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PubChem AID 686958

Compile Data Set for Download or QSAR

Found 232 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
serum albumin precursor


(Bos taurus)
BDBM51295
PNG
(8-Amino-2-thioxo-2,3-dihydro-1H-benzo[g]pteridin-4...)
Show SMILES Nc1ccc2nc3c(nc2c1)[nH]c(=S)[nH]c3=O
Show InChI InChI=1S/C10H7N5OS/c11-4-1-2-5-6(3-4)13-8-7(12-5)9(16)15-10(17)14-8/h1-3H,11H2,(H2,13,14,15,16,17)
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n/an/a 2.56E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM84369
PNG
(6-chloranyl-7-[4-(2-hydroxyethyl)piperazin-1-yl]-5...)
Show SMILES OCCN1CCN(CC1)c1c(O)c2C(=O)C=CC(=O)c2c(O)c1Cl
Show InChI InChI=1S/C16H17ClN2O5/c17-13-14(19-5-3-18(4-6-19)7-8-20)16(24)12-10(22)2-1-9(21)11(12)15(13)23/h1-2,20,23-24H,3-8H2
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n/an/a 2.91E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM50056891
PNG
(2-Hydroxy-benzoic acid N'-(2-hydroxy-benzoyl)-hydr...)
Show SMILES Oc1ccccc1C(=O)NNC(=O)c1ccccc1O
Show InChI InChI=1S/C14H12N2O4/c17-11-7-3-1-5-9(11)13(19)15-16-14(20)10-6-2-4-8-12(10)18/h1-8,17-18H,(H,15,19)(H,16,20)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM83183
PNG
(4-keto-8-nitro-1H-quinoline-3-carboxylic acid | 8-...)
Show SMILES OC(=O)c1cnc2c(cccc2c1O)[N+]([O-])=O
Show InChI InChI=1S/C10H6N2O5/c13-9-5-2-1-3-7(12(16)17)8(5)11-4-6(9)10(14)15/h1-4H,(H,11,13)(H,14,15)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96345
PNG
(2-hydroxy-3,5,7-trimethylol-cyclohepta-2,4,6-trien...)
Show SMILES OCc1cc(CO)c(O)c(=O)c(CO)c1
Show InChI InChI=1S/C10H12O5/c11-3-6-1-7(4-12)9(14)10(15)8(2-6)5-13/h1-2,11-13H,3-5H2,(H,14,15)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96338
PNG
(MLS000687233 | N-(acetamidocarbamothioyl)-4-methyl...)
Show SMILES CC(=O)NNC(=S)NC(=O)c1ccc(C)cc1
Show InChI InChI=1S/C11H13N3O2S/c1-7-3-5-9(6-4-7)10(16)12-11(17)14-13-8(2)15/h3-6H,1-2H3,(H,13,15)(H2,12,14,16,17)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96409
PNG
(3-methyl-N'-salicyloyl-coumarilohydrazide | MLS001...)
Show SMILES Cc1c(oc2ccccc12)C(=O)NNC(=O)c1ccccc1O
Show InChI InChI=1S/C17H14N2O4/c1-10-11-6-3-5-9-14(11)23-15(10)17(22)19-18-16(21)12-7-2-4-8-13(12)20/h2-9,20H,1H3,(H,18,21)(H,19,22)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96312
PNG
(1-[[1-(3,4-dichlorobenzyl)-2-keto-nicotinoyl]amino...)
Show SMILES CNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O
Show InChI InChI=1S/C15H14Cl2N4O2S/c1-18-15(24)20-19-13(22)10-3-2-6-21(14(10)23)8-9-4-5-11(16)12(17)7-9/h2-7H,8H2,1H3,(H,19,22)(H2,18,20,24)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM88802
PNG
(MLS001229931 | N-[(E)-3-furanylmethylideneamino]-3...)
Show SMILES Oc1cc(O)cc(c1)C(=O)N\N=C\c1ccoc1
Show InChI InChI=1S/C12H10N2O4/c15-10-3-9(4-11(16)5-10)12(17)14-13-6-8-1-2-18-7-8/h1-7,15-16H,(H,14,17)/b13-6+
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM82903
PNG
(1-hydroxy-N'-(4-methylbenzoyl)-2-naphthohydraz...)
Show SMILES Cc1ccc(cc1)C(=O)NNC(=O)c1ccc2ccccc2c1O
Show InChI InChI=1S/C19H16N2O3/c1-12-6-8-14(9-7-12)18(23)20-21-19(24)16-11-10-13-4-2-3-5-15(13)17(16)22/h2-11,22H,1H3,(H,20,23)(H,21,24)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96411
PNG
(MLS003170719 | N'-[(E)-(3,5-dichloro-6-keto-cycloh...)
Show SMILES Cc1onc(c1C(=O)NN=Cc1cc(Cl)cc(Cl)c1O)-c1ccccc1
Show InChI InChI=1S/C18H13Cl2N3O3/c1-10-15(16(23-26-10)11-5-3-2-4-6-11)18(25)22-21-9-12-7-13(19)8-14(20)17(12)24/h2-9,24H,1H3,(H,22,25)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96367
PNG
(3,4,5-trihydroxy-N'-[(1E)-pyridin-3-ylmethylen...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccnc1
Show InChI InChI=1S/C13H11N3O4/c17-10-4-9(5-11(18)12(10)19)13(20)16-15-7-8-2-1-3-14-6-8/h1-7,17-19H,(H,16,20)/b15-7+
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM58610
PNG
(MLS001219939 | N-[(p-anisoylamino)thiocarbamoyl]th...)
Show SMILES COc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccs1
Show InChI InChI=1S/C14H13N3O3S2/c1-20-10-6-4-9(5-7-10)12(18)16-17-14(21)15-13(19)11-3-2-8-22-11/h2-8H,1H3,(H,16,18)(H2,15,17,19,21)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM52917
PNG
(2-Hydroxy-benzoic acid N'-[2,4,6-trioxo-1-phen...)
Show SMILES Oc1ccccc1C(=O)NNC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O
Show InChI InChI=1S/C20H18N4O5/c25-16-9-5-4-8-14(16)18(27)23-21-12-15-17(26)22-20(29)24(19(15)28)11-10-13-6-2-1-3-7-13/h1-9,12,21,25H,10-11H2,(H,23,27)(H,22,26,29)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM52902
PNG
(2-Hydroxy-benzoic acid N'-[1-furan-2-ylmethyl-...)
Show SMILES Oc1ccccc1C(=O)NNC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O
Show InChI InChI=1S/C17H14N4O6/c22-13-6-2-1-5-11(13)15(24)20-18-8-12-14(23)19-17(26)21(16(12)25)9-10-4-3-7-27-10/h1-8,18,22H,9H2,(H,20,24)(H,19,23,26)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96397
PNG
(MLS001080222 | N-[2-[2-(2-hydroxybenzoyl)hydraziny...)
Show SMILES Cc1cccc(c1)C(=O)NCC(=O)NNC(=O)c1ccccc1O
Show InChI InChI=1S/C17H17N3O4/c1-11-5-4-6-12(9-11)16(23)18-10-15(22)19-20-17(24)13-7-2-3-8-14(13)21/h2-9,21H,10H2,1H3,(H,18,23)(H,19,22)(H,20,24)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96364
PNG
(MLS001210541 | N-[N'-(4-Hydroxy-benzoyl)-hydra...)
Show SMILES Oc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H12N4O5S/c20-12-6-4-9(5-7-12)14(22)17-18-15(25)16-13(21)10-2-1-3-11(8-10)19(23)24/h1-8,20H,(H,17,22)(H2,16,18,21,25)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM60915
PNG
((E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(5-quinoliny...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
Show InChI InChI=1S/C19H13N3O3/c20-11-13(9-12-6-7-17(23)18(24)10-12)19(25)22-16-5-1-4-15-14(16)3-2-8-21-15/h1-10,23-24H,(H,22,25)/b13-9+
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM76224
PNG
(MLS001147398 | N-[[(4-hydroxybenzoyl)amino]carbamo...)
Show SMILES Oc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccs1
Show InChI InChI=1S/C13H11N3O3S2/c17-9-5-3-8(4-6-9)11(18)15-16-13(20)14-12(19)10-2-1-7-21-10/h1-7,17H,(H,15,18)(H2,14,16,19,20)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96352
PNG
(2-methyl-3-[[(E)-(5-methyl-3-nitro-6-oxidanylidene...)
Show SMILES Cc1nc2ccccc2c(=O)n1\[NH+]=C\[c-]1cc(cc(C)c1=O)[N+]([O-])=O
Show InChI InChI=1S/C17H13N4O4/c1-10-7-13(21(24)25)8-12(16(10)22)9-18-20-11(2)19-15-6-4-3-5-14(15)17(20)23/h3-9H,1-2H3/q-1/p+1/b18-9+
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM61886
PNG
(2-fluoranyl-N'-(3-pyrrol-1-ylphenyl)carbonyl-benzo...)
Show SMILES Fc1ccccc1C(=O)NNC(=O)c1cccc(c1)-n1cccc1
Show InChI InChI=1S/C18H14FN3O2/c19-16-9-2-1-8-15(16)18(24)21-20-17(23)13-6-5-7-14(12-13)22-10-3-4-11-22/h1-12H,(H,20,23)(H,21,24)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96356
PNG
(4-Hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic...)
Show SMILES Oc1c(C(=O)NNC(=O)CCl)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C12H10ClN3O4/c13-5-8(17)15-16-12(20)9-10(18)6-3-1-2-4-7(6)14-11(9)19/h1-4H,5H2,(H,15,17)(H,16,20)(H2,14,18,19)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM41891
PNG
(1-(3,4-dihydroxyphenyl)-2-(2-methyl-1-benzimidazol...)
Show SMILES Cc1nc2ccccc2n1CC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H14N2O3/c1-10-17-12-4-2-3-5-13(12)18(10)9-16(21)11-6-7-14(19)15(20)8-11/h2-8,19-20H,9H2,1H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96368
PNG
((4Z)-4-[[(2,6-dimethyl-1-piperidinyl)amino]methyli...)
Show SMILES CC1CCCC(C)N1N=Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C14H20N2O2/c1-10-4-3-5-11(2)16(10)15-9-12-6-7-13(17)14(18)8-12/h6-11,17-18H,3-5H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96330
PNG
(MLS000714751 | N-[(salicyloylamino)thiocarbamoyl]n...)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1cccnc1
Show InChI InChI=1S/C14H12N4O3S/c19-11-6-2-1-5-10(11)13(21)17-18-14(22)16-12(20)9-4-3-7-15-8-9/h1-8,19H,(H,17,21)(H2,16,18,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM53205
PNG
(1,3-bis[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-...)
Show SMILES O=C(NN=CC1=CC(=O)C(=O)CC1)NN=CC1=CC(=O)C(=O)CC1
Show InChI InChI=1S/C15H14N4O5/c20-11-3-1-9(5-13(11)22)7-16-18-15(24)19-17-8-10-2-4-12(21)14(23)6-10/h5-8H,1-4H2,(H2,18,19,24)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96307
PNG
(2-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-N-[4-(4-meth...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2F)cc1
Show InChI InChI=1S/C21H23FN6O3S/c1-15-10-12-27(13-11-15)32(30,31)17-8-6-16(7-9-17)23-20(29)14-28-25-21(24-26-28)18-4-2-3-5-19(18)22/h2-9,15H,10-14H2,1H3,(H,23,29)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96375
PNG
(4-oxidanyl-2-oxidanylidene-N'-(phenylcarbonyl)-1H-...)
Show SMILES Oc1c(C(=O)NNC(=O)c2ccccc2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C17H13N3O4/c21-14-11-8-4-5-9-12(11)18-16(23)13(14)17(24)20-19-15(22)10-6-2-1-3-7-10/h1-9H,(H,19,22)(H,20,24)(H2,18,21,23)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96361
PNG
(4-chloranyl-N'-[3-(4-methoxyphenyl)-3-oxidanyliden...)
Show SMILES COc1ccc(cc1)C(=O)CC=NNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O3/c1-23-15-8-4-12(5-9-15)16(21)10-11-19-20-17(22)13-2-6-14(18)7-3-13/h2-9,11H,10H2,1H3,(H,20,22)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96317
PNG
(2-Hydroxy-benzoic acid N'-[2-(4-benzyl-5-pheny...)
Show SMILES Oc1ccccc1C(=O)NNC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccccc1
Show InChI InChI=1S/C24H21N5O3S/c30-20-14-8-7-13-19(20)23(32)27-25-21(31)16-33-24-28-26-22(18-11-5-2-6-12-18)29(24)15-17-9-3-1-4-10-17/h1-14,30H,15-16H2,(H,25,31)(H,27,32)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96403
PNG
(MLS002155592 | N,N-dimethylformamide;2-[[4-[2-[(Z)...)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1ccc(N=[NH+]Cc2ccc([O-])c(O)c2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H16N4O8S/c25-18-8-5-12(9-19(18)26)11-21-22-16-7-6-13(10-17(16)24(29)30)33(31,32)23-15-4-2-1-3-14(15)20(27)28/h1-10,23,25-26H,11H2,(H,27,28)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM34809
PNG
(MLS000393214 | N'-[(E)-(2,3-dihydroxy-4-keto-cyclo...)
Show SMILES Oc1ccc(C=NNC(=O)CCc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(O)c1O
Show InChI InChI=1S/C20H23N3O7S/c24-17-7-4-15(19(26)20(17)27)13-21-22-18(25)8-3-14-1-5-16(6-2-14)31(28,29)23-9-11-30-12-10-23/h1-2,4-7,13,24,26-27H,3,8-12H2,(H,22,25)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96315
PNG
(MLS000585923 | N-((E)-1-{[(2E)-2-(2-hydroxy-3,5-di...)
Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c(=O)[c-](\C=[NH+]\NC(=O)C(\NC(=O)c2ccccc2)=C/c2cccs2)c1
Show InChI InChI=1S/C21H14N5O7S/c27-19-14(9-15(25(30)31)10-18(19)26(32)33)12-22-24-21(29)17(11-16-7-4-8-34-16)23-20(28)13-5-2-1-3-6-13/h1-12H,(H,23,28)(H,24,29)/q-1/p+1/b17-11+,22-12+
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM89199
PNG
(MLS001224314 | N-[(E)-[1-(3-fluorobenzyl)indol-3-y...)
Show SMILES Oc1cc(O)cc(c1)C(=O)N\N=C\c1cn(Cc2cccc(F)c2)c2ccccc12
Show InChI InChI=1S/C23H18FN3O3/c24-18-5-3-4-15(8-18)13-27-14-17(21-6-1-2-7-22(21)27)12-25-26-23(30)16-9-19(28)11-20(29)10-16/h1-12,14,28-29H,13H2,(H,26,30)/b25-12+
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96387
PNG
(1-(4-fluorophenyl)-3-[(1-hydroxy-2-naphthoyl)amino...)
Show SMILES Oc1c(ccc2ccccc12)C(=O)NNC(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C18H14FN3O3/c19-12-6-8-13(9-7-12)20-18(25)22-21-17(24)15-10-5-11-3-1-2-4-14(11)16(15)23/h1-10,23H,(H,21,24)(H2,20,22,25)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM50994
PNG
(2-hydroxy-N'-{[5-(4-methoxybenzylidene)-2,4-di...)
Show SMILES COc1ccc(\C=C2/SC(=O)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)cc1
Show InChI InChI=1S/C20H17N3O6S/c1-29-13-8-6-12(7-9-13)10-16-19(27)23(20(28)30-16)11-17(25)21-22-18(26)14-4-2-3-5-15(14)24/h2-10,24H,11H2,1H3,(H,21,25)(H,22,26)/b16-10-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96347
PNG
(1-cyclohexyl-3-(salicyloylamino)thiourea | 1-cyclo...)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC1CCCCC1
Show InChI InChI=1S/C14H19N3O2S/c18-12-9-5-4-8-11(12)13(19)16-17-14(20)15-10-6-2-1-3-7-10/h4-5,8-10,18H,1-3,6-7H2,(H,16,19)(H2,15,17,20)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM53226
PNG
(MLS001197623 | N-(4-keto-2-thioxo-1H-benzo[g]pteri...)
Show SMILES CCC(=O)Nc1ccc2nc3c(nc2c1)[nH]c(=S)[nH]c3=O
Show InChI InChI=1S/C13H11N5O2S/c1-2-9(19)14-6-3-4-7-8(5-6)16-11-10(15-7)12(20)18-13(21)17-11/h3-5H,2H2,1H3,(H,14,19)(H2,16,17,18,20,21)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM65669
PNG
(MLS001141935 | N-[3-[2-(3-hydroxynaphthalene-2-car...)
Show SMILES CC(=O)NC(CC(=O)NNC(=O)c1cc2ccccc2cc1O)c1ccccc1
Show InChI InChI=1S/C22H21N3O4/c1-14(26)23-19(15-7-3-2-4-8-15)13-21(28)24-25-22(29)18-11-16-9-5-6-10-17(16)12-20(18)27/h2-12,19,27H,13H2,1H3,(H,23,26)(H,24,28)(H,25,29)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM60881
PNG
(MLS001205093 | N-[5-(3,4-Dihydroxy-benzylidene-hyd...)
Show SMILES Oc1ccc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1O
Show InChI InChI=1S/C18H15N5O4S/c24-13-7-6-11(8-14(13)25)10-19-21-15(26)9-16-22-23-18(28-16)20-17(27)12-4-2-1-3-5-12/h1-8,10,24-25H,9H2,(H,21,26)(H,20,23,27)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM65606
PNG
(7-(3-imidazol-1-ylpropylamino)-2,3-dimethyl-xanthe...)
Show SMILES Cc1cc2oc3ccc(NCCCn4ccnc4)cc3c(=O)c2cc1C
Show InChI InChI=1S/C21H21N3O2/c1-14-10-17-20(11-15(14)2)26-19-5-4-16(12-18(19)21(17)25)23-6-3-8-24-9-7-22-13-24/h4-5,7,9-13,23H,3,6,8H2,1-2H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM50227
PNG
(3-[[(E)-(3-methyl-5-nitro-6-oxidanylidene-cyclohex...)
Show SMILES Cc1cc([N+]([O-])=O)c(=O)[c-](\C=[NH+]\n2c(COc3ccccc3C)nc3ccccc3c2=O)c1
Show InChI InChI=1S/C24H19N4O5/c1-15-11-17(23(29)20(12-15)28(31)32)13-25-27-22(14-33-21-10-6-3-7-16(21)2)26-19-9-5-4-8-18(19)24(27)30/h3-13H,14H2,1-2H3/q-1/p+1/b25-13+
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM54077
PNG
(2-Hydroxy-benzoic acid N'-{1-[1-benzyl-2,4,6-t...)
Show SMILES CCC(NNC(=O)c1ccccc1O)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H20N4O5/c1-2-15(23-24-18(27)14-10-6-7-11-16(14)26)17-19(28)22-21(30)25(20(17)29)12-13-8-4-3-5-9-13/h3-11,23,26H,2,12H2,1H3,(H,24,27)(H,22,28,30)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM59075
PNG
(3-[2-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)pi...)
Show SMILES Cc1c(CC(=O)N2CCN(CC2)C(=O)C2COc3ccccc3O2)c(=O)oc2c(O)c(O)ccc12
Show InChI InChI=1S/C25H24N2O8/c1-14-15-6-7-17(28)22(30)23(15)35-25(32)16(14)12-21(29)26-8-10-27(11-9-26)24(31)20-13-33-18-4-2-3-5-19(18)34-20/h2-7,20,28,30H,8-13H2,1H3
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM64619
PNG
(MLS000585467 | N'-[(1E)-(5-chloro-2-hydroxy-3-...)
Show SMILES Cc1cc(C(=O)N\[NH+]=C\[c-]2cc(Cl)cc([N+]([O-])=O)c2=O)c2ccccc2n1
Show InChI InChI=1S/C18H12ClN4O4/c1-10-6-14(13-4-2-3-5-15(13)21-10)18(25)22-20-9-11-7-12(19)8-16(17(11)24)23(26)27/h2-9H,1H3,(H,22,25)/q-1/p+1/b20-9+
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM58397
PNG
((4-Methoxy-phenyl)-acetic acid (3-bromo-2-hydroxy-...)
Show SMILES COc1ccc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H13BrN3O5/c1-25-13-4-2-10(3-5-13)6-15(21)19-18-9-11-7-12(20(23)24)8-14(17)16(11)22/h2-5,7-9H,6H2,1H3,(H,19,21)/q-1/p+1/b18-9+
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n/an/a>9.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM65727
PNG
(5-(4-nitrophenyl)-N'-salicyloyl-2-furohydrazide | ...)
Show SMILES Oc1ccccc1C(=O)NNC(=O)c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H13N3O6/c22-14-4-2-1-3-13(14)17(23)19-20-18(24)16-10-9-15(27-16)11-5-7-12(8-6-11)21(25)26/h1-10,22H,(H,19,23)(H,20,24)
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n/an/a>9.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM65708
PNG
(1-(2-methoxy-5-methyl-phenyl)-3-[(3-oxidanylnaphth...)
Show SMILES COc1ccc(C)cc1NC(=O)NNC(=O)c1cc2ccccc2cc1O
Show InChI InChI=1S/C20H19N3O4/c1-12-7-8-18(27-2)16(9-12)21-20(26)23-22-19(25)15-10-13-5-3-4-6-14(13)11-17(15)24/h3-11,24H,1-2H3,(H,22,25)(H2,21,23,26)
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n/an/a>9.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM50429
PNG
((6E)-6-[[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol...)
Show SMILES CCc1n[nH]c(=S)n1[NH+]=C[c-]1cc(OC)cc([N+]([O-])=O)c1=O
Show InChI InChI=1S/C12H12N5O4S/c1-3-10-14-15-12(22)16(10)13-6-7-4-8(21-2)5-9(11(7)18)17(19)20/h4-6H,3H2,1-2H3,(H,15,22)/q-1/p+1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96373
PNG
(2-bromanyl-N-[2-[2-[(E)-(5-bromanyl-3-nitro-6-oxid...)
Show SMILES [O-][N+](=O)c1cc(Br)c(=O)[c-](\C=[NH+]\NC(=O)CNC(=O)c2ccccc2Br)c1
Show InChI InChI=1S/C16H11Br2N4O5/c17-12-4-2-1-3-11(12)16(25)19-8-14(23)21-20-7-9-5-10(22(26)27)6-13(18)15(9)24/h1-7H,8H2,(H,19,25)(H,21,23)/q-1/p+1/b20-7+
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%