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PubChem AID 588504

Compile Data Set for Download or QSAR

Found 241 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
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83731
PNG
(3-cyclohexyl-6-(3,4-dimethoxyphenyl)-[1,2,4]triazo...)
Show SMILES COc1ccc(cc1OC)-c1nn2c(nnc2s1)C1CCCCC1
Show InChI InChI=1S/C17H20N4O2S/c1-22-13-9-8-12(10-14(13)23-2)16-20-21-15(18-19-17(21)24-16)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83735
PNG
(MLS000082615 | SMR000045768 | cid_664720)
Show SMILES CC(C)c1nc2sc3c(NCc4ccco4)ncnc3c2c2CC(C)(C)OCc12
Show InChI InChI=1S/C22H24N4O2S/c1-12(2)17-15-10-28-22(3,4)8-14(15)16-18-19(29-21(16)26-17)20(25-11-24-18)23-9-13-6-5-7-27-13/h5-7,11-12H,8-10H2,1-4H3,(H,23,24,25)
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM47557
PNG
(2-(cyclooctylamino)-9,10-dimethoxy-6,7-dihydropyri...)
Show SMILES COc1cc2CCn3c(cc(NC4CCCCCCC4)nc3=O)-c2cc1OC
Show InChI InChI=1S/C22H29N3O3/c1-27-19-12-15-10-11-25-18(17(15)13-20(19)28-2)14-21(24-22(25)26)23-16-8-6-4-3-5-7-9-16/h12-14,16H,3-11H2,1-2H3,(H,23,24,26)
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83742
PNG
(MLS000118956 | N-(3-chloranyl-4-methoxy-phenyl)-1-...)
Show SMILES COc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3NC(=O)CCc3c2)cc1Cl
Show InChI InChI=1S/C21H22ClN3O5S/c1-30-19-8-5-14(12-16(19)22)23-21(27)18-3-2-10-25(18)31(28,29)15-6-7-17-13(11-15)4-9-20(26)24-17/h5-8,11-12,18H,2-4,9-10H2,1H3,(H,23,27)(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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83744
PNG
(6BETA-ACETOXY-8,13-EPOXY-1ALPHA,7BETA,9ALPHA-TRIHY...)
Show SMILES CC(=O)O[C@@H]1[C@H](O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C
Show InChI InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(28-12(2)23)17(26)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83747
PNG
(1-Amino-5-ethyl-6,7,8,9-tetrahydro-thieno[2,3-c]is...)
Show SMILES CCc1nc2sc(C#N)c(N)c2c2CCCCc12
Show InChI InChI=1S/C14H15N3S/c1-2-10-8-5-3-4-6-9(8)12-13(16)11(7-15)18-14(12)17-10/h2-6,16H2,1H3
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83749
PNG
(2-[(E)-2-(3-methyl-2-thienyl)vinyl]quinolin-8-ol |...)
Show SMILES Cc1ccsc1\C=C\c1ccc2cccc(O)c2n1
Show InChI InChI=1S/C16H13NOS/c1-11-9-10-19-15(11)8-7-13-6-5-12-3-2-4-14(18)16(12)17-13/h2-10,18H,1H3/b8-7+
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83758
PNG
((1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ...)
Show SMILES CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)cc12 |t:1|
Show InChI InChI=1S/C22H20N2O4/c1-13-11-22(2,3)23-18-9-8-14(10-17(13)18)28-19(25)12-24-20(26)15-6-4-5-7-16(15)21(24)27/h4-11,23H,12H2,1-3H3
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83759
PNG
((2,4,9-trimethylbenzo[b][1,8]naphthyridin-5-yl)ami...)
Show SMILES Cc1cc(C)c2c(N)c3cccc(C)c3nc2n1
Show InChI InChI=1S/C15H15N3/c1-8-5-4-6-11-13(16)12-9(2)7-10(3)17-15(12)18-14(8)11/h4-7H,1-3H3,(H2,16,17,18)
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM68014
PNG
(4-chloranyl-N-[2-[(4-chlorophenyl)amino]-2-phenyl-...)
Show SMILES Clc1ccc(NC(CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
Show InChI InChI=1S/C20H18Cl2N2O2S/c21-16-6-10-18(11-7-16)24-20(15-4-2-1-3-5-15)14-23-27(25,26)19-12-8-17(22)9-13-19/h1-13,20,23-24H,14H2
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM80904
PNG
(MLS000336088 | N-ethyl-5,6-dimethyl-2-(phenylsulfa...)
Show SMILES CCNc1nc(CSc2ccccc2)nc2sc(C)c(C)c12
Show InChI InChI=1S/C17H19N3S2/c1-4-18-16-15-11(2)12(3)22-17(15)20-14(19-16)10-21-13-8-6-5-7-9-13/h5-9H,4,10H2,1-3H3,(H,18,19,20)
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM46926
PNG
(MLS000409304 | N-(5-tert-butyl-2-methoxy-phenyl)-5...)
Show SMILES COc1ccc(cc1NC(=O)c1cc(ccc1N1CCCC1)S(=O)(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C24H33N3O4S/c1-24(2,3)17-9-12-22(31-6)20(15-17)25-23(28)19-16-18(32(29,30)26(4)5)10-11-21(19)27-13-7-8-14-27/h9-12,15-16H,7-8,13-14H2,1-6H3,(H,25,28)
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM59526
PNG
(MLS000417392 | N-[5-(1-azepanylsulfonyl)-2-chlorop...)
Show SMILES ClCC(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C14H18Cl2N2O3S/c15-10-14(19)17-13-9-11(5-6-12(13)16)22(20,21)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2,(H,17,19)
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM54279
PNG
(MLS000394779 | N-[4-chloranyl-3-(dimethylsulfamoyl...)
Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)ccc1Cl
Show InChI InChI=1S/C18H16Cl2N4O3S4/c1-23(2)31(26,27)15-9-12(5-8-14(15)20)21-16(25)10-29-17-22-24(18(28)30-17)13-6-3-11(19)4-7-13/h3-9H,10H2,1-2H3,(H,21,25)
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83788
PNG
((5Z)-1-benzyl-5-[(E)-3-(2-furyl)prop-2-enylidene]b...)
Show SMILES O=C1NC(=O)\C(=C\C=C\c2ccco2)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C18H14N2O4/c21-16-15(10-4-8-14-9-5-11-24-14)17(22)20(18(23)19-16)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,21,23)/b8-4+,15-10-
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM78766
PNG
(2-(3-methyl-1-adamantyl)acetic acid 2-(4-methyl-3-...)
Show SMILES [H]C12CC3([H])CC(C)(C1)CC(CC(=O)OCCc1sc[n+](CC(=O)c4ccccc4)c1C)(C2)C3 |TLB:5:3:32:6.9.8,THB:7:6:32:3.33.2,5:6:32:3.33.2,2:3:9:1.32.8|
Show InChI InChI=1S/C27H34NO3S/c1-19-24(32-18-28(19)16-23(29)22-6-4-3-5-7-22)8-9-31-25(30)15-27-13-20-10-21(14-27)12-26(2,11-20)17-27/h3-7,18,20-21H,8-17H2,1-2H3/q+1
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83792
PNG
((2-aminophenyl)-[3-(trifluoromethyl)phenyl]amine |...)
Show SMILES Nc1ccccc1Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H11F3N2/c14-13(15,16)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)17/h1-8,18H,17H2
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83794
PNG
(MLS000516284 | N-[(6-amino-1-benzyl-2,4-diketo-pyr...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NC(=S)N(CCCOC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
Show InChI InChI=1S/C27H35N5O4S/c1-36-9-5-8-31(21-22(28)32(25(35)29-23(21)33)16-17-6-3-2-4-7-17)26(37)30-24(34)27-13-18-10-19(14-27)12-20(11-18)15-27/h2-4,6-7,18-20H,5,8-16,28H2,1H3,(H,29,33,35)(H,30,34,37)
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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM47461
PNG
((E)-3-(5-Chloro-1-methyl-1H-imidazol-2-yl)-1-(2-hy...)
Show SMILES Cn1c(Cl)cnc1\C=C\C(=O)c1ccccc1O
Show InChI InChI=1S/C13H11ClN2O2/c1-16-12(14)8-15-13(16)7-6-11(18)9-4-2-3-5-10(9)17/h2-8,17H,1H3/b7-6+
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83806
PNG
(2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methy...)
Show SMILES COc1ccc(CNCCc2c[nH]c3ccccc23)c(OC)c1OC
Show InChI InChI=1S/C20H24N2O3/c1-23-18-9-8-15(19(24-2)20(18)25-3)12-21-11-10-14-13-22-17-7-5-4-6-16(14)17/h4-9,13,21-22H,10-12H2,1-3H3
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83808
PNG
(5-bromanyl-6-oxidanylidene-N-(2-phenylethyl)pyran-...)
Show SMILES Brc1cc(coc1=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C14H12BrNO3/c15-12-8-11(9-19-14(12)18)13(17)16-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM8296
PNG
(3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4|
Show InChI InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83818
PNG
(3-(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1...)
Show SMILES CCc1ccc(NC(=O)CCn2nc(C)c(c2C)S(=O)(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C21H30N4O3S/c1-4-18-8-10-19(11-9-18)22-20(26)12-15-25-17(3)21(16(2)23-25)29(27,28)24-13-6-5-7-14-24/h8-11H,4-7,12-15H2,1-3H3,(H,22,26)
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83820
PNG
(9-Amino-acridinium | 9-acridin-10-iumamine;chlorid...)
Show SMILES Nc1c2ccccc2[nH+]c2ccccc12
Show InChI InChI=1S/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15)/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83826
PNG
((2S)-2-[[[(2R)-1-ethoxy-1-oxopropan-2-yl]-[(4-meth...)
Show SMILES CCOC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)S(=O)(=O)N(Cc1ccccc1)[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C26H36N2O7S/c1-7-35-25(29)20(4)27(17-22-13-15-23(33-5)16-14-22)36(31,32)28(18-21-11-9-8-10-12-21)24(19(2)3)26(30)34-6/h8-16,19-20,24H,7,17-18H2,1-6H3/t20-,24+/m1/s1
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83829
PNG
(4,5-bis(chloranyl)-2-[2-(2,3-dihydro-1,4-benzodiox...)
Show SMILES Clc1cnn(CC(=O)c2ccc3OCCOc3c2)c(=O)c1Cl
Show InChI InChI=1S/C14H10Cl2N2O4/c15-9-6-17-18(14(20)13(9)16)7-10(19)8-1-2-11-12(5-8)22-4-3-21-11/h1-2,5-6H,3-4,7H2
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83835
PNG
(2-amino-4-[(4-cyanobenzyl)thio]-1-(4-phenylthiazol...)
Show SMILES NC1=NC(SCc2ccc(cc2)C#N)=C(C#N)C2(CCCCC2)C1c1nc(cs1)-c1ccccc1 |t:1,14|
Show InChI InChI=1S/C28H25N5S2/c29-15-19-9-11-20(12-10-19)17-34-26-22(16-30)28(13-5-2-6-14-28)24(25(31)33-26)27-32-23(18-35-27)21-7-3-1-4-8-21/h1,3-4,7-12,18,24H,2,5-6,13-14,17H2,(H2,31,33)
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83836
PNG
(1-(2-hydroxyphenyl)-3-(2-pyridinyl)-2-propen-1-one...)
Show SMILES Oc1ccccc1C(=O)C=Cc1ccccn1
Show InChI InChI=1S/C14H11NO2/c16-13-7-2-1-6-12(13)14(17)9-8-11-5-3-4-10-15-11/h1-10,16H
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM50132299
PNG
(1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-hydroxymethyl-tet...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83844
PNG
(4-amino-4-dithiolanecarboxylic acid | 4-aminodithi...)
Show SMILES NC1(CSSC1)C(O)=O
Show InChI InChI=1S/C4H7NO2S2/c5-4(3(6)7)1-8-9-2-4/h1-2,5H2,(H,6,7)
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83851
PNG
(3,3-bis(benzenesulfonyl)propanoic acid tert-butyl ...)
Show SMILES CC(C)(C)OC(=O)CC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22O6S2/c1-19(2,3)25-17(20)14-18(26(21,22)15-10-6-4-7-11-15)27(23,24)16-12-8-5-9-13-16/h4-13,18H,14H2,1-3H3
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83860
PNG
(4-(2,4-dinitrophenyl)sulfanylpyrimidine | 4-[(2,4-...)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccncn2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C10H6N4O4S/c15-13(16)7-1-2-9(8(5-7)14(17)18)19-10-3-4-11-6-12-10/h1-6H
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83862
PNG
(2-[[2-keto-2-[2-morpholino-5-(trifluoromethyl)anil...)
Show SMILES Cc1cccc(NC(=O)CSCC(=O)Nc2cc(ccc2N2CCOCC2)C(F)(F)F)c1
Show InChI InChI=1S/C22H24F3N3O3S/c1-15-3-2-4-17(11-15)26-20(29)13-32-14-21(30)27-18-12-16(22(23,24)25)5-6-19(18)28-7-9-31-10-8-28/h2-6,11-12H,7-10,13-14H2,1H3,(H,26,29)(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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83870
PNG
(6-(2-chlorophenyl)-3-methyl-3-[[6-(trifluoromethyl...)
Show SMILES CC1(Cc2ccc(nc2)C(F)(F)F)C(=O)Nc2cc(ccc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H16ClF3N2O/c1-21(11-13-6-9-19(27-12-13)22(24,25)26)16-8-7-14(10-18(16)28-20(21)29)15-4-2-3-5-17(15)23/h2-10,12H,11H2,1H3,(H,28,29)
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM68588
PNG
(2-(4-carbethoxyphenyl)imino-3-(2-furfuryl)-4-keto-...)
Show SMILES CCOC(=O)c1ccc(cc1)\N=c1/sc(cc(=O)n1Cc1ccco1)C(=O)OC
Show InChI InChI=1S/C20H18N2O6S/c1-3-27-18(24)13-6-8-14(9-7-13)21-20-22(12-15-5-4-10-28-15)17(23)11-16(29-20)19(25)26-2/h4-11H,3,12H2,1-2H3/b21-20-
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83745
PNG
(4-(3-Chloro-4-hydroxy-5-methoxy-phenyl)-1,6-dimeth...)
Show SMILES COC(=O)C1=C(C)N(C)C(=O)NC1c1cc(Cl)c(O)c(OC)c1 |c:4|
Show InChI InChI=1S/C15H17ClN2O5/c1-7-11(14(20)23-4)12(17-15(21)18(7)2)8-5-9(16)13(19)10(6-8)22-3/h5-6,12,19H,1-4H3,(H,17,21)
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM61665
PNG
(3-(4-chlorophenyl)-1-(4-methylanilino)pyrrole-2,5-...)
Show SMILES Cc1ccc(NN2C(=O)C=C(C2=O)c2ccc(Cl)cc2)cc1 |c:9|
Show InChI InChI=1S/C17H13ClN2O2/c1-11-2-8-14(9-3-11)19-20-16(21)10-15(17(20)22)12-4-6-13(18)7-5-12/h2-10,19H,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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM58965
PNG
(2-(2,4-dinitrophenyl)sulfanyl-1,3-benzoxazole | 2-...)
Show SMILES [O-][N+](=O)c1ccc(Sc2nc3ccccc3o2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H7N3O5S/c17-15(18)8-5-6-12(10(7-8)16(19)20)22-13-14-9-3-1-2-4-11(9)21-13/h1-7H
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83750
PNG
(2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin...)
Show SMILES CC(Sc1nc2scc(-c3ccccc3)c2c(=O)n1CC=C)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C26H23N3O4S2/c1-3-11-29-25(31)22-19(18-7-5-4-6-8-18)14-34-24(22)28-26(29)35-16(2)23(30)27-13-17-9-10-20-21(12-17)33-15-32-20/h3-10,12,14,16H,1,11,13,15H2,2H3,(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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83752
PNG
(MLS000547539 | N-(6-allyloxy-1H-benzimidazol-2-yl)...)
Show SMILES COC(=O)Nc1nc2ccc(OCC=C)cc2[nH]1
Show InChI InChI=1S/C12H13N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h3-5,7H,1,6H2,2H3,(H2,13,14,15,16)
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM57258
PNG
((6E)-6-[[2-[4-(3,5-dimethylpyrazol-1-yl)-6-phenyla...)
Show SMILES COc1cccc(CN=Nc2nc(Nc3ccccc3)nc(n2)-n2nc(C)cc2C)c1O |w:9.9|
Show InChI InChI=1S/C22H22N8O2/c1-14-12-15(2)30(29-14)22-26-20(24-17-9-5-4-6-10-17)25-21(27-22)28-23-13-16-8-7-11-18(32-3)19(16)31/h4-12,31H,13H2,1-3H3,(H,24,25,26,27)
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM56526
PNG
(5-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)thien...)
Show SMILES Fc1ccc(cc1)-c1csc2ncnc(Nc3ccc(cc3)N3CCOCC3)c12
Show InChI InChI=1S/C22H19FN4OS/c23-16-3-1-15(2-4-16)19-13-29-22-20(19)21(24-14-25-22)26-17-5-7-18(8-6-17)27-9-11-28-12-10-27/h1-8,13-14H,9-12H2,(H,24,25,26)
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM72152
PNG
(5,8-dinitro-2-(2-pyridinyl)benzo[de]isoquinoline-1...)
Show SMILES [O-][N+](=O)c1cc2C(=O)N(C(=O)c3cc(cc(c1)c23)[N+]([O-])=O)c1ccccn1
Show InChI InChI=1S/C17H8N4O6/c22-16-12-7-10(20(24)25)5-9-6-11(21(26)27)8-13(15(9)12)17(23)19(16)14-3-1-2-4-18-14/h1-8H
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83765
PNG
(MLS000583278 | N-({[3-chloro-2-(1-piperidinyl)phen...)
Show SMILES CCCCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1
Show InChI InChI=1S/C17H24ClN3OS/c1-2-3-10-15(22)20-17(23)19-14-9-7-8-13(18)16(14)21-11-5-4-6-12-21/h7-9H,2-6,10-12H2,1H3,(H2,19,20,22,23)
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83768
PNG
(MLS000559791 | N-Cyclohexyl-2-[(3,4-dimethyl-pheny...)
Show SMILES Cc1ccc(cc1C)N(C(C(=O)NC1CCCCC1)c1ccccn1)C(=O)Cc1cccs1
Show InChI InChI=1S/C27H31N3O2S/c1-19-13-14-22(17-20(19)2)30(25(31)18-23-11-8-16-33-23)26(24-12-6-7-15-28-24)27(32)29-21-9-4-3-5-10-21/h6-8,11-17,21,26H,3-5,9-10,18H2,1-2H3,(H,29,32)
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83769
PNG
(2-[[[cyclohexyl(thiophen-2-ylmethyl)amino]-sulfany...)
Show SMILES CCOC(=O)CNC(=S)N(Cc1cccs1)C1CCCCC1
Show InChI InChI=1S/C16H24N2O2S2/c1-2-20-15(19)11-17-16(21)18(12-14-9-6-10-22-14)13-7-4-3-5-8-13/h6,9-10,13H,2-5,7-8,11-12H2,1H3,(H,17,21)
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83773
PNG
(7-(4-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-d]pyrim...)
Show SMILES Fc1ccc(cc1)-n1cc(-c2ccccc2)c2c1nc[nH]c2=O
Show InChI InChI=1S/C18H12FN3O/c19-13-6-8-14(9-7-13)22-10-15(12-4-2-1-3-5-12)16-17(22)20-11-21-18(16)23/h1-11H,(H,20,21,23)
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM68048
PNG
((7-chloro-4-nitro-benzofurazan-5-yl)amine | 7-Chlo...)
Show SMILES Nc1cc(Cl)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C6H3ClN4O3/c7-2-1-3(8)6(11(12)13)5-4(2)9-14-10-5/h1H,8H2
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM51106
PNG
(2-[3-(dimethylamino)propyl]-6-nitro-1H-benzo[de]is...)
Show SMILES CN(C)CCCN1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
Show InChI InChI=1S/C17H17N3O4/c1-18(2)9-4-10-19-16(21)12-6-3-5-11-14(20(23)24)8-7-13(15(11)12)17(19)22/h3,5-8H,4,9-10H2,1-2H3
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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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%