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Compile Data Set for Download or QSAR

Found 241 hits of kd data for polymerid = 5623   
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)
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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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)
BDBM79560
PNG
((5E)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-1-(4-pr...)
Show SMILES CC(C)c1ccc(cc1)N1C(=O)NC(=O)C(=CC=Cc2ccco2)C1=O |w:16.17,18.19|
Show InChI InChI=1S/C20H18N2O4/c1-13(2)14-8-10-15(11-9-14)22-19(24)17(18(23)21-20(22)25)7-3-5-16-6-4-12-26-16/h3-13H,1-2H3,(H,21,23,25)
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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)
BDBM83761
PNG
(2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]...)
Show SMILES CCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H25N3O4S/c1-3-17-25-23(28)19-13-7-9-15-21(19)26-24(29)20-14-8-10-16-22(20)27(2)32(30,31)18-11-5-4-6-12-18/h4-16H,3,17H2,1-2H3,(H,25,28)(H,26,29)
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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)
BDBM70708
PNG
(2-[6-chloro-2-(4-chlorophenyl)-4-phenyl-4H-quinazo...)
Show SMILES COC(=O)CN1C(c2ccccc2)c2cc(Cl)ccc2N=C1c1ccc(Cl)cc1 |c:22|
Show InChI InChI=1S/C23H18Cl2N2O2/c1-29-21(28)14-27-22(15-5-3-2-4-6-15)19-13-18(25)11-12-20(19)26-23(27)16-7-9-17(24)10-8-16/h2-13,22H,14H2,1H3
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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)
BDBM83764
PNG
(1-(2,5-diketo-1-p-phenetyl-pyrrolidin-3-yl)-1-homo...)
Show SMILES CCOc1ccc(cc1)-n1c(O)cc(N(CCc2ccc(OC)c(OC)c2)C(=S)Nc2ccccc2)c1O
Show InChI InChI=1S/C29H31N3O5S/c1-4-37-23-13-11-22(12-14-23)32-27(33)19-24(28(32)34)31(29(38)30-21-8-6-5-7-9-21)17-16-20-10-15-25(35-2)26(18-20)36-3/h5-15,18-19,33-34H,4,16-17H2,1-3H3,(H,30,38)
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PubChem Bioassay (2011)


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


(Aspergillus niger)
BDBM83766
PNG
((2,2,4-trimethyl-1H-quinolin-6-yl) 3-(1,3-dioxoiso...)
Show SMILES CC1=CC(C)(C)Nc2ccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)cc12 |t:1|
Show InChI InChI=1S/C23H22N2O4/c1-14-13-23(2,3)24-19-9-8-15(12-18(14)19)29-20(26)10-11-25-21(27)16-6-4-5-7-17(16)22(25)28/h4-9,12-13,24H,10-11H2,1-3H3
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PubChem Bioassay (2011)


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


(Aspergillus niger)
BDBM83767
PNG
(MLS000554583 | N-[4-[(3-carbazol-9-yl-2-hydroxy-pr...)
Show SMILES CC(=O)Nc1ccc(cc1)N(CC(O)Cn1c2ccccc2c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C30H29N3O4S/c1-21-11-17-26(18-12-21)38(36,37)33(24-15-13-23(14-16-24)31-22(2)34)20-25(35)19-32-29-9-5-3-7-27(29)28-8-4-6-10-30(28)32/h3-18,25,35H,19-20H2,1-2H3,(H,31,34)
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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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PubChem Bioassay (2011)


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


(Aspergillus niger)
BDBM83770
PNG
((1E)-1-(2-thioxo-1,3-benzoxazol-3(2H)-yl)hept-1-en...)
Show SMILES CCCCC(=O)C=Cn1c2ccccc2oc1=S |w:7.7|
Show InChI InChI=1S/C14H15NO2S/c1-2-3-6-11(16)9-10-15-12-7-4-5-8-13(12)17-14(15)18/h4-5,7-10H,2-3,6H2,1H3
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PubChem Bioassay (2011)


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


(Aspergillus niger)
BDBM83771
PNG
(MLS000580953 | N-[2-(4,6-Dimethyl-pyrimidin-2-ylsu...)
Show SMILES Cc1cc(C)nc(SC2C(NS(=O)(=O)c3ccccc3)c3cccc4cccc2c34)n1
Show InChI InChI=1S/C24H21N3O2S2/c1-15-14-16(2)26-24(25-15)30-23-20-13-7-9-17-8-6-12-19(21(17)20)22(23)27-31(28,29)18-10-4-3-5-11-18/h3-14,22-23,27H,1-2H3
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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)
BDBM83774
PNG
(3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol...)
Show SMILES O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(cs1)-c1cccs1
Show InChI InChI=1S/C16H14N2O3S3/c19-15(8-10-24(20,21)12-5-2-1-3-6-12)18-16-17-13(11-23-16)14-7-4-9-22-14/h1-7,9,11H,8,10H2,(H,17,18,19)
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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)
BDBM80900
PNG
(2-(2-Chloro-benzylsulfanyl)-3-ethyl-6,7,8,9-tetrah...)
Show SMILES CCn1c(SCc2ccccc2Cl)nc2nc3CCCCc3cc2c1=O
Show InChI InChI=1S/C20H20ClN3OS/c1-2-24-19(25)15-11-13-7-4-6-10-17(13)22-18(15)23-20(24)26-12-14-8-3-5-9-16(14)21/h3,5,8-9,11H,2,4,6-7,10,12H2,1H3
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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)
BDBM59520
PNG
((E)-N-(3,5-dimethylphenyl)-3-(5-nitro-2-thienyl)ac...)
Show SMILES Cc1cc(C)cc(NC(=O)\C=C\c2ccc(s2)[N+]([O-])=O)c1
Show InChI InChI=1S/C15H14N2O3S/c1-10-7-11(2)9-12(8-10)16-14(18)5-3-13-4-6-15(21-13)17(19)20/h3-9H,1-2H3,(H,16,18)/b5-3+
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PubChem Bioassay (2011)


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


(Aspergillus niger)
BDBM83775
PNG
(MLS000697335 | N-ethyl-N-[3-(9-fluorenylideneamino...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6](-[#8])-[#6]-[#8]\[#7]=[#6]-1\c2ccccc2-c2ccccc-12)S(=O)(=O)c1ccc(-[#6])cc1
Show InChI InChI=1S/C25H26N2O4S/c1-3-27(32(29,30)20-14-12-18(2)13-15-20)16-19(28)17-31-26-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-15,19,28H,3,16-17H2,1-2H3
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PubChem Bioassay (2011)


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


(Aspergillus niger)
BDBM83776
PNG
(2-[[2-[[(5E)-5-(3-indolylidene)-4-(2-methoxyethyl)...)
Show SMILES CCOC(=O)c1c2CCCCCc2sc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1CCOC
Show InChI InChI=1S/C27H31N5O4S2/c1-3-36-26(34)23-18-10-5-4-6-12-21(18)38-25(23)29-22(33)16-37-27-31-30-24(32(27)13-14-35-2)19-15-28-20-11-8-7-9-17(19)20/h7-9,11,15,28H,3-6,10,12-14,16H2,1-2H3,(H,29,33)
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PubChem Bioassay (2011)


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


(Aspergillus niger)
BDBM83777
PNG
(MLS000390844 | N-[(4-chloranyl-3-nitro-phenyl)meth...)
Show SMILES Cc1cc(C(=O)N\N=C\c2ccc(Cl)c(c2)[N+]([O-])=O)c(C)n1-c1ccc(F)cc1
Show InChI InChI=1S/C20H16ClFN4O3/c1-12-9-17(13(2)25(12)16-6-4-15(22)5-7-16)20(27)24-23-11-14-3-8-18(21)19(10-14)26(28)29/h3-11H,1-2H3,(H,24,27)/b23-11+
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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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PubChem Bioassay (2011)


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


(Aspergillus niger)
BDBM83778
PNG
(MLS000392284 | N-[5-[4-(difluoromethylthio)benzyl]...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ncc(Cc2ccc(SC(F)F)cc2)s1
Show InChI InChI=1S/C19H16F2N2OS2/c1-12-2-6-14(7-3-12)17(24)23-19-22-11-16(26-19)10-13-4-8-15(9-5-13)25-18(20)21/h2-9,11,18H,10H2,1H3,(H,22,23,24)
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PubChem Bioassay (2011)


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


(Aspergillus niger)
BDBM83779
PNG
(MLS000393669 | N-[2-(3,4-dimethoxyphenyl)ethyl]-N-...)
Show SMILES COc1ccc(CCN(C)c2ccc(cc2[N+]([O-])=O)S(=O)(=O)N2CCCC2)cc1OC
Show InChI InChI=1S/C21H27N3O6S/c1-22(13-10-16-6-9-20(29-2)21(14-16)30-3)18-8-7-17(15-19(18)24(25)26)31(27,28)23-11-4-5-12-23/h6-9,14-15H,4-5,10-13H2,1-3H3
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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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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)
BDBM83780
PNG
(2-[[2-(2,4-diketo-6-methyl-1,3-diazaspiro[4.5]deca...)
Show SMILES CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)scc1-c1ccc(F)cc1
Show InChI InChI=1S/C24H26FN3O5S/c1-3-33-21(30)19-17(15-7-9-16(25)10-8-15)13-34-20(19)26-18(29)12-28-22(31)24(27-23(28)32)11-5-4-6-14(24)2/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,26,29)(H,27,32)
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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)
BDBM42064
PNG
(1-[1-(2-chlorophenyl)-2-keto-cyclohexyl]-3-cyclohe...)
Show SMILES CN(C(=S)NC1CCCCC1)C1(CCCCC1=O)c1ccccc1Cl
Show InChI InChI=1S/C20H27ClN2OS/c1-23(19(25)22-15-9-3-2-4-10-15)20(14-8-7-13-18(20)24)16-11-5-6-12-17(16)21/h5-6,11-12,15H,2-4,7-10,13-14H2,1H3,(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 (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)
BDBM83781
PNG
(4-amino-2-[(E)-3-(2,5-dimethoxyphenyl)-1-oxoprop-2...)
Show SMILES COc1ccc(OC)c(\C=C\C(=O)N2C(=O)c3cccc(N)c3C2=O)c1
Show InChI InChI=1S/C19H16N2O5/c1-25-12-7-8-15(26-2)11(10-12)6-9-16(22)21-18(23)13-4-3-5-14(20)17(13)19(21)24/h3-10H,20H2,1-2H3/b9-6+
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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)
BDBM50354
PNG
(2-(4,5-dichloro-6-keto-pyridazin-1-yl)-N-(4-methox...)
Show SMILES COc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C17H18Cl2N4O6S/c1-28-13-3-2-11(8-14(13)30(26,27)22-4-6-29-7-5-22)21-15(24)10-23-17(25)16(19)12(18)9-20-23/h2-3,8-9H,4-7,10H2,1H3,(H,21,24)
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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)
BDBM83782
PNG
(2-methyl-5-(1-piperidinyl)-3-pyrazolo[1,5-a]quinaz...)
Show SMILES Cc1nn2c(nc(N3CCCCC3)c3ccccc23)c1C=O
Show InChI InChI=1S/C17H18N4O/c1-12-14(11-22)17-18-16(20-9-5-2-6-10-20)13-7-3-4-8-15(13)21(17)19-12/h3-4,7-8,11H,2,5-6,9-10H2,1H3
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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)
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

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)
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

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)
BDBM83783
PNG
(2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imid...)
Show SMILES COc1ccc(cc1)-c1nc([nH]c1SCC(=O)Nc1nccs1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN4O2S2/c1-28-16-8-4-13(5-9-16)18-20(30-12-17(27)24-21-23-10-11-29-21)26-19(25-18)14-2-6-15(22)7-3-14/h2-11H,12H2,1H3,(H,25,26)(H,23,24,27)
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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)
BDBM83784
PNG
(2-(4-butyl-3,5-diketo-1,2-diphenyl-pyrazolidin-4-y...)
Show SMILES CCCCC1(CC(=O)OCC)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26N2O4/c1-3-5-16-23(17-20(26)29-4-2)21(27)24(18-12-8-6-9-13-18)25(22(23)28)19-14-10-7-11-15-19/h6-15H,3-5,16-17H2,1-2H3
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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)
BDBM83785
PNG
((5E)-1-benzyl-5-[(1-methylpyrrol-2-yl)methylene]ba...)
Show SMILES Cn1cccc1\C=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C17H15N3O3/c1-19-9-5-8-13(19)10-14-15(21)18-17(23)20(16(14)22)11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,18,21,23)/b14-10+
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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 (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)
BDBM66001
PNG
((4Z)-4-[(1,3-diphenyl-4-pyrazolyl)methylidene]-3-m...)
Show SMILES C=c1[nH][nH]c(=O)c1=Cc1cn(nc1-c1ccccc1)-c1ccccc1 |w:7.8|
Show InChI InChI=1S/C20H14N4O/c1-14-18(20(25)22-21-14)12-16-13-24(17-10-6-3-7-11-17)23-19(16)15-8-4-2-5-9-15/h2-13H,1H2
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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)
BDBM47432
PNG
(5,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium;io...)
Show SMILES Cc1cc2[nH+]c3c(cn(C)c4ccccc34)c2cc1C
Show InChI InChI=1S/C18H16N2/c1-11-8-14-15-10-20(3)17-7-5-4-6-13(17)18(15)19-16(14)9-12(11)2/h4-10H,1-3H3/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)
BDBM83786
PNG
(MLS000683363 | N'-(2-bromo-3-phenyl-2-propen-1...)
Show SMILES BrC(C=NNC(=O)c1cc(n[nH]1)-c1ccco1)=Cc1ccccc1 |w:3.3,17.19|
Show InChI InChI=1S/C17H13BrN4O2/c18-13(9-12-5-2-1-3-6-12)11-19-22-17(23)15-10-14(20-21-15)16-7-4-8-24-16/h1-11H,(H,20,21)(H,22,23)/b13-9-,19-11+
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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 (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)
BDBM83787
PNG
(3-(1-adamantyl)-1-(phenylmethyl)-1-(pyridin-4-ylme...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)N(Cc1ccccc1)Cc1ccncc1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
Show InChI InChI=1S/C24H29N3O/c28-23(26-24-13-20-10-21(14-24)12-22(11-20)15-24)27(16-18-4-2-1-3-5-18)17-19-6-8-25-9-7-19/h1-9,20-22H,10-17H2,(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 (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

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)
BDBM59003
PNG
(MLS000693013 | N-[4-(1-azepanyl)phenyl]-2-chloroac...)
Show SMILES ClCC(=O)Nc1ccc(cc1)N1CCCCCC1
Show InChI InChI=1S/C14H19ClN2O/c15-11-14(18)16-12-5-7-13(8-6-12)17-9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,16,18)
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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)
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

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)
BDBM83789
PNG
(MLS000718916 | N-[3-chloro-4-[4-(1-oxobutyl)-1-pip...)
Show SMILES CCCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)[N+]([O-])=O)cc1Cl
Show InChI InChI=1S/C19H21ClN4O5/c1-2-3-17(25)23-10-8-22(9-11-23)15-5-4-13(12-14(15)20)21-19(26)16-6-7-18(29-16)24(27)28/h4-7,12H,2-3,8-11H2,1H3,(H,21,26)
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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)
BDBM83790
PNG
(2-{[(5-nitro-2-furyl)methylene]amino}hexahydro-4,6...)
Show SMILES [H]C12C=CC([H])(C3CC13)C1C2C(=O)N(N=Cc2ccc(o2)[N+]([O-])=O)C1=O |c:2,TLB:24:9:6.8:2.3,7:8:10.9:2.3,THB:11:10:6.8:2.3,7:6:10.9:2.3|
Show InChI InChI=1S/C16H13N3O5/c20-15-13-8-2-3-9(11-5-10(8)11)14(13)16(21)18(15)17-6-7-1-4-12(24-7)19(22)23/h1-4,6,8-11,13-14H,5H2
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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)
BDBM60252
PNG
(MLS000723453 | N'-[(1E)-(6-methylpyridin-2-yl)...)
Show SMILES Cc1cccc(\C=N\NC(=O)c2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C14H12N4O3/c1-10-4-2-6-12(16-10)9-15-17-14(19)11-5-3-7-13(8-11)18(20)21/h2-9H,1H3,(H,17,19)/b15-9+
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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)
BDBM46793
PNG
(CHEMBL1617574 | MLS000419194 | N-[3-(1,3-benzothia...)
Show SMILES CC(C)N1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1
Show InChI InChI=1S/C19H21N3OS2/c1-11(2)22-9-8-13-16(10-22)25-18(20-12(3)23)17(13)19-21-14-6-4-5-7-15(14)24-19/h4-7,11H,8-10H2,1-3H3,(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 (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)
BDBM83791
PNG
(3-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4-pro...)
Show SMILES COc1ccc(cc1OC)-c1nc(cs1)-c1n[nH]c(=S)n1CC=C
Show InChI InChI=1S/C16H16N4O2S2/c1-4-7-20-14(18-19-16(20)23)11-9-24-15(17-11)10-5-6-12(21-2)13(8-10)22-3/h4-6,8-9H,1,7H2,2-3H3,(H,19,23)
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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)
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

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)
BDBM72586
PNG
(2-[[5-chloranyl-2-(dimethylamino)-1-(4-fluoropheny...)
Show SMILES [#6]-[#7](-[#6])-c1nc(\[#6]=[#6](\C#N)C#N)c(Cl)n1-c1ccc(F)cc1
Show InChI InChI=1S/C15H11ClFN5/c1-21(2)15-20-13(7-10(8-18)9-19)14(16)22(15)12-5-3-11(17)4-6-12/h3-7H,1-2H3
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n/an/an/an/a>5.96E+4n/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 (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)
BDBM71104
PNG
(2-chloranyl-1-[1-(4-methoxyphenyl)-2,5-dimethyl-py...)
Show SMILES COc1ccc(cc1)-n1c(C)cc(C(=O)CCl)c1C
Show InChI InChI=1S/C15H16ClNO2/c1-10-8-14(15(18)9-16)11(2)17(10)12-4-6-13(19-3)7-5-12/h4-8H,9H2,1-3H3
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n/an/an/an/a>5.97E+4n/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 (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)
BDBM69336
PNG
(4-(2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiol...)
Show SMILES O=C1CN(CCN1)c1nc(nc2sc3CCCCc3c12)-c1cccnc1
Show InChI InChI=1S/C19H19N5OS/c25-15-11-24(9-8-21-15)18-16-13-5-1-2-6-14(13)26-19(16)23-17(22-18)12-4-3-7-20-10-12/h3-4,7,10H,1-2,5-6,8-9,11H2,(H,21,25)
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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)
BDBM65503
PNG
(2-chlorobenzoic acid [5-chloro-7-(4-morpholinylmet...)
Show SMILES Clc1ccccc1C(=O)Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12
Show InChI InChI=1S/C21H18Cl2N2O3/c22-17-6-2-1-4-16(17)21(26)28-20-14(13-25-8-10-27-11-9-25)12-18(23)15-5-3-7-24-19(15)20/h1-7,12H,8-11,13H2
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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)
BDBM83793
PNG
(3-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-eth...)
Show SMILES Cc1cc(C(=O)CN2NS(=O)(=O)c3ccccc3C2=O)c(C)n1CC=C
Show InChI InChI=1S/C18H19N3O4S/c1-4-9-20-12(2)10-15(13(20)3)16(22)11-21-18(23)14-7-5-6-8-17(14)26(24,25)19-21/h4-8,10,19H,1,9,11H2,2-3H3
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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)
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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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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