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Compile Data Set for Download or QSAR

Found 986 hits with Last Name = 'jung' and Initial = 'sh'   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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 0.00230n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate

Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50220995
PNG
(CHEMBL77788)
Show SMILES COc1ccc(\C=N\NC(C)=O)cc1OC1CCCC1
Show InChI InChI=1S/C15H20N2O3/c1-11(18)17-16-10-12-7-8-14(19-2)15(9-12)20-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,17,18)/b16-10+
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 0.0190n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate

Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50221005
PNG
(CHEMBL75684)
Show SMILES CCC(=O)N\N=C(/C)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C17H24N2O3/c1-4-17(20)19-18-12(2)13-9-10-15(21-3)16(11-13)22-14-7-5-6-8-14/h9-11,14H,4-8H2,1-3H3,(H,19,20)/b18-12+
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 0.0420n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate

Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50220998
PNG
(CHEMBL76382)
Show SMILES COc1ccc(\C=N\N=C(\N)S)cc1OC1CCCC1
Show InChI InChI=1S/C14H19N3O2S/c1-18-12-7-6-10(9-16-17-14(15)20)8-13(12)19-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H3,15,17,20)/b16-9+
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 0.0460n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate

Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50221003
PNG
(CHEMBL432348)
Show SMILES COc1ccc(\C=N\NC(N)=O)cc1OC1CCCC1
Show InChI InChI=1S/C14H19N3O3/c1-19-12-7-6-10(9-16-17-14(15)18)8-13(12)20-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H3,15,17,18)/b16-9+
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 0.0690n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate

Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50220997
PNG
(CHEMBL78237)
Show SMILES COc1ccc(cc1OC1CCCC1)C(\C)=N\NC(C)=O
Show InChI InChI=1S/C16H22N2O3/c1-11(17-18-12(2)19)13-8-9-15(20-3)16(10-13)21-14-6-4-5-7-14/h8-10,14H,4-7H2,1-3H3,(H,18,19)/b17-11+
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 0.0920n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate

Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50221006
PNG
(CHEMBL77358)
Show SMILES COc1ccc(cc1OC1CCCC1)C(\C)=N\NC(N)=O
Show InChI InChI=1S/C15H21N3O3/c1-10(17-18-15(16)19)11-7-8-13(20-2)14(9-11)21-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H3,16,18,19)/b17-10+
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 0.146n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate

Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50220999
PNG
(CHEMBL77745)
Show SMILES COc1ccc(cc1OC1CCCC1)C(\C)=N\N=C(\N)S
Show InChI InChI=1S/C15H21N3O2S/c1-10(17-18-15(16)21)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H3,16,18,21)/b17-10+
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 0.336n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate

Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50220996
PNG
(CHEMBL76635)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\NC(N)=O)\c1ccccc1
Show InChI InChI=1S/C20H23N3O3/c1-25-17-12-11-15(13-18(17)26-16-9-5-6-10-16)19(22-23-20(21)24)14-7-3-2-4-8-14/h2-4,7-8,11-13,16H,5-6,9-10H2,1H3,(H3,21,23,24)/b22-19+
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 1.20n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate

Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50221004
PNG
(CHEMBL77999)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1)-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])\c1ccccc1
Show InChI InChI=1S/C20H24N4O2/c1-25-17-12-11-15(13-18(17)26-16-9-5-6-10-16)19(23-24-20(21)22)14-7-3-2-4-8-14/h2-4,7-8,11-13,16H,5-6,9-10H2,1H3,(H4,21,22,24)/b23-19+
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 1.60n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate

Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50221001
PNG
(CHEMBL76257)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\NC(C)=O)\c1ccccc1
Show InChI InChI=1S/C21H24N2O3/c1-15(24)22-23-21(16-8-4-3-5-9-16)17-12-13-19(25-2)20(14-17)26-18-10-6-7-11-18/h3-5,8-9,12-14,18H,6-7,10-11H2,1-2H3,(H,22,24)/b23-21+
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 2n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate

Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50206002
PNG
((R)-1-(bis(4-fluorophenyl)methyl)-4-(3-(3-(3,4-dim...)
Show SMILES COc1ccc(cc1OC)C1=NO[C@H](CCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)C1 |t:11|
Show InChI InChI=1S/C31H35F2N3O3/c1-37-29-14-9-24(20-30(29)38-2)28-21-27(39-34-28)4-3-15-35-16-18-36(19-17-35)31(22-5-10-25(32)11-6-22)23-7-12-26(33)13-8-23/h5-14,20,27,31H,3-4,15-19,21H2,1-2H3/t27-/m1/s1
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 2.10n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human cloned dopamine D3 receptor expressed in CHO cells

Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50206004
PNG
((R)-1-(3-(3-(3,4-dimethoxyphenyl)-4,5-dihydroisoxa...)
Show SMILES CCOc1ccccc1N1CCN(CCC[C@@H]2CC(=NO2)c2ccc(OC)c(OC)c2)CC1 |c:19|
Show InChI InChI=1S/C26H35N3O4/c1-4-32-24-10-6-5-9-23(24)29-16-14-28(15-17-29)13-7-8-21-19-22(27-33-21)20-11-12-25(30-2)26(18-20)31-3/h5-6,9-12,18,21H,4,7-8,13-17,19H2,1-3H3/t21-/m1/s1
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 2.10n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human cloned dopamine D3 receptor expressed in CHO cells

Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50220993
PNG
(CHEMBL78238)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\N=C(\N)S)\c1ccccc1
Show InChI InChI=1S/C20H23N3O2S/c1-24-17-12-11-15(13-18(17)25-16-9-5-6-10-16)19(22-23-20(21)26)14-7-3-2-4-8-14/h2-4,7-8,11-13,16H,5-6,9-10H2,1H3,(H3,21,23,26)/b22-19+
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 2.30n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate

Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50221007
PNG
(CHEMBL80258)
Show SMILES CCC(=O)N\N=C\c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C16H22N2O3/c1-3-16(19)18-17-11-12-8-9-14(20-2)15(10-12)21-13-6-4-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,18,19)/b17-11+
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 2.70n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate

Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429243
PNG
(jm5b01461, Compound 60)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1cccc(c1)N(C)C)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C35H46N6O6S/c1-20(2)16-27(38-33(45)29(21(3)4)40-35(46)47-19-22-10-9-11-24(17-22)41(5)6)32(44)37-26(18-23-14-15-36-31(23)43)30(42)34-39-25-12-7-8-13-28(25)48-34/h7-13,17,20-21,23,26-27,29H,14-16,18-19H2,1-6H3,(H,36,43)(H,37,44)(H,38,45)(H,40,46)/t23-,26-,27-,29-/m0/s1
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 3.10n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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 3.30n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine receptor D2 long expressed in CHO cells

Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50221002
PNG
(CHEMBL306320)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1)-[#6](\[#6])=[#7]\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C15H22N4O2/c1-10(18-19-15(16)17)11-7-8-13(20-2)14(9-11)21-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H4,16,17,19)/b18-10+
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 3.5n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate

Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50221000
PNG
(CHEMBL431962)
Show SMILES CCC(=O)N\N=C(/c1ccccc1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C22H26N2O3/c1-3-21(25)23-24-22(16-9-5-4-6-10-16)17-13-14-19(26-2)20(15-17)27-18-11-7-8-12-18/h4-6,9-10,13-15,18H,3,7-8,11-12H2,1-2H3,(H,23,25)/b24-22+
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>5n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate

Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50220994
PNG
(CHEMBL77177)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#7]\[#7]=[#6](/[#7])-[#7])cc1-[#8]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C14H20N4O2/c1-19-12-7-6-10(9-17-18-14(15)16)8-13(12)20-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H4,15,16,18)/b17-9+
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>5n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate

Bioorg Med Chem Lett 13: 2355-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CZ39CG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50206003
PNG
((S)-1-(3-(3-(3,4-dimethoxyphenyl)-4,5-dihydroisoxa...)
Show SMILES CCOc1ccccc1N1CCN(CCC[C@H]2CC(=NO2)c2ccc(OC)c(OC)c2)CC1 |c:19|
Show InChI InChI=1S/C26H35N3O4/c1-4-32-24-10-6-5-9-23(24)29-16-14-28(15-17-29)13-7-8-21-19-22(27-33-21)20-11-12-25(30-2)26(18-20)31-3/h5-6,9-12,18,21H,4,7-8,13-17,19H2,1-3H3/t21-/m0/s1
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 5.10n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human cloned dopamine D3 receptor expressed in CHO cells

Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429242
PNG
(acs.jmedchem.1c00409_ST.4 | jm5b01461, Compound 59)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C30H33N5O5S/c1-16(2)13-22(34-29(39)23-15-18-19(32-23)8-6-9-24(18)40-3)28(38)33-21(14-17-11-12-31-27(17)37)26(36)30-35-20-7-4-5-10-25(20)41-30/h4-10,15-17,21-22,32H,11-14H2,1-3H3,(H,31,37)(H,33,38)(H,34,39)/t17-,21-,22-/m0/s1
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 6n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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 6.40n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human cloned dopamine D3 receptor expressed in CHO cells

Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429296
PNG
(jm5b01461, Compound 116)
Show SMILES O=C(On1nnc2ccccc12)C(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C16H10N4O3/c21-15(11-5-6-12-10(9-11)7-8-17-12)16(22)23-20-14-4-2-1-3-13(14)18-19-20/h1-9,17H
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 7.5n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429294
PNG
(jm5b01461, Compound 114)
Show SMILES CCN(CC)c1ccc(cc1)C(=O)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C18H18N4O3/c1-3-21(4-2)14-11-9-13(10-12-14)17(23)18(24)25-22-16-8-6-5-7-15(16)19-20-22/h5-12H,3-4H2,1-2H3
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 11n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429293
PNG
(jm5b01461, Compound 113)
Show SMILES CNc1ccc(cc1)C(=O)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C15H12N4O3/c1-16-11-8-6-10(7-9-11)14(20)15(21)22-19-13-5-3-2-4-12(13)17-18-19/h2-9,16H,1H3
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 12n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429297
PNG
(jm5b01461, Compound 117)
Show SMILES O=C(On1nnc2ccccc12)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C16H10N4O3/c21-15(13-9-10-5-1-2-6-11(10)17-13)16(22)23-20-14-8-4-3-7-12(14)18-19-20/h1-9,17H
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 12n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429292
PNG
(jm5b01461, Compound 112)
Show SMILES CN(C)c1ccc(cc1)C(=O)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C16H14N4O3/c1-19(2)12-9-7-11(8-10-12)15(21)16(22)23-20-14-6-4-3-5-13(14)17-18-20/h3-10H,1-2H3
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 17n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM59237
PNG
(Benzotriazole ester, 3 | acs.jmedchem.1c00409_ST.1...)
Show SMILES Nc1ccccc1C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C13H10N4O2/c14-10-6-2-1-5-9(10)13(18)19-17-12-8-4-3-7-11(12)15-16-17/h1-8H,14H2
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 20n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50206005
PNG
((S)-1-(bis(4-fluorophenyl)methyl)-4-(3-(3-(3,4-dim...)
Show SMILES COc1ccc(cc1OC)C1=NO[C@@H](CCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)C1 |t:11|
Show InChI InChI=1S/C31H35F2N3O3/c1-37-29-14-9-24(20-30(29)38-2)28-21-27(39-34-28)4-3-15-35-16-18-36(19-17-35)31(22-5-10-25(32)11-6-22)23-7-12-26(33)13-8-23/h5-14,20,27,31H,3-4,15-19,21H2,1-2H3/t27-/m0/s1
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 20n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human cloned dopamine D3 receptor expressed in CHO cells

Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429295
PNG
(jm5b01461, Compound 115)
Show SMILES O=C(On1nnc2ccccc12)C(=O)c1ccc2[nH]cnc2c1
Show InChI InChI=1S/C15H9N5O3/c21-14(9-5-6-10-12(7-9)17-8-16-10)15(22)23-20-13-4-2-1-3-11(13)18-19-20/h1-8H,(H,16,17)
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 23n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429360
PNG
(acs.jmedchem.1c00409_ST.31 | cmdc.202100576, 4a | ...)
Show SMILES OB(O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1ccc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)B(O)O)cc1
Show InChI InChI=1S/C20H16B2N4O10/c27-19(11-5-13(21(29)30)9-17(7-11)25(33)34)23-15-1-2-16(4-3-15)24-20(28)12-6-14(22(31)32)10-18(8-12)26(35)36/h1-10,29-32H,(H,23,27)(H,24,28)
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 40n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))		BDBM50206821
PNG
((R)-3-amino-1-(2-benzoylpiperazin-1-yl)-4-(2,4,5-t...)
Show SMILES N[C@@H](CC(=O)N1CCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H22F3N3O2/c22-17-13-19(24)18(23)11-15(17)10-16(25)12-20(28)26-8-4-5-9-27(26)21(29)14-6-2-1-3-7-14/h1-3,6-7,11,13,16H,4-5,8-10,12,25H2/t16-/m1/s1
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 44n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of pig kidney DPP4

Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50206004
PNG
((R)-1-(3-(3-(3,4-dimethoxyphenyl)-4,5-dihydroisoxa...)
Show SMILES CCOc1ccccc1N1CCN(CCC[C@@H]2CC(=NO2)c2ccc(OC)c(OC)c2)CC1 |c:19|
Show InChI InChI=1S/C26H35N3O4/c1-4-32-24-10-6-5-9-23(24)29-16-14-28(15-17-29)13-7-8-21-19-22(27-33-21)20-11-12-25(30-2)26(18-20)31-3/h5-6,9-12,18,21H,4,7-8,13-17,19H2,1-3H3/t21-/m1/s1
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 46n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine receptor D2 long expressed in CHO cells

Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM428977
PNG
(jm5b01461, Compound 18)
Show SMILES CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C |w:5.4|
Show InChI InChI=1S/C33H50N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b15-14+/t22?,24-,25+,26+,28-/m0/s1
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 50n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429100
PNG
(MPI8 | jm5b01461, Compound 45)
Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21?,24-,25-,26-,27-/m0/s1
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 53n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))		BDBM50206820
PNG
((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...)
Show SMILES N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1
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 56.2n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of pig kidney DPP4

Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429357
PNG
(JMF158 | jm5b01461, Compound 174)
Show SMILES OC(=O)CC1N[Zn]2(NC(CC(O)=O)C(=O)O2)OC1=O
Show InChI InChI=1S/2C4H6NO4.Zn/c2*5-2(4(8)9)1-3(6)7;/h2*2,5H,1H2,(H,6,7)(H,8,9);/q2*-1;+4/p-2
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 60n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)		BDBM429100
PNG
(MPI8 | jm5b01461, Compound 45)
Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21?,24-,25-,26-,27-/m0/s1
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 68n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50206003
PNG
((S)-1-(3-(3-(3,4-dimethoxyphenyl)-4,5-dihydroisoxa...)
Show SMILES CCOc1ccccc1N1CCN(CCC[C@H]2CC(=NO2)c2ccc(OC)c(OC)c2)CC1 |c:19|
Show InChI InChI=1S/C26H35N3O4/c1-4-32-24-10-6-5-9-23(24)29-16-14-28(15-17-29)13-7-8-21-19-22(27-33-21)20-11-12-25(30-2)26(18-20)31-3/h5-6,9-12,18,21H,4,7-8,13-17,19H2,1-3H3/t21-/m0/s1
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 70n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine receptor D2 long expressed in CHO cells

Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429253
PNG
(jm5b01461, Compound 71)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)[C@@H](O)[C@H](O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C54H66N8O10/c1-31(2)45(61-49(65)33(5)57-53(69)71-29-35-17-9-7-10-18-35)51(67)59-43(25-37-27-55-41-23-15-13-21-39(37)41)47(63)48(64)44(26-38-28-56-42-24-16-14-22-40(38)42)60-52(68)46(32(3)4)62-50(66)34(6)58-54(70)72-30-36-19-11-8-12-20-36/h7-24,27-28,31-34,43-48,55-56,63-64H,25-26,29-30H2,1-6H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,65)(H,62,66)/t33-,34-,43-,44-,45-,46-,47+,48+/m0/s1
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 73n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50206002
PNG
((R)-1-(bis(4-fluorophenyl)methyl)-4-(3-(3-(3,4-dim...)
Show SMILES COc1ccc(cc1OC)C1=NO[C@H](CCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)C1 |t:11|
Show InChI InChI=1S/C31H35F2N3O3/c1-37-29-14-9-24(20-30(29)38-2)28-21-27(39-34-28)4-3-15-35-16-18-36(19-17-35)31(22-5-10-25(32)11-6-22)23-7-12-26(33)13-8-23/h5-14,20,27,31H,3-4,15-19,21H2,1-2H3/t27-/m1/s1
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 80n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine receptor D2 long expressed in CHO cells

Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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 103n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells

Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)		BDBM429100
PNG
(MPI8 | jm5b01461, Compound 45)
Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21?,24-,25-,26-,27-/m0/s1
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 140n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429354
PNG
(jm5b01461, Compound 171)
Show SMILES [O-][n+]1ccccc1S[Zn]Sc1cccc[n+]1[O-]
Show InChI InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2
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 170n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50206003
PNG
((S)-1-(3-(3-(3,4-dimethoxyphenyl)-4,5-dihydroisoxa...)
Show SMILES CCOc1ccccc1N1CCN(CCC[C@H]2CC(=NO2)c2ccc(OC)c(OC)c2)CC1 |c:19|
Show InChI InChI=1S/C26H35N3O4/c1-4-32-24-10-6-5-9-23(24)29-16-14-28(15-17-29)13-7-8-21-19-22(27-33-21)20-11-12-25(30-2)26(18-20)31-3/h5-6,9-12,18,21H,4,7-8,13-17,19H2,1-3H3/t21-/m0/s1
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 225n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells

Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429353
PNG
(jm5b01461, Compound 170)
Show SMILES [O-][N+](=O)O[Hg]c1ccccc1
Show InChI InChI=1S/C6H5.Hg.NO3/c1-2-4-6-5-3-1;;2-1(3)4/h1-5H;;/q;+1;-1
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 300n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429252
PNG
(acs.jmedchem.1c00409_ST.146 | jm5b01461, Compound ...)
Show SMILES O[C@H]([C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)[C@H](O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C38H38N4O6/c43-35(33(19-27-21-39-31-17-9-7-15-29(27)31)41-37(45)47-23-25-11-3-1-4-12-25)36(44)34(20-28-22-40-32-18-10-8-16-30(28)32)42-38(46)48-24-26-13-5-2-6-14-26/h1-18,21-22,33-36,39-40,43-44H,19-20,23-24H2,(H,41,45)(H,42,46)/t33-,34-,35+,36+/m0/s1
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 340n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))		BDBM50205807
PNG
(CHEMBL3978212)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(=O)n(O)c1
Show InChI InChI=1S/C14H9NO5/c16-9-2-3-10-11(6-9)20-12(14(10)18)5-8-1-4-13(17)15(19)7-8/h1-7,16,19H/b12-5-
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 350n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human tyrosinase expressed in baculovirus infected Sf9 cells using L-DOPA as substrate by double-reciprocal plo...

J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))		BDBM50205807
PNG
(CHEMBL3978212)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(=O)n(O)c1
Show InChI InChI=1S/C14H9NO5/c16-9-2-3-10-11(6-9)20-12(14(10)18)5-8-1-4-13(17)15(19)7-8/h1-7,16,19H/b12-5-
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 350n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human tyrosinase expressed in baculovirus infected Sf9 cells using L-DOPA as substrate by double-reciprocal plo...

J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
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