-19(25)24(21(28)29-18)17(20(26)27)10-13-11-23-16-4-2-1-3-15(13)16/h1-9,11,17,23H,10H2,(H,26,27)/b18-9-/t17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.85E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl2 protein by fluorescence polarization assay


Bioorg Med Chem 15: 2167-76 (2007)


Article DOI: 10.1016/j.bmc.2006.12.020
BindingDB Entry DOI: 10.7270/Q28W3F4C
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50442397
PNG
(OSAJIN)
Show SMILES CC(C)=CCc1c(O)c2c(occ(-c3ccc(O)cc3)c2=O)c2C=CC(C)(C)Oc12
Show InChI InChI=1S/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.21E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as...


Bioorg Med Chem 21: 6398-404 (2013)


Article DOI: 10.1016/j.bmc.2013.08.049
BindingDB Entry DOI: 10.7270/Q2Z89DVN
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50136569
PNG
(CHEMBL3754629)
Show SMILES COc1ccc(CCC(=O)C2=C(O)C(CC=C(C)C)=C3OC(C)(C)C=CC3(CC=C(C)C)C2=O)cc1
Show InChI InChI=1S/C31H38O5/c1-20(2)8-14-24-27(33)26(25(32)15-11-22-9-12-23(35-7)13-10-22)28(34)31(17-16-21(3)4)19-18-30(5,6)36-29(24)31/h8-10,12-13,16,18-19,33H,11,14-15,17H2,1-7H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a



Qiqihar University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot


Bioorg Med Chem Lett 26: 318-21 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.021
BindingDB Entry DOI: 10.7270/Q2C82C4W
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50442402
PNG
(FLEMINGSIN)
Show SMILES COc1cc(ccc1O)-c1coc2c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c2c1=O
Show InChI InChI=1S/C26H28O6/c1-14(2)6-9-17-23(28)18(10-7-15(3)4)26-22(24(17)29)25(30)19(13-32-26)16-8-11-20(27)21(12-16)31-5/h6-8,11-13,27-29H,9-10H2,1-5H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.68E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as...


Bioorg Med Chem 21: 6398-404 (2013)


Article DOI: 10.1016/j.bmc.2013.08.049
BindingDB Entry DOI: 10.7270/Q2Z89DVN
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50442403
PNG
(CHEMBL494252)
Show SMILES CC(C)=CCc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O
Show InChI InChI=1S/C25H26O5/c1-14(2)5-11-18-22(27)19(12-6-15(3)4)25-21(23(18)28)24(29)20(13-30-25)16-7-9-17(26)10-8-16/h5-10,13,26-28H,11-12H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.29E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as...


Bioorg Med Chem 21: 6398-404 (2013)


Article DOI: 10.1016/j.bmc.2013.08.049
BindingDB Entry DOI: 10.7270/Q2Z89DVN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM10441
PNG
((+)-Huperzine A | (+/-)Huperzine A | (-)-Huperzine...)
Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
4.30E+3 -30.6n/an/an/an/an/a7.025



Weizmann Institute of Science



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


Biochemistry 41: 10810-8 (2002)


Article DOI: 10.1021/jm800936s
BindingDB Entry DOI: 10.7270/Q2HQ3X52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kallikrein 5


(Homo sapiens (Human))
BDBM32709
PNG
((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-met...)
Show SMILES Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1
Show InChI InChI=1S/C15H13N5O/c1-10-4-6-11(7-5-10)14(21)20-15(16)18-13(19-20)12-3-2-8-17-9-12/h2-9H,1H3,(H2,16,18,19)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
4.40E+3n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC)

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 5 measured after 15 mins at pH 8 by double-reciprocal plot analysis


Bioorg Med Chem Lett 23: 4547-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.039
BindingDB Entry DOI: 10.7270/Q23B61JV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50442400
PNG
(AURICULASIN)
Show SMILES CC(C)=CCc1c2OC(C)(C)C=Cc2c(O)c2c1occ(-c1ccc(O)c(O)c1)c2=O
Show InChI InChI=1S/C25H24O6/c1-13(2)5-7-16-23-15(9-10-25(3,4)31-23)21(28)20-22(29)17(12-30-24(16)20)14-6-8-18(26)19(27)11-14/h5-6,8-12,26-28H,7H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
4.40E+3n/an/an/an/an/an/an/an/a



Qiqihar University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot


Bioorg Med Chem Lett 26: 318-21 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.021
BindingDB Entry DOI: 10.7270/Q2C82C4W
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50202271
PNG
(2-[5-(phenyl(4-biphenyl)methylidene)-4-oxo-2-thiox...)
Show SMILES CC(C)C[C@H](N1C(=S)S\C(=C(\c2ccccc2)c2ccc(cc2)-c2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C28H25NO3S2/c1-18(2)17-23(27(31)32)29-26(30)25(34-28(29)33)24(21-11-7-4-8-12-21)22-15-13-20(14-16-22)19-9-5-3-6-10-19/h3-16,18,23H,17H2,1-2H3,(H,31,32)/b25-24-/t23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.98E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Bioorg Med Chem 15: 2167-76 (2007)


Article DOI: 10.1016/j.bmc.2006.12.020
BindingDB Entry DOI: 10.7270/Q28W3F4C
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50442398
PNG
(CHEMBL2442949)
Show SMILES CC(C)=CCc1c2OC(C)(C)C(=Cc2c(O)c2c1occ(-c1ccc(O)cc1)c2=O)C(C)(C)C=C
Show InChI InChI=1S/C30H32O5/c1-8-29(4,5)23-15-21-25(32)24-26(33)22(18-10-12-19(31)13-11-18)16-34-28(24)20(14-9-17(2)3)27(21)35-30(23,6)7/h8-13,15-16,31-32H,1,14H2,2-7H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.27E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as...


Bioorg Med Chem 21: 6398-404 (2013)


Article DOI: 10.1016/j.bmc.2013.08.049
BindingDB Entry DOI: 10.7270/Q2Z89DVN
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50202283
PNG
(2-[5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES CC(C)C[C@H](N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
Show InChI InChI=1S/C16H16BrNO3S2/c1-9(2)7-12(15(20)21)18-14(19)13(23-16(18)22)8-10-3-5-11(17)6-4-10/h3-6,8-9,12H,7H2,1-2H3,(H,20,21)/b13-8-/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.43E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl2 protein by fluorescence polarization assay


Bioorg Med Chem 15: 2167-76 (2007)


Article DOI: 10.1016/j.bmc.2006.12.020
BindingDB Entry DOI: 10.7270/Q28W3F4C
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50134712
PNG
(CHEMBL3746218)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)ccc(c1O)C1(O)COc2cc(O)cc(O)c2C1=O
Show InChI InChI=1S/C25H28O7/c1-14(2)5-4-6-15(3)7-8-17-19(27)10-9-18(23(17)29)25(31)13-32-21-12-16(26)11-20(28)22(21)24(25)30/h5,7,9-12,26-29,31H,4,6,8,13H2,1-3H3/b15-7+
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.50E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Bur...


Bioorg Med Chem 24: 153-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.040
BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50442396
PNG
(CHEMBL2442950)
Show SMILES CC(C)=CCc1cc(c(CC=C(C)C)c(O)c1O)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C25H26O6/c1-13(2)5-7-15-9-18(17(8-6-14(3)4)25(30)23(15)28)19-12-31-21-11-16(26)10-20(27)22(21)24(19)29/h5-6,9-12,26-28,30H,7-8H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.86E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as...


Bioorg Med Chem 21: 6398-404 (2013)


Article DOI: 10.1016/j.bmc.2013.08.049
BindingDB Entry DOI: 10.7270/Q2Z89DVN
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50442403
PNG
(CHEMBL494252)
Show SMILES CC(C)=CCc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O
Show InChI InChI=1S/C25H26O5/c1-14(2)5-11-18-22(27)19(12-6-15(3)4)25-21(23(18)28)24(29)20(13-30-25)16-7-9-17(26)10-8-16/h5-10,13,26-28H,11-12H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.60E+3n/an/an/an/an/an/an/an/a



Qiqihar University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot


Bioorg Med Chem Lett 26: 318-21 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.021
BindingDB Entry DOI: 10.7270/Q2C82C4W
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM23223
PNG
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.01E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl2 protein by fluorescence polarization assay


Bioorg Med Chem 15: 2167-76 (2007)


Article DOI: 10.1016/j.bmc.2006.12.020
BindingDB Entry DOI: 10.7270/Q28W3F4C
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50202272
PNG
(2-[5-(1-phenylbutylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES CCC\C(=C1\SC(=S)N([C@@H](Cc2ccccc2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C22H21NO3S2/c1-2-9-17(16-12-7-4-8-13-16)19-20(24)23(22(27)28-19)18(21(25)26)14-15-10-5-3-6-11-15/h3-8,10-13,18H,2,9,14H2,1H3,(H,25,26)/b19-17-/t18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl2 protein by fluorescence polarization assay


Bioorg Med Chem 15: 2167-76 (2007)


Article DOI: 10.1016/j.bmc.2006.12.020
BindingDB Entry DOI: 10.7270/Q28W3F4C
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50136568
PNG
(CHEMBL3754570)
Show SMILES COc1ccc(CC\C(O)=C2/C(=O)C(CC=C(C)C)=C3OC(C)(C)C=CC3(CC=C(C)C)C2=O)cc1O
Show InChI InChI=1S/C31H38O6/c1-19(2)8-11-22-27(34)26(23(32)12-9-21-10-13-25(36-7)24(33)18-21)28(35)31(15-14-20(3)4)17-16-30(5,6)37-29(22)31/h8,10,13-14,16-18,32-33H,9,11-12,15H2,1-7H3/b26-23-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.23E+4n/an/an/an/an/an/an/an/a



Qiqihar University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot


Bioorg Med Chem Lett 26: 318-21 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.021
BindingDB Entry DOI: 10.7270/Q2C82C4W
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50202275
PNG
(2-[5-(1-phenylbutylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES CCC\C(=C1\SC(=S)N([C@@H](CC(C)C)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C19H23NO3S2/c1-4-8-14(13-9-6-5-7-10-13)16-17(21)20(19(24)25-16)15(18(22)23)11-12(2)3/h5-7,9-10,12,15H,4,8,11H2,1-3H3,(H,22,23)/b16-14-/t15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.35E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl2 protein by fluorescence polarization assay


Bioorg Med Chem 15: 2167-76 (2007)


Article DOI: 10.1016/j.bmc.2006.12.020
BindingDB Entry DOI: 10.7270/Q28W3F4C
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50202277
PNG
((S)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O
Show InChI InChI=1S/C19H14BrNO3S2/c20-14-8-6-13(7-9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,23,24)/b16-11-/t15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.42E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl2 protein by fluorescence polarization assay


Bioorg Med Chem 15: 2167-76 (2007)


Article DOI: 10.1016/j.bmc.2006.12.020
BindingDB Entry DOI: 10.7270/Q28W3F4C
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50269378
PNG
(CHEMBL447311 | apigenin-4'-O-(2''-O-p-coumaroyl)-b...)
Show SMILES OC[C@@H]1O[C@H](Oc2ccc(cc2)-c2cc(O)c3c(cc(O)cc3=O)o2)[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@H]1O
Show InChI InChI=1S/C30H26O12/c31-14-24-27(37)28(38)29(42-25(36)10-3-15-1-6-17(32)7-2-15)30(41-24)39-19-8-4-16(5-9-19)22-13-21(35)26-20(34)11-18(33)12-23(26)40-22/h1-13,24,27-33,35,37-38H,14H2/t24-,27-,28+,29-,30-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.44E+4n/an/an/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) by competitive Lineweaver-burk plot


J Nat Prod 69: 1089-91 (2006)


Article DOI: 10.1021/np060038a
BindingDB Entry DOI: 10.7270/Q2RV0NG6
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50444601
PNG
(CHEMBL3099881)
Show SMILES Nc1ccc2nc(SCc3nc4ccccc4c(=O)n3-c3cccc(c3)C(F)(F)F)[nH]c2c1
Show InChI InChI=1S/C23H16F3N5OS/c24-23(25,26)13-4-3-5-15(10-13)31-20(28-17-7-2-1-6-16(17)21(31)32)12-33-22-29-18-9-8-14(27)11-19(18)30-22/h1-11H,12,27H2,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.50E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-inhibitor complex after 15 to 60 mins by Lin...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50136567
PNG
(CHEMBL3753821)
Show SMILES COc1ccc(CCC(=O)C2=C(O)C(CC=C(C)C)=C3OC(C)(C)C=CC3(CC=C(C)C)C2=O)cc1O
Show InChI InChI=1S/C31H38O6/c1-19(2)8-11-22-27(34)26(23(32)12-9-21-10-13-25(36-7)24(33)18-21)28(35)31(15-14-20(3)4)17-16-30(5,6)37-29(22)31/h8,10,13-14,16-18,33-34H,9,11-12,15H2,1-7H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.76E+4n/an/an/an/an/an/an/an/a



Qiqihar University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot


Bioorg Med Chem Lett 26: 318-21 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.021
BindingDB Entry DOI: 10.7270/Q2C82C4W
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM23223
PNG
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.77E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Bioorg Med Chem 15: 2167-76 (2007)


Article DOI: 10.1016/j.bmc.2006.12.020
BindingDB Entry DOI: 10.7270/Q28W3F4C
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50442402
PNG
(FLEMINGSIN)
Show SMILES COc1cc(ccc1O)-c1coc2c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c2c1=O
Show InChI InChI=1S/C26H28O6/c1-14(2)6-9-17-23(28)18(10-7-15(3)4)26-22(24(17)29)25(30)19(13-32-26)16-8-11-20(27)21(12-16)31-5/h6-8,11-13,27-29H,9-10H2,1-5H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.92E+4n/an/an/an/an/an/an/an/a



Qiqihar University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot


Bioorg Med Chem Lett 26: 318-21 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.021
BindingDB Entry DOI: 10.7270/Q2C82C4W
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50202282
PNG
(2-[5-(1-phenylethylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES CC(C)C[C@H](N1C(=S)S\C(=C(\C)c2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C17H19NO3S2/c1-10(2)9-13(16(20)21)18-15(19)14(23-17(18)22)11(3)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3,(H,20,21)/b14-11-/t13-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.12E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl2 protein by fluorescence polarization assay


Bioorg Med Chem 15: 2167-76 (2007)


Article DOI: 10.1016/j.bmc.2006.12.020
BindingDB Entry DOI: 10.7270/Q28W3F4C
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50202277
PNG
((S)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O
Show InChI InChI=1S/C19H14BrNO3S2/c20-14-8-6-13(7-9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,23,24)/b16-11-/t15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.15E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Bioorg Med Chem 15: 2167-76 (2007)


Article DOI: 10.1016/j.bmc.2006.12.020
BindingDB Entry DOI: 10.7270/Q28W3F4C
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50202275
PNG
(2-[5-(1-phenylbutylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES CCC\C(=C1\SC(=S)N([C@@H](CC(C)C)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C19H23NO3S2/c1-4-8-14(13-9-6-5-7-10-13)16-17(21)20(19(24)25-16)15(18(22)23)11-12(2)3/h5-7,9-10,12,15H,4,8,11H2,1-3H3,(H,22,23)/b16-14-/t15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.41E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Bioorg Med Chem 15: 2167-76 (2007)


Article DOI: 10.1016/j.bmc.2006.12.020
BindingDB Entry DOI: 10.7270/Q28W3F4C
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50442397
PNG
(OSAJIN)
Show SMILES CC(C)=CCc1c(O)c2c(occ(-c3ccc(O)cc3)c2=O)c2C=CC(C)(C)Oc12
Show InChI InChI=1S/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.99E+4n/an/an/an/an/an/an/an/a



Qiqihar University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot


Bioorg Med Chem Lett 26: 318-21 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.021
BindingDB Entry DOI: 10.7270/Q2C82C4W
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50202283
PNG
(2-[5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES CC(C)C[C@H](N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
Show InChI InChI=1S/C16H16BrNO3S2/c1-9(2)7-12(15(20)21)18-14(19)13(23-16(18)22)8-10-3-5-11(17)6-4-10/h3-6,8-9,12H,7H2,1-2H3,(H,20,21)/b13-8-/t12-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.12E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Bioorg Med Chem 15: 2167-76 (2007)


Article DOI: 10.1016/j.bmc.2006.12.020
BindingDB Entry DOI: 10.7270/Q28W3F4C
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50202272
PNG
(2-[5-(1-phenylbutylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES CCC\C(=C1\SC(=S)N([C@@H](Cc2ccccc2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C22H21NO3S2/c1-2-9-17(16-12-7-4-8-13-16)19-20(24)23(22(27)28-19)18(21(25)26)14-15-10-5-3-6-11-15/h3-8,10-13,18H,2,9,14H2,1H3,(H,25,26)/b19-17-/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.11E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Bioorg Med Chem 15: 2167-76 (2007)


Article DOI: 10.1016/j.bmc.2006.12.020
BindingDB Entry DOI: 10.7270/Q28W3F4C
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50202280
PNG
(2-[5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES CC(C)C(N1C(=S)S\C(=C\c2ccc(Br)cc2)C1=O)C(O)=O
Show InChI InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7+
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.34E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl2 protein by fluorescence polarization assay


Bioorg Med Chem 15: 2167-76 (2007)


Article DOI: 10.1016/j.bmc.2006.12.020
BindingDB Entry DOI: 10.7270/Q28W3F4C
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50444601
PNG
(CHEMBL3099881)
Show SMILES Nc1ccc2nc(SCc3nc4ccccc4c(=O)n3-c3cccc(c3)C(F)(F)F)[nH]c2c1
Show InChI InChI=1S/C23H16F3N5OS/c24-23(25,26)13-4-3-5-15(10-13)31-20(28-17-7-2-1-6-16(17)21(31)32)12-33-22-29-18-9-8-14(27)11-19(18)30-22/h1-11H,12,27H2,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.40E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-substrate-inhibitor complex after 15 to 60 m...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50134713
PNG
(CHEMBL3746757)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)ccc(c1O)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-13,26-29H,4,6,8H2,1-3H3/b15-7+
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.97E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Bur...


Bioorg Med Chem 24: 153-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.040
BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50444600
PNG
(CHEMBL1462676)
Show SMILES CNC(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C22H18N4O2/c1-23-22(28)15-6-10-16(11-7-15)24-21-19-5-3-2-4-18(19)20(25-26-21)14-8-12-17(27)13-9-14/h2-13,27H,1H3,(H,23,28)(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.00E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-inhibitor complex after 15 to 60 mins by Lin...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50442395
PNG
(CHEMBL2442951)
Show SMILES CC(C)=CCc1c(O)c2OC(C)(C)C=Cc2cc1-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C25H24O6/c1-13(2)5-6-16-17(9-14-7-8-25(3,4)31-24(14)23(16)29)18-12-30-20-11-15(26)10-19(27)21(20)22(18)28/h5,7-12,26-27,29H,6H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.30E+4n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as...


Bioorg Med Chem 21: 6398-404 (2013)


Article DOI: 10.1016/j.bmc.2013.08.049
BindingDB Entry DOI: 10.7270/Q2Z89DVN
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50202269
PNG
(2-[5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O
Show InChI InChI=1S/C21H15BrN2O3S2/c22-14-7-5-12(6-8-14)9-18-19(25)24(21(28)29-18)17(20(26)27)10-13-11-23-16-4-2-1-3-15(13)16/h1-9,11,17,23H,10H2,(H,26,27)/b18-9-/t17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.42E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Bioorg Med Chem 15: 2167-76 (2007)


Article DOI: 10.1016/j.bmc.2006.12.020
BindingDB Entry DOI: 10.7270/Q28W3F4C
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50444598
PNG
(CHEMBL3099878)
Show SMILES COc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCOCC1
Show InChI InChI=1S/C23H22N4O4/c1-29-21-13-16(6-7-20(21)31-15-22(28)27-8-10-30-11-9-27)12-17(14-24)23-25-18-4-2-3-5-19(18)26-23/h2-7,12-13H,8-11,15H2,1H3,(H,25,26)/b17-12-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.50E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-inhibitor complex after 15 to 60 mins by Lin...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50134711
PNG
(CHEMBL3746307)
Show SMILES COc1cc(O)ccc1C1COc2cc3OC(C)(C)C=Cc3c(O)c2C1=O
Show InChI InChI=1S/C21H20O6/c1-21(2)7-6-13-16(27-21)9-17-18(19(13)23)20(24)14(10-26-17)12-5-4-11(22)8-15(12)25-3/h4-9,14,22-23H,10H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
5.67E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 to 60 mins by Lineweaver-Burk and ...


Bioorg Med Chem 24: 153-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.040
BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 2496 total )  |  Next  |  Last  >>
Jump to: