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PubChem AID 2754

Compile data set for download or QSAR
Found 93 hits of Enzyme Inhibition Constant Data   
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
Beta lactamase


(Pseudomonas aeruginosa)
BDBM55059
PNG
(6-hydroxy-9-phenyl-3-xanthenone | 6-hydroxy-9-phen...)
Show SMILES Oc1ccc2c(-c3ccccc3)c3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C19H12O3/c20-13-6-8-15-17(10-13)22-18-11-14(21)7-9-16(18)19(15)12-4-2-1-3-5-12/h1-11,20H
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n/an/a 374n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66121
PNG
((2E)-2-(dimethylaminomethylene)pyrrol[1,2-a]indole...)
Show SMILES CN(C)\C=C1/C=C2N(C1=O)c1ccccc1C2=O
Show InChI InChI=1S/C14H12N2O2/c1-15(2)8-9-7-12-13(17)10-5-3-4-6-11(10)16(12)14(9)18/h3-8H,1-2H3/b9-8+
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n/an/a 894n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM32006
PNG
(1-(2-Hydroxy-ethylamino)-3-methyl-3H-naphtho[1,2,3...)
Show SMILES Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCO)c1=O)c23
Show InChI InChI=1S/C19H16N2O3/c1-21-14-8-4-7-13-15(14)16(17(19(21)24)20-9-10-22)11-5-2-3-6-12(11)18(13)23/h2-8,20,22H,9-10H2,1H3
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n/an/a 1.39E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM32050
PNG
(MLS000080844 | SMR000044769 | cid_663844)
Show SMILES O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
Show InChI InChI=1S/C20H16N4O2/c25-19-13-4-1-2-5-14(13)20-18-16(23-26-20)7-6-15(17(18)19)22-8-3-10-24-11-9-21-12-24/h1-2,4-7,9,11-12,22H,3,8,10H2
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n/an/a 1.72E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM41474
PNG
(MLS000103371 | SMR000017250 | cid_1789058)
Show SMILES COCCCNc1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23
Show InChI InChI=1S/C20H18N2O3/c1-25-11-5-10-21-18-17-12-6-2-3-7-13(12)19(23)14-8-4-9-15(16(14)17)22-20(18)24/h2-4,6-9,21H,5,10-11H2,1H3,(H,22,24)
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n/an/a 1.84E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66116
PNG
(2-(7-piperidin-1-yl-4,4a,5,6-tetrahydro-3H-naphtha...)
Show SMILES N#CC(C#N)=C1CCC2CCC(=CC2=C1)N1CCCCC1
Show InChI InChI=1S/C18H21N3/c19-12-17(13-20)15-5-4-14-6-7-18(11-16(14)10-15)21-8-2-1-3-9-21/h10-11,14H,1-9H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM55634
PNG
(2-[7-(diethylamino)-4,4a,5,6-tetrahydro-3H-naphtha...)
Show SMILES CCN(CC)C1=CC2=CC(CCC2CC1)=C(C#N)C#N
Show InChI InChI=1S/C17H21N3/c1-3-20(4-2)17-8-7-13-5-6-14(9-15(13)10-17)16(11-18)12-19/h9-10,13H,3-8H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66115
PNG
(2-[7-(1-azepanyl)-4,4a,5,6-tetrahydro-3H-naphthale...)
Show SMILES N#CC(C#N)=C1CCC2CCC(=CC2=C1)N1CCCCCC1
Show InChI InChI=1S/C19H23N3/c20-13-18(14-21)16-6-5-15-7-8-19(12-17(15)11-16)22-9-3-1-2-4-10-22/h11-12,15H,1-10H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM37601
PNG
(3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1-benzop...)
Show SMILES CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1
Show InChI InChI=1S/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM55829
PNG
(2-(7-morpholin-4-yl-4,4a,5,6-tetrahydro-3H-naphtha...)
Show SMILES N#CC(C#N)=C1CCC2CCC(=CC2=C1)N1CCOCC1
Show InChI InChI=1S/C17H19N3O/c18-11-16(12-19)14-2-1-13-3-4-17(10-15(13)9-14)20-5-7-21-8-6-20/h9-10,13H,1-8H2
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM60189
PNG
(2-[7-(4-methyl-1-piperazinyl)-4,4a,5,6-tetrahydro-...)
Show SMILES CN1CCN(CC1)C1=CC2=CC(CCC2CC1)=C(C#N)C#N
Show InChI InChI=1S/C18H22N4/c1-21-6-8-22(9-7-21)18-5-4-14-2-3-15(10-16(14)11-18)17(12-19)13-20/h10-11,14H,2-9H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66128
PNG
(2-Methyl-6-methylamino-benzo[de]isoquinoline-1,3-d...)
Show SMILES CNc1ccc2C(=O)N(C)C(=O)c3cccc1c23
Show InChI InChI=1S/C14H12N2O2/c1-15-11-7-6-10-12-8(11)4-3-5-9(12)13(17)16(2)14(10)18/h3-7,15H,1-2H3
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM61623
PNG
(2-[7-(4-ethyl-1-piperazinyl)-4,4a,5,6-tetrahydro-3...)
Show SMILES CCN1CCN(CC1)C1=CC2=CC(CCC2CC1)=C(C#N)C#N
Show InChI InChI=1S/C19H24N4/c1-2-22-7-9-23(10-8-22)19-6-5-15-3-4-16(11-17(15)12-19)18(13-20)14-21/h11-12,15H,2-10H2,1H3
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM47374
PNG
(2-[7-[butyl(methyl)amino]-4,4a,5,6-tetrahydro-3H-n...)
Show SMILES CCCCN(C)C1=CC2=CC(CCC2CC1)=C(C#N)C#N
Show InChI InChI=1S/C18H23N3/c1-3-4-9-21(2)18-8-7-14-5-6-15(10-16(14)11-18)17(12-19)13-20/h10-11,14H,3-9H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66136
PNG
(2-amino-5-(3-hydroxy-6-keto-xanthen-9-yl)benzoic a...)
Show SMILES Nc1ccc(cc1C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
Show InChI InChI=1S/C20H13NO5/c21-16-6-1-10(7-15(16)20(24)25)19-13-4-2-11(22)8-17(13)26-18-9-12(23)3-5-14(18)19/h1-9,22H,21H2,(H,24,25)
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n/an/a 4.47E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM39880
PNG
(1-(ethylamino)-3-methyl-3H-naphtho[1,2,3-de]quinol...)
Show SMILES CCNc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
Show InChI InChI=1S/C19H16N2O2/c1-3-20-17-16-11-7-4-5-8-12(11)18(22)13-9-6-10-14(15(13)16)21(2)19(17)23/h4-10,20H,3H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM34751
PNG
(2,6,7-trihydroxy-9-(2,4,5-trimethoxyphenyl)-3-xant...)
Show SMILES COc1cc(OC)c(cc1OC)-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
Show InChI InChI=1S/C22H18O8/c1-27-17-9-21(29-3)20(28-2)6-12(17)22-10-4-13(23)15(25)7-18(10)30-19-8-16(26)14(24)5-11(19)22/h4-9,23-25H,1-3H3
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66104
PNG
(4-ethyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl...)
Show SMILES CCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12
Show InChI InChI=1S/C17H21NO3/c1-3-12-9-15(19)21-14-8-11(2)13(17(20)16(12)14)10-18-6-4-5-7-18/h8-9,20H,3-7,10H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM53129
PNG
(6-Amino-2-methyl-benzo[de]isoquinoline-1,3-dione |...)
Show SMILES CN1C(=O)c2cccc3c(N)ccc(C1=O)c23
Show InChI InChI=1S/C13H10N2O2/c1-15-12(16)8-4-2-3-7-10(14)6-5-9(11(7)8)13(15)17/h2-6H,14H2,1H3
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66131
PNG
(6-Amino-2-ethyl-benzo[de]isoquinoline-1,3-dione | ...)
Show SMILES CCN1C(=O)c2cccc3c(N)ccc(C1=O)c23
Show InChI InChI=1S/C14H12N2O2/c1-2-16-13(17)9-5-3-4-8-11(15)7-6-10(12(8)9)14(16)18/h3-7H,2,15H2,1H3
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM47600
PNG
((E)-1-(4-bromophenyl)-3-[4-(diethylamino)phenyl]-2...)
Show SMILES CCN(CC)c1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H20BrNO/c1-3-21(4-2)18-12-5-15(6-13-18)7-14-19(22)16-8-10-17(20)11-9-16/h5-14H,3-4H2,1-2H3/b14-7+
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n/an/a 8.45E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM53185
PNG
(2-(trifluoromethyl)-1H-perimidine-4-carbaldehyde |...)
Show SMILES FC(F)(F)c1nc2cccc3ccc(C=O)c([nH]1)c23
Show InChI InChI=1S/C13H7F3N2O/c14-13(15,16)12-17-9-3-1-2-7-4-5-8(6-19)11(18-12)10(7)9/h1-6H,(H,17,18)
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM51078
PNG
(6-amino-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-ben...)
Show SMILES Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(N)ccc(C1=O)c23
Show InChI InChI=1S/C18H16N4O2/c1-9-16(10(2)21(3)20-9)22-17(23)12-6-4-5-11-14(19)8-7-13(15(11)12)18(22)24/h4-8H,19H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM34608
PNG
(7,8-dihydro-9H-pyrido[1,2,3-cd]perimidin-9-one | M...)
Show SMILES O=C1CCn2cnc3cccc4ccc1c2c34
Show InChI InChI=1S/C14H10N2O/c17-12-6-7-16-8-15-11-3-1-2-9-4-5-10(12)14(16)13(9)11/h1-5,8H,6-7H2
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n/an/a 9.22E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM41501
PNG
(3-Methyl-1-phenethylamino-3H-naphtho[1,2,3-de]quin...)
Show SMILES Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCc4ccccc4)c1=O)c23
Show InChI InChI=1S/C25H20N2O2/c1-27-20-13-7-12-19-21(20)22(17-10-5-6-11-18(17)24(19)28)23(25(27)29)26-15-14-16-8-3-2-4-9-16/h2-13,26H,14-15H2,1H3
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n/an/a 9.24E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66111
PNG
((E)-3-(1,3-benzothiazol-2-yl)-4-(5-chloranyl-3-met...)
Show SMILES Cc1nn(c(Cl)c1\C=C(/CC(O)=O)c1nc2ccccc2s1)-c1ccccc1
Show InChI InChI=1S/C21H16ClN3O2S/c1-13-16(20(22)25(24-13)15-7-3-2-4-8-15)11-14(12-19(26)27)21-23-17-9-5-6-10-18(17)28-21/h2-11H,12H2,1H3,(H,26,27)/b14-11+
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n/an/a 9.26E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66123
PNG
(9-aminopyrido[1,2-a]quinolinium | 9-benzo[c]quinol...)
Show SMILES Nc1ccc2ccc3cccc[n+]3c2c1
Show InChI InChI=1S/C13H10N2/c14-11-6-4-10-5-7-12-3-1-2-8-15(12)13(10)9-11/h1-9,14H/p+1
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n/an/a 9.33E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66134
PNG
(2-[(1,1-diketo-1,2-benzothiazol-3-yl)-[[4-(dimethy...)
Show SMILES CN(C)c1ccc(C=NN(CCO)C2=NS(=O)(=O)c3ccccc23)cc1
Show InChI InChI=1S/C18H20N4O3S/c1-21(2)15-9-7-14(8-10-15)13-19-22(11-12-23)18-16-5-3-4-6-17(16)26(24,25)20-18/h3-10,13,23H,11-12H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66122
PNG
((2,5-diphenyl-3-furanyl)phosphonic acid | (2,5-dip...)
Show SMILES OP(O)(=O)c1cc(oc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C16H13O4P/c17-21(18,19)15-11-14(12-7-3-1-4-8-12)20-16(15)13-9-5-2-6-10-13/h1-11H,(H2,17,18,19)
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n/an/a 1.07E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM51165
PNG
(6-amino-2-phenyl-benzo[de]isoquinoline-1,3-quinone...)
Show SMILES Nc1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccccc1
Show InChI InChI=1S/C18H12N2O2/c19-15-10-9-14-16-12(15)7-4-8-13(16)17(21)20(18(14)22)11-5-2-1-3-6-11/h1-10H,19H2
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n/an/a 1.09E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM50864
PNG
(1-Butylamino-3-methyl-3H-naphtho[1,2,3-de]quinolin...)
Show SMILES CCCCNc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
Show InChI InChI=1S/C21H20N2O2/c1-3-4-12-22-19-18-13-8-5-6-9-14(13)20(24)15-10-7-11-16(17(15)18)23(2)21(19)25/h5-11,22H,3-4,12H2,1-2H3
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n/an/a 1.19E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66130
PNG
(MLS001212969 | N-[4-(6-Hydroxy-1,3-dioxo-1H,3H-ben...)
Show SMILES CC(=O)Nc1ccc(cc1)N1C(=O)c2cccc3c(O)ccc(C1=O)c23
Show InChI InChI=1S/C20H14N2O4/c1-11(23)21-12-5-7-13(8-6-12)22-19(25)15-4-2-3-14-17(24)10-9-16(18(14)15)20(22)26/h2-10,24H,1H3,(H,21,23)
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n/an/a 1.26E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM51212
PNG
(2-(2-furanylmethyl)-6-hydroxybenzo[de]isoquinoline...)
Show SMILES Oc1ccc2C(=O)N(Cc3ccco3)C(=O)c3cccc1c23
Show InChI InChI=1S/C17H11NO4/c19-14-7-6-13-15-11(14)4-1-5-12(15)16(20)18(17(13)21)9-10-3-2-8-22-10/h1-8,19H,9H2
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n/an/a 1.31E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66109
PNG
(2-(3-Furan-2-yl-4-methyl-pentyl)-isoindole-1,3-dio...)
Show SMILES CC(C)C(CCN1C(=O)c2ccccc2C1=O)c1ccco1
Show InChI InChI=1S/C18H19NO3/c1-12(2)13(16-8-5-11-22-16)9-10-19-17(20)14-6-3-4-7-15(14)18(19)21/h3-8,11-13H,9-10H2,1-2H3
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n/an/a 1.34E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66133
PNG
((1,1-diketo-1,2-benzothiazol-3-yl)-[[4-(dimethylam...)
Show SMILES CN(C)c1ccc(C=NN(C)C2=NS(=O)(=O)c3ccccc23)cc1
Show InChI InChI=1S/C17H18N4O2S/c1-20(2)14-10-8-13(9-11-14)12-18-21(3)17-15-6-4-5-7-16(15)24(22,23)19-17/h4-12H,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM37250
PNG
(6-(1-azepanyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ben...)
Show SMILES Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCCC1
Show InChI InChI=1S/C23H24N4O2/c1-14-21(15(2)25-24-14)27-22(28)17-9-7-8-16-19(26-12-5-3-4-6-13-26)11-10-18(20(16)17)23(27)29/h7-11H,3-6,12-13H2,1-2H3,(H,24,25)
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n/an/a 1.55E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM50972
PNG
(8-amino-3-butyl-1H-benzo[g]pteridine-2,4-dione | 8...)
Show SMILES CCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
Show InChI InChI=1S/C14H15N5O2/c1-2-3-6-19-13(20)11-12(18-14(19)21)17-10-7-8(15)4-5-9(10)16-11/h4-5,7H,2-3,6,15H2,1H3,(H,17,18,21)
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n/an/a 1.68E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM53126
PNG
(2-(4-Chloro-phenyl)-6-hydroxy-benzo[de]isoquinolin...)
Show SMILES Oc1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H10ClNO3/c19-10-4-6-11(7-5-10)20-17(22)13-3-1-2-12-15(21)9-8-14(16(12)13)18(20)23/h1-9,21H
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n/an/a 1.91E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66125
PNG
(6-Amino-2-m-tolyl-benzo[de]isoquinoline-1,3-dione ...)
Show SMILES Cc1cccc(c1)N1C(=O)c2cccc3c(N)ccc(C1=O)c23
Show InChI InChI=1S/C19H14N2O2/c1-11-4-2-5-12(10-11)21-18(22)14-7-3-6-13-16(20)9-8-15(17(13)14)19(21)23/h2-10H,20H2,1H3
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n/an/a 2.08E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM50875
PNG
(8-Trifluoromethyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-...)
Show SMILES FC(F)(F)c1cc(=O)oc2c3CCCN4CCCc(cc12)c34
Show InChI InChI=1S/C16H14F3NO2/c17-16(18,19)12-8-13(21)22-15-10-4-2-6-20-5-1-3-9(14(10)20)7-11(12)15/h7-8H,1-6H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66120
PNG
(2-[5-[(E)-2-[2-keto-6-(trifluoromethyl)-1H-pyrimid...)
Show SMILES OC(=O)c1ccccc1-c1ccc(C=Cc2cc(nc(=O)[nH]2)C(F)(F)F)o1
Show InChI InChI=1S/C18H11F3N2O4/c19-18(20,21)15-9-10(22-17(26)23-15)5-6-11-7-8-14(27-11)12-3-1-2-4-13(12)16(24)25/h1-9H,(H,24,25)(H,22,23,26)/b6-5+
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n/an/a 2.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM61753
PNG
(1-[5,6-dichloro-1-(4-methylbenzyl)benzimidazol-2-y...)
Show SMILES CC(Nc1nc(cs1)-c1ccc(C)cc1)c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(C)cc1
Show InChI InChI=1S/C27H24Cl2N4S/c1-16-4-8-19(9-5-16)14-33-25-13-22(29)21(28)12-23(25)31-26(33)18(3)30-27-32-24(15-34-27)20-10-6-17(2)7-11-20/h4-13,15,18H,14H2,1-3H3,(H,30,32)
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n/an/a 2.52E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66118
PNG
((6E)-5-azanylidene-6-[(4-oxidanylidenechromen-3-yl...)
Show SMILES N=C1N2C=CSC2=NC(=O)\C1=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C16H9N3O3S/c17-14-11(15(21)18-16-19(14)5-6-23-16)7-9-8-22-12-4-2-1-3-10(12)13(9)20/h1-8,17H/b11-7+,17-14?
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n/an/a 2.55E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66135
PNG
(5-methyl-3-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethe...)
Show SMILES Cc1ccc2[nH]cc(\C=C\c3cc[n+](C)cc3)c2c1
Show InChI InChI=1S/C17H16N2/c1-13-3-6-17-16(11-13)15(12-18-17)5-4-14-7-9-19(2)10-8-14/h3-12H,1-2H3/p+1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM51269
PNG
(2-Butyl-6-butylamino-benzo[de]isoquinoline-1,3-dio...)
Show SMILES CCCCNc1ccc2C(=O)N(CCCC)C(=O)c3cccc1c23
Show InChI InChI=1S/C20H24N2O2/c1-3-5-12-21-17-11-10-16-18-14(17)8-7-9-15(18)19(23)22(20(16)24)13-6-4-2/h7-11,21H,3-6,12-13H2,1-2H3
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n/an/a 2.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66129
PNG
(2-(3-aminophenyl)-6-azanyl-benzo[de]isoquinoline-1...)
Show SMILES Nc1cccc(c1)N1C(=O)c2cccc3c(N)ccc(C1=O)c23
Show InChI InChI=1S/C18H13N3O2/c19-10-3-1-4-11(9-10)21-17(22)13-6-2-5-12-15(20)8-7-14(16(12)13)18(21)23/h1-9H,19-20H2
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n/an/a 2.62E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM51123
PNG
(1-(4-nitro-2,1,3-benzoxadiazol-7-yl)-3-piperidinec...)
Show SMILES CCOC(=O)C1CCCN(C1)c1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C14H16N4O5/c1-2-22-14(19)9-4-3-7-17(8-9)10-5-6-11(18(20)21)13-12(10)15-23-16-13/h5-6,9H,2-4,7-8H2,1H3
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n/an/a 2.63E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM64722
PNG
(1-isopropyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)v...)
Show SMILES CC(C)n1cc(\C=C\c2cc[n+](C)cc2)c2ccccc12
Show InChI InChI=1S/C19H21N2/c1-15(2)21-14-17(18-6-4-5-7-19(18)21)9-8-16-10-12-20(3)13-11-16/h4-15H,1-3H3/q+1
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n/an/a 2.90E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66132
PNG
(5-(4-tert-butylphenyl)-1,3-dihydropyrrolo[1,2-c][1...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1c(C(O)=O)c(C(O)=O)c2CSCn12
Show InChI InChI=1S/C18H19NO4S/c1-18(2,3)11-6-4-10(5-7-11)15-14(17(22)23)13(16(20)21)12-8-24-9-19(12)15/h4-7H,8-9H2,1-3H3,(H,20,21)(H,22,23)
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n/an/a 3.06E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66117
PNG
((3Z)-3-[(2Z)-2-(1,3,3-trimethyl-2-indolylidene)eth...)
Show SMILES CN1\C(=C/C=C2\C(=O)Oc3ccccc3C2=O)C(C)(C)c2ccccc12
Show InChI InChI=1S/C22H19NO3/c1-22(2)16-9-5-6-10-17(16)23(3)19(22)13-12-15-20(24)14-8-4-7-11-18(14)26-21(15)25/h4-13H,1-3H3/b15-12-,19-13-
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n/an/a 3.15E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66144
PNG
(MLS000949897 | SMR000526934 | [(5E)-4-(4-fluorophe...)
Show SMILES Fc1ccc(cc1)N1N\C(S\C1=C1\C(=O)C=Cc2ccccc12)=[NH+]\c1ccccc1
Show InChI InChI=1S/C24H16FN3OS/c25-17-11-13-19(14-12-17)28-23(30-24(27-28)26-18-7-2-1-3-8-18)22-20-9-5-4-6-16(20)10-15-21(22)29/h1-15H,(H,26,27)/p+1/b23-22+
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n/an/a 3.20E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66146
PNG
(MLS001158244 | N-(3-imidazol-1-ylpropyl)-2-[2-keto...)
Show SMILES COc1ccc(cc1)-c1cc(=O)oc2c(C)c(OCC(=O)NCCCn3ccnc3)ccc12
Show InChI InChI=1S/C25H25N3O5/c1-17-22(32-15-23(29)27-10-3-12-28-13-11-26-16-28)9-8-20-21(14-24(30)33-25(17)20)18-4-6-19(31-2)7-5-18/h4-9,11,13-14,16H,3,10,12,15H2,1-2H3,(H,27,29)
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n/an/a 3.39E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66108
PNG
(2-(4-methoxyphenyl)-3,4-furandicarboxylic acid | 2...)
Show SMILES COc1ccc(cc1)-c1occ(C(O)=O)c1C(O)=O
Show InChI InChI=1S/C13H10O6/c1-18-8-4-2-7(3-5-8)11-10(13(16)17)9(6-19-11)12(14)15/h2-6H,1H3,(H,14,15)(H,16,17)
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n/an/a 3.58E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66151
PNG
((4E)-4-(4-ethoxy-3-methoxy-benzylidene)-2,3-dihydr...)
Show SMILES CCOc1ccc(\C=C2/CCCc3c2nc2ccccc2c3C(O)=O)cc1OC
Show InChI InChI=1S/C24H23NO4/c1-3-29-20-12-11-15(14-21(20)28-2)13-16-7-6-9-18-22(24(26)27)17-8-4-5-10-19(17)25-23(16)18/h4-5,8,10-14H,3,6-7,9H2,1-2H3,(H,26,27)/b16-13+
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n/an/a 3.64E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66107
PNG
(7-(diethylamino)-2-keto-chromene-3-carbaldehyde | ...)
Show SMILES CCN(CC)c1ccc2cc(C=O)c(=O)oc2c1
Show InChI InChI=1S/C14H15NO3/c1-3-15(4-2)12-6-5-10-7-11(9-16)14(17)18-13(10)8-12/h5-9H,3-4H2,1-2H3
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n/an/a 3.88E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM47591
PNG
((6'-acetyloxy-3-oxidanylidene-spiro[2-benzofuran-1...)
Show SMILES CC(=O)Oc1ccc2c(Oc3cc(OC(C)=O)ccc3C22OC(=O)c3ccccc23)c1
Show InChI InChI=1S/C24H16O7/c1-13(25)28-15-7-9-19-21(11-15)30-22-12-16(29-14(2)26)8-10-20(22)24(19)18-6-4-3-5-17(18)23(27)31-24/h3-12H,1-2H3
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n/an/a 3.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66137
PNG
((5E)-3-benzyl-5-(3,5-dichloro-4-hydroxy-benzyliden...)
Show SMILES Oc1c(Cl)cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1Cl
Show InChI InChI=1S/C17H11Cl2NO2S2/c18-12-6-11(7-13(19)15(12)21)8-14-16(22)20(17(23)24-14)9-10-4-2-1-3-5-10/h1-8,21H,9H2/b14-8+
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n/an/a 4.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM51030
PNG
(8-amino-3-hexyl-1H-benzo[g]pteridine-2,4-dione | 8...)
Show SMILES CCCCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
Show InChI InChI=1S/C16H19N5O2/c1-2-3-4-5-8-21-15(22)13-14(20-16(21)23)19-12-9-10(17)6-7-11(12)18-13/h6-7,9H,2-5,8,17H2,1H3,(H,19,20,23)
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n/an/a 5.25E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM53070
PNG
(3-Methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de...)
Show SMILES CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
Show InChI InChI=1S/C20H15NO4/c1-3-25-20(24)17-16-11-7-4-5-8-12(11)18(22)13-9-6-10-14(15(13)16)21(2)19(17)23/h4-10H,3H2,1-2H3
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n/an/a 5.37E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66119
PNG
((3Z)-2-cyclohexylidene-3-[(1-methyl-3-indolyl)meth...)
Show SMILES Cn1cc(\C=C(/C(O)=O)C(C(O)=O)=C2CCCCC2)c2ccccc12
Show InChI InChI=1S/C20H21NO4/c1-21-12-14(15-9-5-6-10-17(15)21)11-16(19(22)23)18(20(24)25)13-7-3-2-4-8-13/h5-6,9-12H,2-4,7-8H2,1H3,(H,22,23)(H,24,25)/b16-11-
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n/an/a 5.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66103
PNG
(MLS000077039 | N-(2,4-Dioxo-3-phenyl-thiazolidin-5...)
Show SMILES CC(=O)N(c1sc(=O)n(c1O)-c1ccccc1)c1cccc(C)c1
Show InChI InChI=1S/C18H16N2O3S/c1-12-7-6-10-15(11-12)19(13(2)21)17-16(22)20(18(23)24-17)14-8-4-3-5-9-14/h3-11,22H,1-2H3
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n/an/a 5.43E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM51225
PNG
((4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihy...)
Show SMILES COc1ccc(\C=C2/CCCc3c2nc2ccccc2c3C(O)=O)cc1OC
Show InChI InChI=1S/C23H21NO4/c1-27-19-11-10-14(13-20(19)28-2)12-15-6-5-8-17-21(23(25)26)16-7-3-4-9-18(16)24-22(15)17/h3-4,7,9-13H,5-6,8H2,1-2H3,(H,25,26)/b15-12+
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n/an/a 5.61E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66126
PNG
(4-(azepan-1-yl)-7-nitro-benzofurazan | 4-Azepan-1-...)
Show SMILES [O-][N+](=O)c1ccc(N2CCCCCC2)c2nonc12
Show InChI InChI=1S/C12H14N4O3/c17-16(18)10-6-5-9(11-12(10)14-19-13-11)15-7-3-1-2-4-8-15/h5-6H,1-4,7-8H2
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n/an/a 5.79E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66114
PNG
(4,7-Diphenyl-2-pyridin-2-yl-3a,4,7,7a-tetrahydro-i...)
Show SMILES Oc1c2C(C=CC(c2c(O)n1-c1ccccn1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20N2O2/c28-24-22-19(17-9-3-1-4-10-17)14-15-20(18-11-5-2-6-12-18)23(22)25(29)27(24)21-13-7-8-16-26-21/h1-16,19-20,28-29H
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n/an/a 5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM51914
PNG
(2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(2-oxid...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C28H26N4O4S/c1-3-32(4-2)13-14-35-27(33)19-9-11-22(12-10-19)30-17-21(16-29)26-31-24(18-37-26)23-15-20-7-5-6-8-25(20)36-28(23)34/h5-12,15,17-18,21H,3-4,13-14H2,1-2H3
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n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM61733
PNG
(2-chloranyl-5-[2-[(1-propan-2-ylindol-3-yl)methyli...)
Show SMILES CC(C)n1cc(CN=Nc2ccc(Cl)c(c2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C19H18ClN3O2/c1-12(2)23-11-13(15-5-3-4-6-18(15)23)10-21-22-14-7-8-17(20)16(9-14)19(24)25/h3-9,11-12H,10H2,1-2H3,(H,24,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66148
PNG
(MLS001224570 | N-[(E)-1-[4-(p-anisoylamino)phenyl]...)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(C)=NNC(=O)c1ccncc1
Show InChI InChI=1S/C22H20N4O3/c1-15(25-26-22(28)18-11-13-23-14-12-18)16-3-7-19(8-4-16)24-21(27)17-5-9-20(29-2)10-6-17/h3-14H,1-2H3,(H,24,27)(H,26,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66150
PNG
(3-[(5Z)-5-(4-chlorobenzylidene)-4-keto-2-thioxo-th...)
Show SMILES Clc1ccc(\C=C2/SC(=S)N(CCC(=O)NCCCn3ccnc3)C2=O)cc1
Show InChI InChI=1S/C19H19ClN4O2S2/c20-15-4-2-14(3-5-15)12-16-18(26)24(19(27)28-16)10-6-17(25)22-7-1-9-23-11-8-21-13-23/h2-5,8,11-13H,1,6-7,9-10H2,(H,22,25)/b16-12-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM51241
PNG
(MLS000332169 | N-[3-Cyano-1-(3-methoxy-propyl)-8-m...)
Show SMILES COCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccccc1
Show InChI InChI=1S/C24H21N5O3/c1-16-8-6-11-29-20(16)26-22-19(24(29)31)14-18(15-25)21(28(22)12-7-13-32-2)27-23(30)17-9-4-3-5-10-17/h3-6,8-11,14H,7,12-13H2,1-2H3/b27-21+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM53032
PNG
((5E)-5-[4-(dimethylamino)benzylidene]-3-methyl-2-t...)
Show SMILES CN(C)c1ccc(\C=C2\OC(=S)N(C)C2=O)cc1
Show InChI InChI=1S/C13H14N2O2S/c1-14(2)10-6-4-9(5-7-10)8-11-12(16)15(3)13(18)17-11/h4-8H,1-3H3/b11-8+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM51899
PNG
((2Z)-1-methyl-2-[(2Z)-2-[(1-methyl-2-benzo[e][1,3]...)
Show SMILES CC\C(=C\c1sc2ccc3ccccc3c2[n+]1C)\C=C1/Sc2ccc3ccccc3c2N1C
Show InChI InChI=1S/C29H25N2S2/c1-4-19(17-26-30(2)28-22-11-7-5-9-20(22)13-15-24(28)32-26)18-27-31(3)29-23-12-8-6-10-21(23)14-16-25(29)33-27/h5-18H,4H2,1-3H3/q+1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66143
PNG
(6-bromanyl-2-(4-ethoxyphenyl)-N-(3-imidazol-1-ylpr...)
Show SMILES CCOc1ccc(cc1)-c1cc(C(=O)NCCCn2ccnc2)c2cc(Br)ccc2n1
Show InChI InChI=1S/C24H23BrN4O2/c1-2-31-19-7-4-17(5-8-19)23-15-21(20-14-18(25)6-9-22(20)28-23)24(30)27-10-3-12-29-13-11-26-16-29/h4-9,11,13-16H,2-3,10,12H2,1H3,(H,27,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66105
PNG
(1-(6,7,8,9-tetrahydro-5H-carbazol-2-yl)ethanone ox...)
Show SMILES CC(N=O)c1ccc2c3CCCCc3[nH]c2c1
Show InChI InChI=1S/C14H16N2O/c1-9(16-17)10-6-7-12-11-4-2-3-5-13(11)15-14(12)8-10/h6-9,15H,2-5H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66142
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-(4-methoxyph...)
Show SMILES COc1ccc(cc1)C(C)=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1
Show InChI InChI=1S/C20H18N8O3/c1-12(13-8-10-15(30-2)11-9-13)22-24-20(29)16-17(14-6-4-3-5-7-14)28(27-23-16)19-18(21)25-31-26-19/h3-11H,1-2H3,(H2,21,25)(H,24,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66140
PNG
(5-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]py...)
Show SMILES COc1ccccc1-c1csc(n1)-n1ncc(C#N)c1N
Show InChI InChI=1S/C14H11N5OS/c1-20-12-5-3-2-4-10(12)11-8-21-14(18-11)19-13(16)9(6-15)7-17-19/h2-5,7-8H,16H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66112
PNG
((5E)-2-(p-tolyl)-5-veratrylidene-2-thiazolin-4-one...)
Show SMILES COc1ccc(\C=C2\SC(=NC2=O)c2ccc(C)cc2)cc1OC
Show InChI InChI=1S/C19H17NO3S/c1-12-4-7-14(8-5-12)19-20-18(21)17(24-19)11-13-6-9-15(22-2)16(10-13)23-3/h4-11H,1-3H3/b17-11+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM54993
PNG
(4-[6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9...)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)/p-1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66145
PNG
(MLS000948311 | N-[4-[[4-(trifluoromethyl)phenyl]ca...)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1
Show InChI InChI=1S/C19H17F3N2O3/c20-19(21,22)13-5-9-15(10-6-13)23-17(25)12-3-7-14(8-4-12)24-18(26)16-2-1-11-27-16/h3-10,16H,1-2,11H2,(H,23,25)(H,24,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66149
PNG
(2-azanylidene-7-(diethylamino)-N-[(4-fluorophenyl)...)
Show SMILES CCN(CC)c1ccc2cc(C(=O)NCc3ccc(F)cc3)c(=N)oc2c1
Show InChI InChI=1S/C21H22FN3O2/c1-3-25(4-2)17-10-7-15-11-18(20(23)27-19(15)12-17)21(26)24-13-14-5-8-16(22)9-6-14/h5-12,23H,3-4,13H2,1-2H3,(H,24,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66152
PNG
(2-[[6-amino-5-(2-furoylamino)-4-keto-1H-pyrimidin-...)
Show SMILES CCCCC(Sc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1)C(O)=O
Show InChI InChI=1S/C15H18N4O5S/c1-2-3-6-9(14(22)23)25-15-18-11(16)10(13(21)19-15)17-12(20)8-5-4-7-24-8/h4-5,7,9H,2-3,6H2,1H3,(H,17,20)(H,22,23)(H3,16,18,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66106
PNG
(7-(diethylamino)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)...)
Show SMILES CCN(CC)c1ccc2cc(-c3nnc(o3)-c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C21H19N3O3/c1-3-24(4-2)16-11-10-15-12-17(21(25)26-18(15)13-16)20-23-22-19(27-20)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM46768
PNG
(6-(1-piperidinyl)-2-propyl-1H-benzo[de]isoquinolin...)
Show SMILES CCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1
Show InChI InChI=1S/C20H22N2O2/c1-2-11-22-19(23)15-8-6-7-14-17(21-12-4-3-5-13-21)10-9-16(18(14)15)20(22)24/h6-10H,2-5,11-13H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66127
PNG
((5E)-3-benzyl-5-(4-hydroxy-3,5-dimethoxy-benzylide...)
Show SMILES COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1O
Show InChI InChI=1S/C19H17NO4S2/c1-23-14-8-13(9-15(24-2)17(14)21)10-16-18(22)20(19(25)26-16)11-12-6-4-3-5-7-12/h3-10,21H,11H2,1-2H3/b16-10+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM61747
PNG
(3-nitro-4-[2-(1-thiophen-2-ylethylidene)hydrazinyl...)
Show SMILES CC(N=Nc1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1cccs1
Show InChI InChI=1S/C12H12N4O4S2/c1-8(12-3-2-6-21-12)14-15-10-5-4-9(22(13,19)20)7-11(10)16(17)18/h2-8H,1H3,(H2,13,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66110
PNG
(3,7-bis(chloranyl)-N-(3-imidazol-1-ylpropyl)-6-met...)
Show SMILES COc1ccc2c(Cl)c(sc2c1Cl)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C16H15Cl2N3O2S/c1-23-11-4-3-10-12(17)15(24-14(10)13(11)18)16(22)20-5-2-7-21-8-6-19-9-21/h3-4,6,8-9H,2,5,7H2,1H3,(H,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM47632
PNG
((2Z)-1-ethyl-2-[(E)-3-(1-ethyl-2-benzo[e][1,3]benz...)
Show SMILES CCN1\C(Oc2ccc3ccccc3c12)=C\C=C\c1oc2ccc3ccccc3c2[n+]1CC
Show InChI InChI=1S/C29H25N2O2/c1-3-30-26(32-24-18-16-20-10-5-7-12-22(20)28(24)30)14-9-15-27-31(4-2)29-23-13-8-6-11-21(23)17-19-25(29)33-27/h5-19H,3-4H2,1-2H3/q+1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66124
PNG
(5-(4-nitrophenyl)-2-furaldehyde methyl(phenyl)hydr...)
Show SMILES CN(\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C18H15N3O3/c1-20(15-5-3-2-4-6-15)19-13-17-11-12-18(24-17)14-7-9-16(10-8-14)21(22)23/h2-13H,1H3/b19-13+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66141
PNG
(5-Nitro-furan-2-carboxylic acid [2-(2-fluoro-pheny...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc2oc(nc2c1)-c1ccccc1F
Show InChI InChI=1S/C18H10FN3O5/c19-12-4-2-1-3-11(12)18-21-13-9-10(5-6-14(13)27-18)20-17(23)15-7-8-16(26-15)22(24)25/h1-9H,(H,20,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM61118
PNG
(1-(2-Methoxy-phenyl)-3-(4-nitro-phenyl)-5-phenyl-4...)
Show SMILES COc1ccccc1[N+]1=N[C-](CC1c1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H19N3O3/c1-28-22-10-6-5-9-20(22)24-21(17-7-3-2-4-8-17)15-19(23-24)16-11-13-18(14-12-16)25(26)27/h2-14,21H,15H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66147
PNG
(2-(3-ethyl-5-methyl-7-oxidanylidene-2-sulfanyliden...)
Show SMILES CCn1c2nc(C)n(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2sc1=S
Show InChI InChI=1S/C17H15F3N4O2S2/c1-3-23-14-13(28-16(23)27)15(26)24(9(2)21-14)8-12(25)22-11-7-5-4-6-10(11)17(18,19)20/h4-7H,3,8H2,1-2H3,(H,22,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66139
PNG
(3-[(E)-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofur...)
Show SMILES CCOc1cc2CC(C)Oc2cc1\C=C\c1noc(C)c1[N+]([O-])=O
Show InChI InChI=1S/C17H18N2O5/c1-4-22-15-9-13-7-10(2)23-16(13)8-12(15)5-6-14-17(19(20)21)11(3)24-18-14/h5-6,8-10H,4,7H2,1-3H3/b6-5+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66138
PNG
(3-[(4-cyanobenzoyl)amino]thiophene-2-carboxylic ac...)
Show SMILES COC(=O)c1sccc1NC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C14H10N2O3S/c1-19-14(18)12-11(6-7-20-12)16-13(17)10-4-2-9(8-15)3-5-10/h2-7H,1H3,(H,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66113
PNG
(4,7-Diphenyl-2-pyridin-4-yl-3a,4,7,7a-tetrahydro-i...)
Show SMILES Oc1c2C(C=CC(c2c(O)n1-c1ccncc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20N2O2/c28-24-22-20(17-7-3-1-4-8-17)11-12-21(18-9-5-2-6-10-18)23(22)25(29)27(24)19-13-15-26-16-14-19/h1-16,20-21,28-29H
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n/an/a 6.24E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%