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Compile Data Set for Download or QSAR

Found 191 hits Enz. Inhib. hit(s) with all data for entry = 4151   
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
MPI protein


(Homo sapiens)
BDBM34767
PNG
(MLS000548244 | N-(2,3-Dichloro-1-methoxy-4-oxo-1,4...)
Show SMILES COC1(NS(=O)(=O)c2ccc(C)cc2)C(Cl)=C(Cl)C(=O)c2ccccc12
Show InChI InChI=1S/C18H15Cl2NO4S/c1-11-7-9-12(10-8-11)26(23,24)21-18(25-2)14-6-4-3-5-13(14)16(22)15(19)17(18)20/h3-10,21H,1-2H3
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n/an/a 1.27E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34849
PNG
(6-fluoranyl-2-(2-methylphenyl)-1,2-benzothiazol-3-...)
Show SMILES Cc1ccccc1-n1sc2cc(F)ccc2c1=O
Show InChI InChI=1S/C14H10FNOS/c1-9-4-2-3-5-12(9)16-14(17)11-7-6-10(15)8-13(11)18-16/h2-8H,1H3
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n/an/a 2.91E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM50056938
PNG
(2,6,7-Trihydroxy-9-methyl-xanthen-3-one | CHEMBL17...)
Show SMILES Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
Show InChI InChI=1S/C14H10O5/c1-6-7-2-9(15)11(17)4-13(7)19-14-5-12(18)10(16)3-8(6)14/h2-5,15-17H,1H3
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n/an/a 3.55E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM49784
PNG
(3-(1,3-benzothiazol-2-yl)-1,1-dimethyl-thiourea | ...)
Show SMILES CN(C)C(=S)Nc1nc2ccccc2s1
Show InChI InChI=1S/C10H11N3S2/c1-13(2)10(14)12-9-11-7-5-3-4-6-8(7)15-9/h3-6H,1-2H3,(H,11,12,14)
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n/an/a 3.79E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34879
PNG
((3-chloro-4-ethoxy-5-methoxy-benzyl)-(4-pyrrolidin...)
Show SMILES CCOc1c(Cl)cc(CNc2ccc(cc2)N2CCCC2)cc1OC
Show InChI InChI=1S/C20H25ClN2O2/c1-3-25-20-18(21)12-15(13-19(20)24-2)14-22-16-6-8-17(9-7-16)23-10-4-5-11-23/h6-9,12-13,22H,3-5,10-11,14H2,1-2H3
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n/an/a 3.93E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM53598
PNG
(5-chloranyl-7-[[4-(2-hydroxyethyl)piperazin-1-yl]m...)
Show SMILES OCCN1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1
Show InChI InChI=1S/C16H20ClN3O2/c17-14-10-12(16(22)15-13(14)2-1-3-18-15)11-20-6-4-19(5-7-20)8-9-21/h1-3,10,21-22H,4-9,11H2
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n/an/a 4.09E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34515
PNG
(3-(2,4-dimethoxyphenyl)-6-oxidanylidene-8-(2,4,5-t...)
Show SMILES COc1ccc(N2CSC3=C(C#N)C(CC(=O)N3C2)c2cc(OC)c(OC)cc2OC)c(OC)c1
Show InChI InChI=1S/C25H27N3O6S/c1-30-15-6-7-19(21(8-15)32-3)27-13-28-24(29)10-16(18(12-26)25(28)35-14-27)17-9-22(33-4)23(34-5)11-20(17)31-2/h6-9,11,16H,10,13-14H2,1-5H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM53393
PNG
(3,4,5-trihydroxy-N'-{(1E)-[3-hydroxy-5-(hydrox...)
Show SMILES Cc1ncc(CO)c(CNNC(=O)C2=CC(=O)C(=O)C(=O)C2)c1O
Show InChI InChI=1S/C15H15N3O6/c1-7-13(22)10(9(6-19)4-16-7)5-17-18-15(24)8-2-11(20)14(23)12(21)3-8/h2,4,17,19,22H,3,5-6H2,1H3,(H,18,24)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM33051
PNG
((4-chlorodithiazol-5-ylidene)-(3,4,5-trimethoxyphe...)
Show SMILES COc1cc(cc(OC)c1OC)\N=c1\ssnc1Cl
Show InChI InChI=1S/C11H11ClN2O3S2/c1-15-7-4-6(5-8(16-2)9(7)17-3)13-11-10(12)14-19-18-11/h4-5H,1-3H3/b13-11+
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n/an/a 4.76E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34579
PNG
(4-[[cyclohexyl(methyl)amino]methyl]-3-hydroxy-6-be...)
Show SMILES CN(Cc1c(O)ccc2c3ccccc3c(=O)oc12)C1CCCCC1
Show InChI InChI=1S/C21H23NO3/c1-22(14-7-3-2-4-8-14)13-18-19(23)12-11-16-15-9-5-6-10-17(15)21(24)25-20(16)18/h5-6,9-12,14,23H,2-4,7-8,13H2,1H3
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n/an/a 5.12E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34966
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)-N,N-dimethyl-benz...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C15H14N2O3S2/c1-16(2)22(19,20)12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)21-17/h3-10H,1-2H3
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n/an/a 5.25E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34977
PNG
((4Z)-4-[(2-hydroxyethylamino)methylene]-5-keto-2-m...)
Show SMILES CCOC(=O)c1c(C)oc2c1c(C=NCCO)c(O)c1ccccc21
Show InChI InChI=1S/C19H19NO5/c1-3-24-19(23)15-11(2)25-18-13-7-5-4-6-12(13)17(22)14(16(15)18)10-20-8-9-21/h4-7,10,21-22H,3,8-9H2,1-2H3
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n/an/a 5.36E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM44694
PNG
(1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-3-ylthi...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)CSc1nnc[nH]1
Show InChI InChI=1S/C14H17N3OS/c1-14(2,3)11-6-4-10(5-7-11)12(18)8-19-13-15-9-16-17-13/h4-7,9H,8H2,1-3H3,(H,15,16,17)
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n/an/a 6.08E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM41597
PNG
(2,3-dimethyl-4-{[(phenylsulfonyl)oxy]imino}-2,5-cy...)
Show SMILES CC1=C(C)C(C=CC1=O)=NOS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H13NO4S/c1-10-11(2)14(16)9-8-13(10)15-19-20(17,18)12-6-4-3-5-7-12/h3-9H,1-2H3
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n/an/a 6.61E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34737
PNG
(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Show SMILES Cc1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H11NOS/c1-10-6-8-11(9-7-10)15-14(16)12-4-2-3-5-13(12)17-15/h2-9H,1H3
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n/an/a 6.78E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34827
PNG
(2-(2,5-dinitro-3-thienyl)pyrimidine | 2-(2,5-dinit...)
Show SMILES [O-][N+](=O)c1cc(c(s1)[N+]([O-])=O)-c1ncccn1
Show InChI InChI=1S/C8H4N4O4S/c13-11(14)6-4-5(8(17-6)12(15)16)7-9-2-1-3-10-7/h1-4H
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n/an/a 6.92E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34840
PNG
(MLS000393172 | N'-[(E)-(2,3-dihydroxy-4-keto-cyclo...)
Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)NN=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C18H18N4O4/c1-3-22-10(2)20-13-8-11(4-6-14(13)22)18(26)21-19-9-12-5-7-15(23)17(25)16(12)24/h4-9,23-25H,3H2,1-2H3,(H,21,26)
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n/an/a 7.02E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46606
PNG
(5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2-dihydro-1...)
Show SMILES S=c1[nH]nc([nH]1)C1COc2ccccc2O1
Show InChI InChI=1S/C10H9N3O2S/c16-10-11-9(12-13-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H2,11,12,13,16)
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n/an/a 7.29E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34934
PNG
(2-furancarboxylic acid [4-(4-formyl-2-pyrimidinyl)...)
Show SMILES O=Cc1ccnc(n1)-c1ccc(OC(=O)c2ccco2)cc1
Show InChI InChI=1S/C16H10N2O4/c19-10-12-7-8-17-15(18-12)11-3-5-13(6-4-11)22-16(20)14-2-1-9-21-14/h1-10H
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n/an/a 7.40E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46664
PNG
(3-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dimethyl-t...)
Show SMILES COc1ccc2nc(NC(=S)N(C)C)sc2c1
Show InChI InChI=1S/C11H13N3OS2/c1-14(2)11(16)13-10-12-8-5-4-7(15-3)6-9(8)17-10/h4-6H,1-3H3,(H,12,13,16)
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n/an/a 8.33E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46600
PNG
((4-ethylphenyl)-(6-methyl-2,5-dihydropyrazolo[1,5-...)
Show SMILES CCc1ccc(NC2Nc3cc(C)nn3S2)cc1
Show InChI InChI=1S/C13H16N4S/c1-3-10-4-6-11(7-5-10)14-13-15-12-8-9(2)16-17(12)18-13/h4-8,13-15H,3H2,1-2H3
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n/an/a 8.43E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46607
PNG
(5-(3,4-dimethoxyphenyl)-1,2-dihydro-1,2,4-triazole...)
Show SMILES COc1ccc(cc1OC)-c1n[nH]c(=S)[nH]1
Show InChI InChI=1S/C10H11N3O2S/c1-14-7-4-3-6(5-8(7)15-2)9-11-10(16)13-12-9/h3-5H,1-2H3,(H2,11,12,13,16)
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n/an/a 8.55E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46618
PNG
(1-(4-ethoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)thi...)
Show SMILES CCOc1ccc(NC(=S)Nc2cc(C)n[nH]2)cc1
Show InChI InChI=1S/C13H16N4OS/c1-3-18-11-6-4-10(5-7-11)14-13(19)15-12-8-9(2)16-17-12/h4-8H,3H2,1-2H3,(H3,14,15,16,17,19)
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n/an/a 9.41E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34619
PNG
(6-(diethylamino)-3-methyl-1,4-benzoxazin-2-one | 6...)
Show SMILES CCN(CC)c1ccc2oc(=O)c(C)nc2c1
Show InChI InChI=1S/C13H16N2O2/c1-4-15(5-2)10-6-7-12-11(8-10)14-9(3)13(16)17-12/h6-8H,4-5H2,1-3H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34773
PNG
((2E)-2-[(3-nitroanilino)methylene]tetralin-1-one |...)
Show SMILES [O-][N+](=O)c1cccc(NC=C2CCc3ccccc3C2=O)c1
Show InChI InChI=1S/C17H14N2O3/c20-17-13(9-8-12-4-1-2-7-16(12)17)11-18-14-5-3-6-15(10-14)19(21)22/h1-7,10-11,18H,8-9H2
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n/an/a 1.03E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34719
PNG
(3-Ethyl-2,5,7-trimethyl-benzothiazol-3-ium | 3-eth...)
Show SMILES CC[n+]1c(C)sc2c(C)cc(C)cc12
Show InChI InChI=1S/C12H16NS/c1-5-13-10(4)14-12-9(3)6-8(2)7-11(12)13/h6-7H,5H2,1-4H3/q+1
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n/an/a 1.08E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46598
PNG
((2-ethylphenyl)-(6-methyl-2,5-dihydropyrazolo[1,5-...)
Show SMILES CCc1ccccc1NC1Nc2cc(C)nn2S1
Show InChI InChI=1S/C13H16N4S/c1-3-10-6-4-5-7-11(10)14-13-15-12-8-9(2)16-17(12)18-13/h4-8,13-15H,3H2,1-2H3
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n/an/a 1.09E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM53627
PNG
(1-[[(E)-(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-...)
Show SMILES NC(=S)NN=Cc1cccc(O)c1O
Show InChI InChI=1S/C8H9N3O2S/c9-8(14)11-10-4-5-2-1-3-6(12)7(5)13/h1-4,12-13H,(H3,9,11,14)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM53630
PNG
(2-(5-{[3-(1,3-benzodioxol-5-yl)-2-imino-4-oxo-1,3-...)
Show SMILES OC(=O)c1ccccc1-c1ccc(\C=C2/SC(=N)N(C2=O)c2ccc3OCOc3c2)o1
Show InChI InChI=1S/C22H14N2O6S/c23-22-24(12-5-7-17-18(9-12)29-11-28-17)20(25)19(31-22)10-13-6-8-16(30-13)14-3-1-2-4-15(14)21(26)27/h1-10,23H,11H2,(H,26,27)/b19-10-,23-22?
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n/an/a 1.11E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46597
PNG
((2,4-dimethylphenyl)-(6-methyl-2,5-dihydropyrazolo...)
Show SMILES Cc1cc2NC(Nc3ccc(C)cc3C)Sn2n1
Show InChI InChI=1S/C13H16N4S/c1-8-4-5-11(9(2)6-8)14-13-15-12-7-10(3)16-17(12)18-13/h4-7,13-15H,1-3H3
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n/an/a 1.12E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34346
PNG
(2-(4-methyl-2-pyrimidinyl)-1,2-benzothiazol-3-one ...)
Show SMILES Cc1ccnc(n1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C12H9N3OS/c1-8-6-7-13-12(14-8)15-11(16)9-4-2-3-5-10(9)17-15/h2-7H,1H3
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n/an/a 1.12E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34971
PNG
((4E)-2,3-dihydroxy-4-[(4-morpholinylamino)methylid...)
Show SMILES Oc1ccc(C=NN2CCOCC2)c(O)c1O
Show InChI InChI=1S/C11H14N2O4/c14-9-2-1-8(10(15)11(9)16)7-12-13-3-5-17-6-4-13/h1-2,7,14-16H,3-6H2
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n/an/a 1.16E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46662
PNG
(3-[3-(3-bromophenyl)-4-[(4,6-diketo-2-thioxo-hexah...)
Show SMILES OC(=O)CCn1cc(C=C2C(=O)NC(=S)NC2=O)c(n1)-c1cccc(Br)c1
Show InChI InChI=1S/C17H13BrN4O4S/c18-11-3-1-2-9(6-11)14-10(8-22(21-14)5-4-13(23)24)7-12-15(25)19-17(27)20-16(12)26/h1-3,6-8H,4-5H2,(H,23,24)(H2,19,20,25,26,27)
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n/an/a 1.17E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM50533
PNG
(3,4,5-trihydroxy-N'-((1E)-{4-methoxy-3-[(4-nit...)
Show SMILES COc1ccc([CH+][N-]NC(=O)c2cc(O)c(O)c(O)c2)cc1Cn1cc(cn1)[N+]([O-])=O
Show InChI InChI=1S/C19H17N5O7/c1-31-17-3-2-11(4-13(17)9-23-10-14(8-21-23)24(29)30)7-20-22-19(28)12-5-15(25)18(27)16(26)6-12/h2-8,10,25-26H,9H2,1H3,(H2,22,27,28)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34659
PNG
(5-(o-Tolylamino-methyl)-quinolin-8-ol | 5-(o-tolui...)
Show SMILES Cc1ccccc1NCc1ccc(O)c2ncccc12
Show InChI InChI=1S/C17H16N2O/c1-12-5-2-3-7-15(12)19-11-13-8-9-16(20)17-14(13)6-4-10-18-17/h2-10,19-20H,11H2,1H3
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n/an/a 1.25E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46609
PNG
(1,3-bis(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-one...)
Show SMILES O=C(CSc1nnc[nH]1)CSc1nnc[nH]1
Show InChI InChI=1S/C7H8N6OS2/c14-5(1-15-6-8-3-10-12-6)2-16-7-9-4-11-13-7/h3-4H,1-2H2,(H,8,10,12)(H,9,11,13)
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n/an/a 1.27E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46596
PNG
(5-(2,5-dimethyl-1-pyrrolyl)-1,2-dihydro-1,2,4-tria...)
Show SMILES Cc1ccc(C)n1-c1n[nH]c(=S)[nH]1
Show InChI InChI=1S/C8H10N4S/c1-5-3-4-6(2)12(5)7-9-8(13)11-10-7/h3-4H,1-2H3,(H2,9,10,11,13)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34907
PNG
(2-chloranyl-5,7-dimethyl-quinoline-3-carbaldehyde ...)
Show SMILES Cc1cc(C)c2cc(C=O)c(Cl)nc2c1
Show InChI InChI=1S/C12H10ClNO/c1-7-3-8(2)10-5-9(6-15)12(13)14-11(10)4-7/h3-6H,1-2H3
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n/an/a 1.42E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34686
PNG
(3,5-dimethyl-4-{[(phenylsulfonyl)oxy]imino}-2,5-cy...)
Show SMILES CC1=CC(=O)C=C(C)C1=NOS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H13NO4S/c1-10-8-12(16)9-11(2)14(10)15-19-20(17,18)13-6-4-3-5-7-13/h3-9H,1-2H3
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n/an/a 1.44E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34653
PNG
((4-chlorodithiazol-5-ylidene)-(4-methoxyphenyl)ami...)
Show SMILES COc1ccc(cc1)\N=c1\ssnc1Cl
Show InChI InChI=1S/C9H7ClN2OS2/c1-13-7-4-2-6(3-5-7)11-9-8(10)12-15-14-9/h2-5H,1H3/b11-9+
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n/an/a 1.44E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46660
PNG
(5-(3-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thi...)
Show SMILES Brc1cccc(c1)-c1n[nH]c(=S)[nH]1
Show InChI InChI=1S/C8H6BrN3S/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
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n/an/a 1.45E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM33143
PNG
((4E)-2,3-dihydroxy-4-[[(2-methylimino-4-thiophen-2...)
Show SMILES CN=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C15H13N3O3S2/c1-16-15-18(10(8-23-15)12-3-2-6-22-12)17-7-9-4-5-11(19)14(21)13(9)20/h2-8,19-21H,1H3
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n/an/a 1.55E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM29680
PNG
(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-...)
Show SMILES COc1cccc(c1)-n1c(SCc2cc(=O)oc3cc(O)c(O)cc23)nc2ccccc2c1=O
Show InChI InChI=1S/C25H18N2O6S/c1-32-16-6-4-5-15(10-16)27-24(31)17-7-2-3-8-19(17)26-25(27)34-13-14-9-23(30)33-22-12-21(29)20(28)11-18(14)22/h2-12,28-29H,13H2,1H3
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n/an/a 1.56E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46663
PNG
(8-(1,3-benzodioxol-5-yl)-3-benzyl-6-keto-2,4,7,8-t...)
Show SMILES O=C1CC(C(C#N)=C2SCN(Cc3ccccc3)CN12)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H19N3O3S/c23-10-18-17(16-6-7-19-20(8-16)28-14-27-19)9-21(26)25-12-24(13-29-22(18)25)11-15-4-2-1-3-5-15/h1-8,17H,9,11-14H2
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n/an/a 1.60E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34580
PNG
((2Z)-2-[[hydroxy(methyl)amino]methylene]quinolin-8...)
Show SMILES CN(O)\C=c1\ccc2=CC=CC(=O)c2n1
Show InChI InChI=1S/C11H10N2O2/c1-13(15)7-9-6-5-8-3-2-4-10(14)11(8)12-9/h2-7,15H,1H3/b9-7-
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n/an/a 1.64E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM52168
PNG
(3-amino-1-phenalenone | 3-amino-1H-phenalen-1-one ...)
Show SMILES NC1=CC(=O)c2cccc3cccc1c23
Show InChI InChI=1S/C13H9NO/c14-11-7-12(15)10-6-2-4-8-3-1-5-9(11)13(8)10/h1-7H,14H2
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n/an/a 1.67E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46665
PNG
(4-[(4-methylbenzylidene)amino]-3-(4-pyridyl)-1H-1,...)
Show SMILES Cc1ccc(C=Nn2c(n[nH]c2=S)-c2ccncc2)cc1
Show InChI InChI=1S/C15H13N5S/c1-11-2-4-12(5-3-11)10-17-20-14(18-19-15(20)21)13-6-8-16-9-7-13/h2-10H,1H3,(H,19,21)
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n/an/a 1.83E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46608
PNG
((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...)
Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)
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n/an/a 1.91E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM33049
PNG
((4-chlorodithiazol-5-ylidene)-(3,5-dimethoxyphenyl...)
Show SMILES COc1cc(OC)cc(c1)\N=c1\ssnc1Cl
Show InChI InChI=1S/C10H9ClN2O2S2/c1-14-7-3-6(4-8(5-7)15-2)12-10-9(11)13-17-16-10/h3-5H,1-2H3/b12-10+
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n/an/a 1.96E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34841
PNG
(2-[2-hydroxyethyl(2-naphthalenyl)amino]ethanol | 2...)
Show SMILES OCCN(CCO)c1ccc2ccccc2c1
Show InChI InChI=1S/C14H17NO2/c16-9-7-15(8-10-17)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11,16-17H,7-10H2
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n/an/a 2.13E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
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