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Compile Data Set for Download or QSAR

Found 59 hits of ic50 data for polymerid = 50002567,5124   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
AICAR transformylase


(Homo sapiens (Human))
BDBM50369444
PNG
(CHEMBL608337)
Show SMILES NC(=O)c1ncn(C2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c1C=CC(=O)N(CC1=Nc2c(CC1)nc(N)[nH]c2=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C32H36N9O15P/c33-27(47)24-19(41(13-35-24)30-26(46)25(45)20(56-30)12-55-57(52,53)54)8-9-21(42)40(11-15-3-6-17-23(36-15)29(49)39-32(34)38-17)16-4-1-14(2-5-16)28(48)37-18(31(50)51)7-10-22(43)44/h1-2,4-5,8-9,13,18,20,25-26,30,45-46H,3,6-7,10-12H2,(H2,33,47)(H,37,48)(H,43,44)(H,50,51)(H2,52,53,54)(H3,34,38,39,49)/t18-,20+,25+,26+,30?/m0/s1
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n/an/a 125n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibitory activity against AICAR formyltransferase


J Med Chem 42: 3421-4 (1999)

More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50158378
PNG
(5-(5-sulfamoyl-naphthalen-2-ylazo)-naphthalene-1-s...)
Show SMILES NS(=O)(=O)c1cccc2cc(ccc12)\N=N\c1cccc2c(cccc12)S(O)(=O)=O
Show InChI InChI=1S/C20H15N3O5S2/c21-29(24,25)19-8-1-4-13-12-14(10-11-15(13)19)22-23-18-7-2-6-17-16(18)5-3-9-20(17)30(26,27)28/h1-12H,(H2,21,24,25)(H,26,27,28)/b23-22+
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n/an/a 600n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human AICAR Tfase


J Med Chem 47: 6681-90 (2004)

More data for this
Ligand-Target Pair
AICAR transformylase


(Mus musculus)
BDBM50005520
PNG
((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...)
Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Hexaglutamyl homologue inhibition activity against the AICAR formyltransferase was determined against L cell


Citation and Details
More data for this
Ligand-Target Pair
AICAR Tfase


(Homo sapiens (Human))
BDBM22584
PNG
(5-bromo-2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thio...)
Show SMILES OS(=O)(=O)Oc1c([nH]c2ccc(Br)cc12)-c1sc2c(ccc3cccc(Cl)c23)c1OS(O)(=O)=O
Show InChI InChI=1S/C20H11BrClNO8S3/c21-10-5-7-14-12(8-10)17(30-33(24,25)26)16(23-14)20-18(31-34(27,28)29)11-6-4-9-2-1-3-13(22)15(9)19(11)32-20/h1-8,23H,(H,24,25,26)(H,27,28,29)
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n/an/a 1.40E+3n/an/an/an/a7.522



The Scripps Research Institute



Assay Description
The human ATIC enzyme was used for the inhibition assay. The assay buffer was flushed with nitrogen to minimize oxidization of cofactor 10-f-THF. The...


J Biol Chem 279: 50555-65 (2004)

More data for this
Ligand-Target Pair
AICAR transformylase


(Mus musculus)
BDBM50005520
PNG
((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...)
Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Triglutamyl homologue inhibition activity against AICAR formyltransferase was determined against L cell


Citation and Details
More data for this
Ligand-Target Pair
AICAR Tfase


(Homo sapiens (Human))
BDBM22580
PNG
(47729-M | 5-chloro-2-{5-hydroxy-3-methyl-4-[(E)-2-...)
Show SMILES Cc1[nH]n(-c2ccc(Cl)cc2S(O)(=O)=O)c(=O)c1N=Nc1ccc(cc1)S(=O)(=O)Oc1ccc(C)cc1
Show InChI InChI=1S/C23H19ClN4O7S2/c1-14-3-8-18(9-4-14)35-37(33,34)19-10-6-17(7-11-19)25-26-22-15(2)27-28(23(22)29)20-12-5-16(24)13-21(20)36(30,31)32/h3-13,27H,1-2H3,(H,30,31,32)
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n/an/a 3.30E+3n/an/an/an/a7.522



The Scripps Research Institute



Assay Description
The human ATIC enzyme was used for the inhibition assay. The assay buffer was flushed with nitrogen to minimize oxidization of cofactor 10-f-THF. The...


J Biol Chem 279: 50555-65 (2004)

More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM22580
PNG
(47729-M | 5-chloro-2-{5-hydroxy-3-methyl-4-[(E)-2-...)
Show SMILES Cc1[nH]n(-c2ccc(Cl)cc2S(O)(=O)=O)c(=O)c1N=Nc1ccc(cc1)S(=O)(=O)Oc1ccc(C)cc1
Show InChI InChI=1S/C23H19ClN4O7S2/c1-14-3-8-18(9-4-14)35-37(33,34)19-10-6-17(7-11-19)25-26-22-15(2)27-28(23(22)29)20-12-5-16(24)13-21(20)36(30,31)32/h3-13,27H,1-2H3,(H,30,31,32)
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n/an/a 3.30E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human AICAR Tfase


J Med Chem 47: 6681-90 (2004)

More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50158388
PNG
(4-(1-aminonaphthalene-6-sulfonamido)benzoic acid |...)
Show SMILES Nc1cccc2cc(ccc12)S(=O)(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H14N2O4S/c18-16-3-1-2-12-10-14(8-9-15(12)16)24(22,23)19-13-6-4-11(5-7-13)17(20)21/h1-10,19H,18H2,(H,20,21)
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n/an/a 4.10E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human AICAR Tfase


J Med Chem 47: 6681-90 (2004)

More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50022388
PNG
(2-{4-[(2-Amino-4-hydroxy-pyrido[3,2-d]pyrimidin-6-...)
Show SMILES Nc1nc2ccc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2c(=O)[nH]1
Show InChI InChI=1S/C20H20N6O6/c21-20-25-13-6-5-12(23-16(13)18(30)26-20)9-22-11-3-1-10(2-4-11)17(29)24-14(19(31)32)7-8-15(27)28/h1-6,14,22H,7-9H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,25,26,30)
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n/an/a 6.40E+3n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibitory activity against AICAR formyltransferase of Lactobacillus casei


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50080319
PNG
(10-Formyl-8-deazafolic acid | CHEMBL114215)
Show SMILES Nc1nc2CCC(CN(C=O)c3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)=Nc2c(=O)[nH]1
Show InChI InChI=1S/C21H22N6O7/c22-21-25-14-6-3-12(23-17(14)19(32)26-21)9-27(10-28)13-4-1-11(2-5-13)18(31)24-15(20(33)34)7-8-16(29)30/h1-2,4-5,10,15H,3,6-9H2,(H,24,31)(H,29,30)(H,33,34)(H3,22,25,26,32)/t15-/m1/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibitory activity against AICAR formyltransferase


J Med Chem 42: 3421-4 (1999)

More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50158380
PNG
(3-(4-amino-2-methyl-phenylazo)-naphthalene-1,5-dis...)
Show SMILES Cc1cc(N)ccc1\N=N\c1cc(c2cccc(c2c1)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C17H15N3O6S2/c1-10-7-11(18)5-6-15(10)20-19-12-8-14-13(17(9-12)28(24,25)26)3-2-4-16(14)27(21,22)23/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26)/b20-19+
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n/an/a 7.60E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human AICAR Tfase


J Med Chem 47: 6681-90 (2004)

More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50158381
PNG
((Z)-1,2-bis(4-sulfonaphthalen-2-yl)diazene oxide |...)
Show SMILES OS(=O)(=O)c1cc([N-][N+](=O)c2cc(c3ccccc3c2)S(O)(=O)=O)cc2ccccc12
Show InChI InChI=1S/C20H14N2O7S2/c23-22(16-10-14-6-2-4-8-18(14)20(12-16)31(27,28)29)21-15-9-13-5-1-3-7-17(13)19(11-15)30(24,25)26/h1-12H,(H,24,25,26)(H,27,28,29)/b22-21-
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n/an/a 7.80E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human AICAR Tfase


J Med Chem 47: 6681-90 (2004)

More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50158387
PNG
(4-[(3-carboxy-4-hydroxy-1-naphthyl)(oxo)acetyl]-1-...)
Show SMILES OC(=O)c1cc(C(=O)C(=O)c2cc(C(O)=O)c(O)c3ccccc23)c2ccccc2c1O
Show InChI InChI=1S/C24H14O8/c25-19-13-7-3-1-5-11(13)15(9-17(19)23(29)30)21(27)22(28)16-10-18(24(31)32)20(26)14-8-4-2-6-12(14)16/h1-10,25-26H,(H,29,30)(H,31,32)
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n/an/a 8.80E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human AICAR Tfase


J Med Chem 47: 6681-90 (2004)

More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50158382
PNG
(CHEMBL376528 | N'-((8S,9S,10R,13R,14S,17R)-10,13-d...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3CC[C@]12C)=NNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C34H52N2O2S/c1-23(2)8-7-9-25(4)30-16-17-31-29-15-12-26-22-27(18-20-33(26,5)32(29)19-21-34(30,31)6)35-36-39(37,38)28-13-10-24(3)11-14-28/h10-11,13-14,22-23,25,29-32,36H,7-9,12,15-21H2,1-6H3/t25-,29+,30-,31+,32+,33+,34-/m1/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human AICAR Tfase


J Med Chem 47: 6681-90 (2004)

More data for this
Ligand-Target Pair
AICAR Tfase


(Homo sapiens (Human))
BDBM22578
PNG
(2-[(E)-2-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfoph...)
Show SMILES Cc1[nH]n(-c2ccc(cc2C)S(O)(=O)=O)c(=O)c1N=Nc1cc(ccc1C(O)=O)S(O)(=O)=O
Show InChI InChI=1S/C18H16N4O9S2/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25/h3-8,21H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31)
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7.10E+3 -6.95 1.16E+4n/an/an/an/a7.522



The Scripps Research Institute



Assay Description
The human ATIC enzyme was used for the inhibition assay. The assay buffer was flushed with nitrogen to minimize oxidization of cofactor 10-f-THF. The...


J Biol Chem 279: 50555-65 (2004)

More data for this
Ligand-Target Pair
AICAR Tfase


(Homo sapiens (Human))
BDBM22582
PNG
(324572-F | 4-{3-methyl-4-[(E)-2-[3-methyl-4-(pheny...)
Show SMILES Cc1[nH]n(-c2ccc(cc2)S(O)(=O)=O)c(=O)c1N=Nc1ccc(c(C)c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C23H21N5O6S2/c1-15-14-18(8-13-21(15)35(30,31)27-17-6-4-3-5-7-17)24-25-22-16(2)26-28(23(22)29)19-9-11-20(12-10-19)36(32,33)34/h3-14,26-27H,1-2H3,(H,32,33,34)
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n/an/a 1.16E+4n/an/an/an/a7.522



The Scripps Research Institute



Assay Description
The human ATIC enzyme was used for the inhibition assay. The assay buffer was flushed with nitrogen to minimize oxidization of cofactor 10-f-THF. The...


J Biol Chem 279: 50555-65 (2004)

More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50158386
PNG
(5-hydroxy-8-[4-(4-sulfo-phenylazo)-phenylazo]-naph...)
Show SMILES Oc1ccc(N=Nc2ccc(cc2)N=Nc2ccc(cc2)S(O)(=O)=O)c2c(cccc12)S(O)(=O)=O
Show InChI InChI=1S/C22H16N4O7S2/c27-20-13-12-19(22-18(20)2-1-3-21(22)35(31,32)33)26-25-15-6-4-14(5-7-15)23-24-16-8-10-17(11-9-16)34(28,29)30/h1-13,27H,(H,28,29,30)(H,31,32,33)
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n/an/a 1.16E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human AICAR Tfase


J Med Chem 47: 6681-90 (2004)

More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM22582
PNG
(324572-F | 4-{3-methyl-4-[(E)-2-[3-methyl-4-(pheny...)
Show SMILES Cc1[nH]n(-c2ccc(cc2)S(O)(=O)=O)c(=O)c1N=Nc1ccc(c(C)c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C23H21N5O6S2/c1-15-14-18(8-13-21(15)35(30,31)27-17-6-4-3-5-7-17)24-25-22-16(2)26-28(23(22)29)19-9-11-20(12-10-19)36(32,33)34/h3-14,26-27H,1-2H3,(H,32,33,34)
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n/an/a 1.16E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human AICAR Tfase


J Med Chem 47: 6681-90 (2004)

More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50158383
PNG
(2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C27H33BrO5S/c1-26-13-11-19(29)15-17(26)3-8-21-22-9-10-24(27(22,2)14-12-23(21)26)25(30)16-33-34(31,32)20-6-4-18(28)5-7-20/h4-7,15,21-24H,3,8-14,16H2,1-2H3/t21-,22-,23-,24+,26-,27-/m0/s1
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n/an/a 1.39E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human AICAR Tfase


J Med Chem 47: 6681-90 (2004)

More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50158385
PNG
(2-(4-aminobenzamido)-5-(6-methylbenzo[d]thiazol-2-...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)c2ccc(N)cc2)c(c1)S(O)(=O)=O
Show InChI InChI=1S/C21H17N3O4S2/c1-12-2-8-16-18(10-12)29-21(24-16)14-5-9-17(19(11-14)30(26,27)28)23-20(25)13-3-6-15(22)7-4-13/h2-11H,22H2,1H3,(H,23,25)(H,26,27,28)
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n/an/a 1.69E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human AICAR Tfase


J Med Chem 47: 6681-90 (2004)

More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50003058
PNG
(2-[4-(7-Amino-9-oxo-8,9-dihydro-2,5,6,8-tetraaza-c...)
Show SMILES Nc1nc(O)c2c3cn(cc3cnc2n1)-c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H18N6O6/c22-21-25-17-16(19(31)26-21)13-9-27(8-11(13)7-23-17)12-3-1-10(2-4-12)18(30)24-14(20(32)33)5-6-15(28)29/h1-4,7-9,14H,5-6H2,(H,24,30)(H,28,29)(H,32,33)(H3,22,25,26,31)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Aminoimidazole carboxamide ribonucleotide formyl transferase (AICAR) with (6R) tetrahydrofolate as subst...


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50022387
PNG
(2-{4-[(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido...)
Show SMILES Nc1nc2CCC(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1
Show InChI InChI=1S/C20H24N6O6/c21-20-25-13-6-5-12(23-16(13)18(30)26-20)9-22-11-3-1-10(2-4-11)17(29)24-14(19(31)32)7-8-15(27)28/h1-4,12,14,22-23H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,25,26,30)
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n/an/a>2.00E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibitory activity against AICAR formyltransferase of Lactobacillus casei


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50022386
PNG
(2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyri...)
Show SMILES Nc1nc2CCC(CCNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1
Show InChI InChI=1S/C21H26N6O6/c22-21-26-14-6-5-13(24-17(14)19(31)27-21)9-10-23-12-3-1-11(2-4-12)18(30)25-15(20(32)33)7-8-16(28)29/h1-4,13,15,23-24H,5-10H2,(H,25,30)(H,28,29)(H,32,33)(H3,22,26,27,31)
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n/an/a 2.00E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibitory activity against AICAR formyltransferase of Lactobacillus casei


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50022741
PNG
((5RS, 6RS) 2-{4-[2-(2-Amino-5-methyl-4-oxo-3,4,5,6...)
Show SMILES CC1C(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C22H27N5O6/c1-11-14(10-24-18-17(11)20(31)27-22(23)26-18)7-4-12-2-5-13(6-3-12)19(30)25-15(21(32)33)8-9-16(28)29/h2-3,5-6,11,14-15H,4,7-10H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of AICAR formyltransferase


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibitory activity against AICAR formyltransferase of Lactobacillus casei


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50022739
PNG
((6RS) 2-{4-[2-(2-Amino-5-ethyl-4-oxo-3,4,5,6,7,8-h...)
Show SMILES CCC1C(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C23H29N5O6/c1-2-15-14(11-25-19-18(15)21(32)28-23(24)27-19)8-5-12-3-6-13(7-4-12)20(31)26-16(22(33)34)9-10-17(29)30/h3-4,6-7,14-16H,2,5,8-11H2,1H3,(H,26,31)(H,29,30)(H,33,34)(H4,24,25,27,28,32)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of AICAR formyltransferase


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM22583
PNG
(2,5-dichloro-4-{3-methyl-5-oxo-4-[(E)-2-(4-sulfoph...)
Show SMILES Cc1[nH]n(-c2cc(Cl)c(cc2Cl)S(O)(=O)=O)c(=O)c1N=Nc1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C16H12Cl2N4O7S2/c1-8-15(20-19-9-2-4-10(5-3-9)30(24,25)26)16(23)22(21-8)13-6-12(18)14(7-11(13)17)31(27,28)29/h2-7,21H,1H3,(H,24,25,26)(H,27,28,29)
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n/an/a 2.01E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human AICAR Tfase


J Med Chem 47: 6681-90 (2004)

More data for this
Ligand-Target Pair
AICAR Tfase


(Homo sapiens (Human))
BDBM22583
PNG
(2,5-dichloro-4-{3-methyl-5-oxo-4-[(E)-2-(4-sulfoph...)
Show SMILES Cc1[nH]n(-c2cc(Cl)c(cc2Cl)S(O)(=O)=O)c(=O)c1N=Nc1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C16H12Cl2N4O7S2/c1-8-15(20-19-9-2-4-10(5-3-9)30(24,25)26)16(23)22(21-8)13-6-12(18)14(7-11(13)17)31(27,28)29/h2-7,21H,1H3,(H,24,25,26)(H,27,28,29)
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n/an/a 2.01E+4n/an/an/an/a7.522



The Scripps Research Institute



Assay Description
The human ATIC enzyme was used for the inhibition assay. The assay buffer was flushed with nitrogen to minimize oxidization of cofactor 10-f-THF. The...


J Biol Chem 279: 50555-65 (2004)

More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM22579
PNG
(AICAR | Aminoimidazole-4-carboxamide ribonucleotid...)
Show SMILES NC(=O)c1ncn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c1N
Show InChI InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibitory activity against AICAR formyltransferase


J Med Chem 42: 3421-4 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
AICAR transformylase


(Homo sapiens (Human))
BDBM50041179
PNG
(2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...)
Show SMILES Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)coc2n1
Show InChI InChI=1S/C19H20N6O6/c20-15-14-10(8-31-17(14)25-19(21)24-15)7-22-11-3-1-9(2-4-11)16(28)23-12(18(29)30)5-6-13(26)27/h1-4,8,12,22H,5-7H2,(H,23,28)(H,26,27)(H,29,30)(H4,20,21,24,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against L. casei AICAR formyltransferase


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50041176
PNG
(2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...)
Show SMILES CN(Cc1coc2nc(N)nc(N)c12)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against L. casei AICAR formyltransferase


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50158390
PNG
(4-methyl-N-(7-nitrobenzo[d]thiazol-5-yl)benzenesul...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc([N+]([O-])=O)c2scnc2c1
Show InChI InChI=1S/C14H11N3O4S2/c1-9-2-4-11(5-3-9)23(20,21)16-10-6-12-14(22-8-15-12)13(7-10)17(18)19/h2-8,16H,1H3
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n/an/a 3.61E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human AICAR Tfase


J Med Chem 47: 6681-90 (2004)

More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50003059
PNG
(2-[4-(7-Amino-9-oxo-1,3,3a,4,5,8,9,9b-octahydro-2,...)
Show SMILES Nc1nc2NCC3CN(CC3c2c(=O)[nH]1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H24N6O6/c22-21-25-17-16(19(31)26-21)13-9-27(8-11(13)7-23-17)12-3-1-10(2-4-12)18(30)24-14(20(32)33)5-6-15(28)29/h1-4,11,13-14H,5-9H2,(H,24,30)(H,28,29)(H,32,33)(H4,22,23,25,26,31)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Aminoimidazole carboxamide ribonucleotide formyl transferase (AICAR) with (6R) tetrahydrofolate as subst...


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50022385
PNG
(2-{4-[2-(2-Amino-4-hydroxy-pyrido[3,2-d]pyrimidin-...)
Show SMILES Nc1nc2ccc(CCNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2c(=O)[nH]1
Show InChI InChI=1S/C21H22N6O6/c22-21-26-14-6-5-13(24-17(14)19(31)27-21)9-10-23-12-3-1-11(2-4-12)18(30)25-15(20(32)33)7-8-16(28)29/h1-6,15,23H,7-10H2,(H,25,30)(H,28,29)(H,32,33)(H3,22,26,27,31)
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n/an/a>4.00E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibitory activity against AICAR formyltransferase of Lactobacillus casei


Citation and Details
More data for this
Ligand-Target Pair
AICAR Tfase


(Homo sapiens (Human))
BDBM22581
PNG
(324571-C | 4-chloro-2-[(E)-2-[5-hydroxy-3-methyl-1...)
Show SMILES Cc1[nH]n(-c2ccc(cc2)S(O)(=O)=O)c(=O)c1N=Nc1cc(Cl)cc(c1C(O)=O)S(O)(=O)=O
Show InChI InChI=1S/C17H13ClN4O9S2/c1-8-15(16(23)22(21-8)10-2-4-11(5-3-10)32(26,27)28)20-19-12-6-9(18)7-13(33(29,30)31)14(12)17(24)25/h2-7,21H,1H3,(H,24,25)(H,26,27,28)(H,29,30,31)
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n/an/a 4.16E+4n/an/an/an/a7.522



The Scripps Research Institute



Assay Description
The human ATIC enzyme was used for the inhibition assay. The assay buffer was flushed with nitrogen to minimize oxidization of cofactor 10-f-THF. The...


J Biol Chem 279: 50555-65 (2004)

More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50406471
PNG
(CHEMBL157775)
Show SMILES Nc1nc2ncc(cc2c(=O)[nH]1)N(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)C=O
Show InChI InChI=1S/C21H20N6O7/c22-21-25-17-14(19(32)26-21)7-13(8-23-17)27(10-28)9-11-1-3-12(4-2-11)18(31)24-15(20(33)34)5-6-16(29)30/h1-4,7-8,10,15H,5-6,9H2,(H,24,31)(H,29,30)(H,33,34)(H3,22,23,25,26,32)
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n/an/a 4.99E+4n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of 5-aminoimidazole-4-carboxamide AICAR formyltransferase in MOLT-4 cells


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Mus musculus)
BDBM50014707
PNG
(2-{4-[2-(2,4-Diamino-pteridin-6-yl)-propyl]-benzoy...)
Show SMILES CC(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1cnc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C21H23N7O5/c1-10(14-9-24-18-16(25-14)17(22)27-21(23)28-18)8-11-2-4-12(5-3-11)19(31)26-13(20(32)33)6-7-15(29)30/h2-5,9-10,13H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,24,27,28)
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n/an/a>5.00E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting AICAR formyltransferase enzyme of L. casei


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Mus musculus)
BDBM50014706
PNG
(2-{4-[2-(2,4-Diamino-pteridin-6-yl)-butyl]-benzoyl...)
Show SMILES CCC(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1cnc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C22H25N7O5/c1-2-12(15-10-25-19-17(26-15)18(23)28-22(24)29-19)9-11-3-5-13(6-4-11)20(32)27-14(21(33)34)7-8-16(30)31/h3-6,10,12,14H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting AICAR formyltransferase enzyme of L. casei


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50080320
PNG
((2R)-2-{[4-(N-{[(6R)-2-amino-4-oxo-1,4,4a,5,6,7,8,...)
Show SMILES NC1=NC(O)C2N[C@@H](CN(C=O)c3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)CNC2=N1
Show InChI InChI=1S/C20H25N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,11,13,15,18,23,32H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H3,21,22,25,26)/t11-,13-,15?,18?/m1/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibitory activity against AICAR formyltransferase


J Med Chem 42: 3421-4 (1999)

More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50158379
PNG
(CHEMBL225266 | N-[4-(quinoxalin-2-ylsulfamoyl)-phe...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2n1
Show InChI InChI=1S/C16H14N4O3S/c1-11(21)18-12-6-8-13(9-7-12)24(22,23)20-16-10-17-14-4-2-3-5-15(14)19-16/h2-10H,1H3,(H,18,21)(H,19,20)
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n/an/a 5.47E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human AICAR Tfase


J Med Chem 47: 6681-90 (2004)

More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50012244
PNG
(2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylm...)
Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C25H24N4O6/c1-3-12-29(14-16-4-9-20-19(13-16)24(33)27-15(2)26-20)18-7-5-17(6-8-18)23(32)28-21(25(34)35)10-11-22(30)31/h1,4-9,13,21H,10-12,14H2,2H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)
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n/an/a>6.00E+4n/an/an/an/an/an/a



University of South Alabama

Curated by ChEMBL


Assay Description
Inhibition of AICAR formyltransferase from extract of Manca human lymphoma cells


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50012244
PNG
(2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylm...)
Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C25H24N4O6/c1-3-12-29(14-16-4-9-20-19(13-16)24(33)27-15(2)26-20)18-7-5-17(6-8-18)23(32)28-21(25(34)35)10-11-22(30)31/h1,4-9,13,21H,10-12,14H2,2H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)
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n/an/a>6.00E+4n/an/an/an/an/an/a



University of South Alabama

Curated by ChEMBL


Assay Description
Inhibition of AICAR formyltransferase from extract of Manca human lymphoma cells


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50406470
PNG
(CHEMBL157857)
Show SMILES Nc1nc2ncc(NCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C20H20N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,7,9,14,22H,5-6,8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,23,25,26,30)
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n/an/a 6.28E+4n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of 5-aminoimidazole-4-carboxamide AICAR formyltransferase in MOLT-4 cells


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Mus musculus)
BDBM50014844
PNG
(2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...)
Show SMILES CN(CCCc1c(N)nc(N)[nH]c1=O)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H26N6O6/c1-26(10-2-3-13-16(21)24-20(22)25-18(13)30)12-6-4-11(5-7-12)17(29)23-14(19(31)32)8-9-15(27)28/h4-7,14H,2-3,8-10H2,1H3,(H,23,29)(H,27,28)(H,31,32)(H5,21,22,24,25,30)
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n/an/a 6.80E+4n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition activity against AICAR formyltransferase from hog liver


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50005520
PNG
((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...)
Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1
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n/an/a 9.40E+4n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition activity against AICAR formyltransferase determined against MOLT-4


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50005520
PNG
((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...)
Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1
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n/an/a 9.40E+4n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition activity against AICAR formyltransferase determined against MOLT-4


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50005520
PNG
((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...)
Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1
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n/an/a 9.40E+4n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of 5-aminoimidazole-4-carboxamide AICAR formyltransferase in MOLT-4 cells


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50005520
PNG
((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...)
Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1
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n/an/a 9.40E+4n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against MOLT-4 T-cell leukemia cell AICAR transformylase


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50003057
PNG
(7-Amino-1,2,3-trimethyl-2,8-dihydro-2,5,6,8-tetraa...)
Show SMILES Cc1n(C)c(C)c2c1cnc1nc(N)[nH]c(=O)c21
Show InChI InChI=1S/C12H13N5O/c1-5-7-4-14-10-9(8(7)6(2)17(5)3)11(18)16-12(13)15-10/h4H,1-3H3,(H3,13,15,16,18)
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n/an/a>9.50E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Aminoimidazole carboxamide ribonucleotide formyl transferase (AICAR) with (6R) tetrahydrofolate as subst...


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50406472
PNG
(CHEMBL157230)
Show SMILES Nc1nc2NCC(Cc2c(=O)[nH]1)NCc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H24N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,12,14,22H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of 5-aminoimidazole-4-carboxamide AICAR formyltransferase in MOLT-4 cells


Citation and Details
More data for this
Ligand-Target Pair
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