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Compile Data Set for Download or QSAR

Found 317 hits with Last Name = 'liu' and Initial = 'yc'   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078163
PNG
(CHEMBL3417704)
Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCOCC4)c23)cc1 |(-21.22,-16.71,;-19.99,-16.7,;-19.36,-17.76,;-19.23,-15.36,;-19.85,-14.3,;-20.46,-15.37,;-17.68,-15.35,;-16.91,-16.68,;-15.37,-16.67,;-14.6,-15.33,;-15.38,-14,;-16.92,-14.01,;-13.06,-15.32,;-12.28,-16.64,;-10.74,-16.63,;-9.98,-15.29,;-8.44,-15.28,;-7.69,-13.93,;-6.15,-13.92,;-5.26,-12.68,;-3.79,-13.11,;-2.81,-12.36,;-3.77,-14.65,;-5.22,-15.15,;-5.58,-16.33,;-5.74,-11.22,;-7.27,-10.9,;-7.75,-9.44,;-6.72,-8.27,;-5.21,-8.6,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.57,;-1.29,-8.05,;-.35,-8.85,;-1.06,-6.84,;-3.2,-10.04,;-2.28,-11.27,;-.75,-11.09,;.17,-12.33,;1.7,-12.15,;2.62,-13.39,;2.01,-14.8,;.48,-14.98,;-.44,-13.74,;-4.73,-10.05,;-10.76,-13.96,;-12.3,-13.98,)|
Show InChI InChI=1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,9,15,21-32H2,1-4H3,(H,54,55)
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4.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02047
BindingDB Entry DOI: 10.7270/Q22J6GKF
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50004708
PNG
(FLUMETSULAM)
Show SMILES Cc1ccn2nc(nc2n1)S(=O)(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C12H9F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6,18H,1H3
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360n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487171
PNG
(CHEMBL2251948)
Show SMILES COC(=O)c1cccc(Cl)c1NS(=O)(=O)c1nc2c(Cl)c(C)nc(C)n2n1
Show InChI InChI=1S/C15H13Cl2N5O4S/c1-7-11(17)13-19-15(20-22(13)8(2)18-7)27(24,25)21-12-9(14(23)26-3)5-4-6-10(12)16/h4-6,21H,1-3H3
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1.29E+3n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487177
PNG
(CHEMBL2251959)
Show SMILES COC(=O)c1cccc(Cl)c1NS(=O)(=O)c1nc2nc(OC)ccn2n1
Show InChI InChI=1S/C14H12ClN5O5S/c1-24-10-6-7-20-13(16-10)17-14(18-20)26(22,23)19-11-8(12(21)25-2)4-3-5-9(11)15/h3-7,19H,1-2H3
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1.61E+3n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50560862
PNG
(CHEMBL4796830)
Show SMILES C(Cn1c2ccccc2c2ccnc(-c3ccccn3)c12)c1ccccc1
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3.13E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02047
BindingDB Entry DOI: 10.7270/Q22J6GKF
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human SARS coronavirus (SARS-CoV))
BDBM31712
PNG
(HEXACHLOROPHENE | Hexach-lorophene | MLS000028433 ...)
Show SMILES Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
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PubMed
4.00E+3n/an/an/an/an/an/an/an/a



National Taiwan University



Assay Description
Kinetic parameters were obtained using various concentrations of FRET peptide in the fluorescent assay. The maximal velocity (Vmax) and Michaelis–Men...


Biochem Biophys Res Commun 333: 194-9 (2005)


Article DOI: 10.1016/j.bbrc.2005.05.095
BindingDB Entry DOI: 10.7270/Q2N58PRD
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50560861
PNG
(CHEMBL4757050)
Show SMILES Cc1ccc(Cn2c3ccccc3c3ccnc(-c4ccccn4)c23)cc1
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4.93E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02047
BindingDB Entry DOI: 10.7270/Q22J6GKF
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487169
PNG
(CHEMBL2251950)
Show SMILES Cc1nc(cc2nc(nn12)S(=O)(=O)Nc1c(Cl)cccc1Cl)C(F)(F)F
Show InChI InChI=1S/C13H8Cl2F3N5O2S/c1-6-19-9(13(16,17)18)5-10-20-12(21-23(6)10)26(24,25)22-11-7(14)3-2-4-8(11)15/h2-5,22H,1H3
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5.02E+3n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50560860
PNG
(CHEMBL4758555)
Show SMILES Fc1ccc(Cn2c3ccccc3c3ccnc(-c4ccccn4)c23)cc1
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5.52E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02047
BindingDB Entry DOI: 10.7270/Q22J6GKF
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50560859
PNG
(CHEMBL4744295)
Show SMILES C(c1ccccc1)n1c2ccccc2c2ccnc(-c3ccccn3)c12
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6.13E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02047
BindingDB Entry DOI: 10.7270/Q22J6GKF
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50560865
PNG
(CHEMBL4778579)
Show SMILES C(c1ccc2ccccc2c1)n1c2ccccc2c2ccnc(-c3ccccn3)c12
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6.61E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02047
BindingDB Entry DOI: 10.7270/Q22J6GKF
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487162
PNG
(CHEMBL2251953)
Show SMILES Cc1cc2nc(nn2c(C)n1)S(=O)(=O)Nc1cc(Cl)ccc1C
Show InChI InChI=1S/C14H14ClN5O2S/c1-8-4-5-11(15)7-12(8)19-23(21,22)14-17-13-6-9(2)16-10(3)20(13)18-14/h4-7,19H,1-3H3
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7.75E+3n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50560867
PNG
(CHEMBL4794980)
Show SMILES C(Cn1c2ccccc2c2ccnc(-c3ccccn3)c12)OCc1ccccc1
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7.88E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02047
BindingDB Entry DOI: 10.7270/Q22J6GKF
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50560868
PNG
(CHEMBL4748351)
Show SMILES CCOCCn1c2ccccc2c2ccnc(-c3ccccn3)c12
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02047
BindingDB Entry DOI: 10.7270/Q22J6GKF
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50560866
PNG
(CHEMBL4760810)
Show SMILES C(Cn1c2ccccc2c2ccnc(-c3ccccn3)c12)Oc1ccccc1
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02047
BindingDB Entry DOI: 10.7270/Q22J6GKF
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50560864
PNG
(CHEMBL4777267)
Show SMILES C(C1CC1)n1c2ccccc2c2ccnc(-c3ccccn3)c12
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02047
BindingDB Entry DOI: 10.7270/Q22J6GKF
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50560863
PNG
(CHEMBL4743955)
Show SMILES CCn1c2ccccc2c2ccnc(-c3ccccn3)c12
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02047
BindingDB Entry DOI: 10.7270/Q22J6GKF
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50560858
PNG
(CHEMBL4578154)
Show SMILES c1ccc(nc1)-c1nccc2c3ccccc3[nH]c12
PDB
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02047
BindingDB Entry DOI: 10.7270/Q22J6GKF
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487176
PNG
(CHEMBL2251938)
Show SMILES COc1ccn2nc(nc2n1)S(=O)(=O)Nc1cccc(Cl)c1Cl
Show InChI InChI=1S/C12H9Cl2N5O3S/c1-22-9-5-6-19-11(15-9)16-12(17-19)23(20,21)18-8-4-2-3-7(13)10(8)14/h2-6,18H,1H3
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1.48E+4n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487168
PNG
(CHEMBL2251955)
Show SMILES COc1ccn2nc(nc2n1)S(=O)(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C12H9F2N5O3S/c1-22-9-5-6-19-11(15-9)16-12(17-19)23(20,21)18-10-7(13)3-2-4-8(10)14/h2-6,18H,1H3
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1.85E+4n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487175
PNG
(CHEMBL2251939)
Show SMILES COc1ccn2nc(nc2n1)S(=O)(=O)Nc1ccccc1Br
Show InChI InChI=1S/C12H10BrN5O3S/c1-21-10-6-7-18-11(14-10)15-12(16-18)22(19,20)17-9-5-3-2-4-8(9)13/h2-7,17H,1H3
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2.26E+4n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487165
PNG
(CHEMBL2251943)
Show SMILES Cc1nc(C)n2nc(nc2c1Cl)S(=O)(=O)Nc1ccccc1F
Show InChI InChI=1S/C13H11ClFN5O2S/c1-7-11(14)12-17-13(18-20(12)8(2)16-7)23(21,22)19-10-6-4-3-5-9(10)15/h3-6,19H,1-2H3
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2.58E+4n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487181
PNG
(CHEMBL2251958)
Show SMILES COc1ccn2nc(nc2n1)S(=O)(=O)Nc1ccccc1F
Show InChI InChI=1S/C12H10FN5O3S/c1-21-10-6-7-18-11(14-10)15-12(16-18)22(19,20)17-9-5-3-2-4-8(9)13/h2-7,17H,1H3
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2.59E+4n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487166
PNG
(CHEMBL2251947)
Show SMILES Cc1cc2nc(nn2c(C)n1)S(=O)(=O)Nc1ccccc1F
Show InChI InChI=1S/C13H12FN5O2S/c1-8-7-12-16-13(17-19(12)9(2)15-8)22(20,21)18-11-6-4-3-5-10(11)14/h3-7,18H,1-2H3
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2.77E+4n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487182
PNG
(CHEMBL2251954)
Show SMILES Cc1cc2nc(nn2c(C)n1)S(=O)(=O)Nc1cc(F)ccc1F
Show InChI InChI=1S/C13H11F2N5O2S/c1-7-5-12-17-13(18-20(12)8(2)16-7)23(21,22)19-11-6-9(14)3-4-10(11)15/h3-6,19H,1-2H3
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2.81E+4n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487167
PNG
(CHEMBL2251957)
Show SMILES COc1ccn2nc(nc2n1)S(=O)(=O)Nc1cc(F)ccc1F
Show InChI InChI=1S/C12H9F2N5O3S/c1-22-10-4-5-19-11(15-10)16-12(17-19)23(20,21)18-9-6-7(13)2-3-8(9)14/h2-6,18H,1H3
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5.33E+4n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487173
PNG
(CHEMBL2251942)
Show SMILES Cc1nc(cc2nc(nn12)S(=O)(=O)Nc1c(F)cccc1F)C(F)(F)F
Show InChI InChI=1S/C13H8F5N5O2S/c1-6-19-9(13(16,17)18)5-10-20-12(21-23(6)10)26(24,25)22-11-7(14)3-2-4-8(11)15/h2-5,22H,1H3
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7.06E+4n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487179
PNG
(CHEMBL2251952)
Show SMILES Cc1cc2nc(nn2c(C)n1)S(=O)(=O)Nc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C14H11ClF3N5O2S/c1-7-5-12-20-13(21-23(12)8(2)19-7)26(24,25)22-11-4-3-9(6-10(11)15)14(16,17)18/h3-6,22H,1-2H3
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1.78E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487170
PNG
(CHEMBL2251949)
Show SMILES Cc1nc(cc2nc(nn12)S(=O)(=O)Nc1ccccc1F)C(F)(F)F
Show InChI InChI=1S/C13H9F4N5O2S/c1-7-18-10(13(15,16)17)6-11-19-12(20-22(7)11)25(23,24)21-9-5-3-2-4-8(9)14/h2-6,21H,1H3
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5.69E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487163
PNG
(CHEMBL2251946)
Show SMILES Cc1nc(C)n2nc(nc2c1Cl)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11ClF3N5O2S/c1-7-11(15)12-20-13(21-23(12)8(2)19-7)26(24,25)22-10-5-3-9(4-6-10)14(16,17)18/h3-6,22H,1-2H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487178
PNG
(CHEMBL2251956)
Show SMILES COc1ccn2nc(nc2n1)S(=O)(=O)Nc1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C12H8F3N5O3S/c1-23-9-2-3-20-11(16-9)17-12(18-20)24(21,22)19-6-4-7(13)10(15)8(14)5-6/h2-5,19H,1H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487174
PNG
(CHEMBL2251941)
Show SMILES Cc1nc(C)n2nc(nc2c1Cl)S(=O)(=O)Nc1ccc(F)c(F)c1F
Show InChI InChI=1S/C13H9ClF3N5O2S/c1-5-9(14)12-19-13(20-22(12)6(2)18-5)25(23,24)21-8-4-3-7(15)10(16)11(8)17/h3-4,21H,1-2H3
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Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487183
PNG
(CHEMBL2251945)
Show SMILES Cc1nc(cc2nc(nn12)S(=O)(=O)Nc1ccc(F)c(F)c1F)C(F)(F)F
Show InChI InChI=1S/C13H7F6N5O2S/c1-5-20-8(13(17,18)19)4-9-21-12(22-24(5)9)27(25,26)23-7-3-2-6(14)10(15)11(7)16/h2-4,23H,1H3
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Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487180
PNG
(CHEMBL2251940)
Show SMILES COc1ccn2nc(nc2n1)S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C13H10F3N5O4S/c1-24-10-6-7-21-11(17-10)18-12(19-21)26(22,23)20-8-2-4-9(5-3-8)25-13(14,15)16/h2-7,20H,1H3
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Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487172
PNG
(CHEMBL2251944)
Show SMILES Cc1cc2nc(nn2c(C)n1)S(=O)(=O)Nc1ccc(F)c(F)c1F
Show InChI InChI=1S/C13H10F3N5O2S/c1-6-5-10-18-13(19-21(10)7(2)17-6)24(22,23)20-9-4-3-8(14)11(15)12(9)16/h3-5,20H,1-2H3
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Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487164
PNG
(CHEMBL2251937)
Show SMILES COc1ccn2nc(nc2n1)S(=O)(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C12H10BrN5O3S/c1-21-10-6-7-18-11(14-10)15-12(16-18)22(19,20)17-9-4-2-8(13)3-5-9/h2-7,17H,1H3
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Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 8


(Homo sapiens (Human))
BDBM50243294
PNG
(CHEMBL4094513)
Show SMILES CN(CCN)Cc1ccccc1Sc1ccccc1Cl
Show InChI InChI=1S/C16H19ClN2S/c1-19(11-10-18)12-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)17/h2-9H,10-12,18H2,1H3
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n/an/a 1.10n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of PRMT8 (unknown origin) incubated for 15 mins followed by substrate addition measured after 60 mins by AlphaLisa method


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50243294
PNG
(CHEMBL4094513)
Show SMILES CN(CCN)Cc1ccccc1Sc1ccccc1Cl
Show InChI InChI=1S/C16H19ClN2S/c1-19(11-10-18)12-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)17/h2-9H,10-12,18H2,1H3
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n/an/a 1.10n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) incubated for 15 mins followed by substrate addition ...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50243294
PNG
(CHEMBL4094513)
Show SMILES CN(CCN)Cc1ccccc1Sc1ccccc1Cl
Show InChI InChI=1S/C16H19ClN2S/c1-19(11-10-18)12-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)17/h2-9H,10-12,18H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of PRMT6 (unknown origin) incubated for 15 mins followed by substrate addition measured after 60 mins by AlphaLisa method


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50243294
PNG
(CHEMBL4094513)
Show SMILES CN(CCN)Cc1ccccc1Sc1ccccc1Cl
Show InChI InChI=1S/C16H19ClN2S/c1-19(11-10-18)12-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)17/h2-9H,10-12,18H2,1H3
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n/an/a 5.30n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Rattus norvegicus)
BDBM50243295
PNG
(CHEMBL4084293)
Show SMILES CNCCN(C)Cc1ccccc1Sc1ccccc1Cl
Show InChI InChI=1S/C17H21ClN2S/c1-19-11-12-20(2)13-14-7-3-5-9-16(14)21-17-10-6-4-8-15(17)18/h3-10,19H,11-13H2,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078163
PNG
(CHEMBL3417704)
Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCOCC4)c23)cc1 |(-21.22,-16.71,;-19.99,-16.7,;-19.36,-17.76,;-19.23,-15.36,;-19.85,-14.3,;-20.46,-15.37,;-17.68,-15.35,;-16.91,-16.68,;-15.37,-16.67,;-14.6,-15.33,;-15.38,-14,;-16.92,-14.01,;-13.06,-15.32,;-12.28,-16.64,;-10.74,-16.63,;-9.98,-15.29,;-8.44,-15.28,;-7.69,-13.93,;-6.15,-13.92,;-5.26,-12.68,;-3.79,-13.11,;-2.81,-12.36,;-3.77,-14.65,;-5.22,-15.15,;-5.58,-16.33,;-5.74,-11.22,;-7.27,-10.9,;-7.75,-9.44,;-6.72,-8.27,;-5.21,-8.6,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.57,;-1.29,-8.05,;-.35,-8.85,;-1.06,-6.84,;-3.2,-10.04,;-2.28,-11.27,;-.75,-11.09,;.17,-12.33,;1.7,-12.15,;2.62,-13.39,;2.01,-14.8,;.48,-14.98,;-.44,-13.74,;-4.73,-10.05,;-10.76,-13.96,;-12.3,-13.98,)|
Show InChI InChI=1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,9,15,21-32H2,1-4H3,(H,54,55)
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n/an/a 8.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal biotin-labeled BIM BH3 peptide (141 to 166 residues) binding to His-tagged Mcl-1 (171 to 327 residues) (unknown origin) expr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02047
BindingDB Entry DOI: 10.7270/Q22J6GKF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151611
PNG
(SP-2509 | US11433053, Example HCI-2509 | US8987335...)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+
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n/an/a 11n/an/an/an/a7.525



China Pharmaceutical University



Assay Description
The LSD1 screening biochemical assay was performed by Shanghai ChemPartner Co. Ltd and the detailed protocol was shown as followed. The AlphaLISA ass...


Bioorg Chem 72: 182-189 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.006
BindingDB Entry DOI: 10.7270/Q2PC3179
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078163
PNG
(CHEMBL3417704)
Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCOCC4)c23)cc1 |(-21.22,-16.71,;-19.99,-16.7,;-19.36,-17.76,;-19.23,-15.36,;-19.85,-14.3,;-20.46,-15.37,;-17.68,-15.35,;-16.91,-16.68,;-15.37,-16.67,;-14.6,-15.33,;-15.38,-14,;-16.92,-14.01,;-13.06,-15.32,;-12.28,-16.64,;-10.74,-16.63,;-9.98,-15.29,;-8.44,-15.28,;-7.69,-13.93,;-6.15,-13.92,;-5.26,-12.68,;-3.79,-13.11,;-2.81,-12.36,;-3.77,-14.65,;-5.22,-15.15,;-5.58,-16.33,;-5.74,-11.22,;-7.27,-10.9,;-7.75,-9.44,;-6.72,-8.27,;-5.21,-8.6,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.57,;-1.29,-8.05,;-.35,-8.85,;-1.06,-6.84,;-3.2,-10.04,;-2.28,-11.27,;-.75,-11.09,;.17,-12.33,;1.7,-12.15,;2.62,-13.39,;2.01,-14.8,;.48,-14.98,;-.44,-13.74,;-4.73,-10.05,;-10.76,-13.96,;-12.3,-13.98,)|
Show InChI InChI=1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,9,15,21-32H2,1-4H3,(H,54,55)
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotinylated Bim peptide (81 to 106 residues) binding to His-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherich...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02047
BindingDB Entry DOI: 10.7270/Q22J6GKF
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))
BDBM50396980
PNG
(CHEMBL2171169)
Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C27H40N8O4/c1-16(2)34(12-6-11-29-26(38)33-18-9-7-17(8-10-18)27(3,4)5)13-19-21(36)22(37)25(39-19)35-15-32-20-23(28)30-14-31-24(20)35/h7-10,14-16,19,21-22,25,36-37H,6,11-13H2,1-5H3,(H2,28,30,31)(H2,29,33,38)/t19-,21-,22-,25-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



University of Science and Technology of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-SUMO tagged DOT1L (1 to 416 residues) expressed in Escherichia coli BL21(DE3) using oligonucleosome as substrate...


Bioorg Med Chem 26: 1751-1758 (2018)


Article DOI: 10.1016/j.bmc.2018.02.020
BindingDB Entry DOI: 10.7270/Q2319ZHM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine N-methyltransferase 3


(Homo sapiens)
BDBM50243294
PNG
(CHEMBL4094513)
Show SMILES CN(CCN)Cc1ccccc1Sc1ccccc1Cl
Show InChI InChI=1S/C16H19ClN2S/c1-19(11-10-18)12-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)17/h2-9H,10-12,18H2,1H3
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n/an/a 22n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of PRMT3 (unknown origin) incubated for 15 mins followed by substrate addition measured after 60 mins by AlphaLisa method


J Med Chem 60: 8888-8905 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01134
BindingDB Entry DOI: 10.7270/Q27D2XHK
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50242394
PNG
(CHEMBL4074788)
Show SMILES Cc1nc2c(ncnc2n1Cc1ccc(cc1)-c1ccccc1Cl)N1CCOCC1
Show InChI InChI=1S/C23H22ClN5O/c1-16-27-21-22(28-10-12-30-13-11-28)25-15-26-23(21)29(16)14-17-6-8-18(9-7-17)19-4-2-3-5-20(19)24/h2-9,15H,10-14H2,1H3
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n/an/a 38n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDE10A1 (2 to 789 residues) expressed in baculovirus infected Sf9 cells using fluorescein-label...


Bioorg Med Chem 25: 3315-3329 (2017)


Article DOI: 10.1016/j.bmc.2017.04.019
BindingDB Entry DOI: 10.7270/Q25X2CB8
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50242395
PNG
(CHEMBL4079798)
Show SMILES Cc1nc2c(ncnc2n1Cc1ccc(cc1)-c1ccnc(C)c1)N1CCOCC1
Show InChI InChI=1S/C23H24N6O/c1-16-13-20(7-8-24-16)19-5-3-18(4-6-19)14-29-17(2)27-21-22(25-15-26-23(21)29)28-9-11-30-12-10-28/h3-8,13,15H,9-12,14H2,1-2H3
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n/an/a 56n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDE10A1 (2 to 789 residues) expressed in baculovirus infected Sf9 cells using fluorescein-label...


Bioorg Med Chem 25: 3315-3329 (2017)


Article DOI: 10.1016/j.bmc.2017.04.019
BindingDB Entry DOI: 10.7270/Q25X2CB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071105
PNG
(CHEMBL3410003)
Show SMILES O=C(Nc1cc(cc(c1)S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1)C1CC1
Show InChI InChI=1S/C18H21N3O4S2/c22-17(11-5-6-11)19-14-7-12(16-10-26-18(23)20-16)8-15(9-14)27(24,25)21-13-3-1-2-4-13/h7-11,13,21H,1-6H2,(H,19,22)(H,20,23)
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n/an/a 60n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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