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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with Target = 'Serine racemase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Serine racemase


(Homo sapiens)
BDBM50055467
PNG
(CHEBI:17576 | CHEMBL3317781)
Show SMILES N[C@@H]([C@@H](O)C(O)=O)C(O)=O
Show InChI InChI=1/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/s2
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Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Binding affinity to serine recemase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
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PubMed
3.30E+4n/an/an/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Binding affinity to serine recemase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
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PubMed
5.90E+4n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant serine racemase expressed in Escherichia coli Rosetta 2 (DE3) cells using L-serine as substrate by horseradish peroxi...


Bioorg Med Chem Lett 25: 4297-303 (2015)

More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
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PubMed
6.60E+4n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged purified human recombinant serine racemase expressed in Escherichia coli BL21 Codonplus (DE3)-RIL cells assessed as red...


Bioorg Med Chem Lett 25: 4297-303 (2015)

More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50185232
PNG
((S)-2-((S)-3-(1H-imidazol-4-yl)-2-(3-phenylpropana...)
Show SMILES NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C25H29N5O3/c26-24(32)21(13-11-18-7-3-1-4-8-18)30-25(33)22(15-20-16-27-17-28-20)29-23(31)14-12-19-9-5-2-6-10-19/h1-10,16-17,21-22H,11-15H2,(H2,26,32)(H,27,28)(H,29,31)(H,30,33)/t21-,22-/m0/s1
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3.20E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human serine racemase


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM18133
PNG
(2-aminoacetic acid | CHEMBL773 | Glycine | [14C]Gl...)
Show SMILES NCC(O)=O
Show InChI InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
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3.66E+5n/an/an/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Binding affinity to serine recemase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50185231
PNG
((2S,3R)-2-((S)-3-(1H-imidazol-4-yl)-2-(3-phenylpro...)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(N)=O
Show InChI InChI=1S/C21H29N5O3/c1-3-14(2)19(20(22)28)26-21(29)17(11-16-12-23-13-24-16)25-18(27)10-9-15-7-5-4-6-8-15/h4-8,12-14,17,19H,3,9-11H2,1-2H3,(H2,22,28)(H,23,24)(H,25,27)(H,26,29)/t14?,17-,19-/m0/s1
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6.10E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human serine racemase


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50119563
PNG
(CHEBI:45969 | TRICARBALLYLIC ACID)
Show SMILES OC(=O)CC(CC(O)=O)C(O)=O
Show InChI InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
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1.30E+6n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged purified human recombinant serine racemase expressed in Escherichia coli BL21 Codonplus (DE3)-RIL cells assessed as red...


Bioorg Med Chem Lett 25: 4297-303 (2015)

More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50119565
PNG
(CHEMBL3617722)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1/C10H12N2O6S/c1-2-9(10(13)14)11-19(17,18)8-5-3-7(4-6-8)12(15)16/h3-6,9,11H,2H2,1H3,(H,13,14)/t9-/s2
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1.50E+6n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged purified human recombinant serine racemase expressed in Escherichia coli BL21 Codonplus (DE3)-RIL cells assessed as red...


Bioorg Med Chem Lett 25: 4297-303 (2015)

More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50119562
PNG
(CHEMBL3617724)
Show SMILES OC(=O)NCS(=O)(=O)c1cccs1
Show InChI InChI=1S/C6H7NO4S2/c8-6(9)7-4-13(10,11)5-2-1-3-12-5/h1-3,7H,4H2,(H,8,9)
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1.50E+6n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged purified human recombinant serine racemase expressed in Escherichia coli BL21 Codonplus (DE3)-RIL cells assessed as red...


Bioorg Med Chem Lett 25: 4297-303 (2015)

More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50119564
PNG
(CHEMBL3617723)
Show SMILES CN1C(=O)N(C)C(=O)C(=CNC(CC(O)=O)C(O)=O)C1=O
Show InChI InChI=1/C11H13N3O7/c1-13-8(17)5(9(18)14(2)11(13)21)4-12-6(10(19)20)3-7(15)16/h4,6,12H,3H2,1-2H3,(H,15,16)(H,19,20)
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1.70E+6n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged purified human recombinant serine racemase expressed in Escherichia coli BL21 Codonplus (DE3)-RIL cells assessed as red...


Bioorg Med Chem Lett 25: 4297-303 (2015)

More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50119560
PNG
(CHEMBL3617727)
Show SMILES OCCSc1cc(CC(=O)COCC(O)=O)cc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H15NO7S/c15-1-2-22-12-5-9(3-10(6-12)14(19)20)4-11(16)7-21-8-13(17)18/h3,5-6,15H,1-2,4,7-8H2,(H,17,18)
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4.50E+6n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged purified human recombinant serine racemase expressed in Escherichia coli BL21 Codonplus (DE3)-RIL cells assessed as red...


Bioorg Med Chem Lett 25: 4297-303 (2015)

More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50119561
PNG
(CHEMBL3617725)
Show SMILES OC(=O)CC1(CN2CCC1CC2)C(O)=O
Show InChI InChI=1/C10H15NO4/c12-8(13)5-10(9(14)15)6-11-3-1-7(10)2-4-11/h7H,1-6H2,(H,12,13)(H,14,15)
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>1.00E+7n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged purified human recombinant serine racemase expressed in Escherichia coli BL21 Codonplus (DE3)-RIL cells assessed as red...


Bioorg Med Chem Lett 25: 4297-303 (2015)

More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
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PubMed
n/an/a 2.49E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mi...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM31147
PNG
(4H-furo[3,2-b]pyrrole-5-carboxylic acid | 5-carbox...)
Show SMILES OC(=O)c1cc2occc2[nH]1
Show InChI InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mi...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50055465
PNG
(CHEMBL3317754)
Show SMILES Fc1ccc(OCC(=O)NCC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C16H14BrFN2O3/c17-11-1-5-13(6-2-11)20-15(21)9-19-16(22)10-23-14-7-3-12(18)4-8-14/h1-8H,9-10H2,(H,19,22)(H,20,21)
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n/an/a 5.20E+5n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant serine recemase C2DC6D mutant expressed in Escherichia coli BL21 (DE3) assessed as D-serine production af...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50055466
PNG
(CHEMBL3317759)
Show SMILES Fc1cccc(F)c1NC(=O)CNC(=O)COc1ccc(Br)cc1
Show InChI InChI=1S/C16H13BrF2N2O3/c17-10-4-6-11(7-5-10)24-9-15(23)20-8-14(22)21-16-12(18)2-1-3-13(16)19/h1-7H,8-9H2,(H,20,23)(H,21,22)
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n/an/a 6.30E+5n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant serine recemase C2DC6D mutant expressed in Escherichia coli BL21 (DE3) assessed as D-serine production af...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50055464
PNG
(CHEMBL3317747)
Show SMILES Fc1ccc(NC(=O)CNC(=O)COc2ccc(Cl)cc2)c(F)c1F
Show InChI InChI=1S/C16H12ClF3N2O3/c17-9-1-3-10(4-2-9)25-8-14(24)21-7-13(23)22-12-6-5-11(18)15(19)16(12)20/h1-6H,7-8H2,(H,21,24)(H,22,23)
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n/an/a 1.21E+6n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant serine recemase C2DC6D mutant expressed in Escherichia coli BL21 (DE3) assessed as D-serine production af...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
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n/an/a 1.31E+6n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant serine recemase C2DC6D mutant expressed in Escherichia coli BL21 (DE3) assessed as D-serine production af...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50427212
PNG
((2S,3R)-2,3-Dihydroxysuccinic Acid | CHEMBL225983 ...)
Show SMILES O[C@@H]([C@@H](O)C(O)=O)C(O)=O
Show InChI InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2+
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n/an/a 2.82E+6n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mi...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50427205
PNG
(CHEMBL2324854)
Show SMILES Cc1ccccc1-c1n[nH]c(=O)o1
Show InChI InChI=1S/C9H8N2O2/c1-6-4-2-3-5-7(6)8-10-11-9(12)13-8/h2-5H,1H3,(H,11,12)
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n/an/a>5.00E+6n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mi...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50427209
PNG
(CHEMBL1497209)
Show SMILES OC(=O)c1cc2CCCCc2s1
Show InChI InChI=1S/C9H10O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h5H,1-4H2,(H,10,11)
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n/an/a 5.02E+6n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mi...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50427211
PNG
(CHEMBL2324857)
Show SMILES CCCc1cc(sc1C)C(O)=O
Show InChI InChI=1S/C9H12O2S/c1-3-4-7-5-8(9(10)11)12-6(7)2/h5H,3-4H2,1-2H3,(H,10,11)
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n/an/a 5.16E+6n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mi...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50427206
PNG
(CHEMBL2324852)
Show SMILES OC(=O)c1cc2CCCc2s1
Show InChI InChI=1S/C8H8O2S/c9-8(10)7-4-5-2-1-3-6(5)11-7/h4H,1-3H2,(H,9,10)
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n/an/a 5.28E+6n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mi...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50427210
PNG
(CHEMBL2324858)
Show SMILES CCc1cc(sc1C)C(O)=O
Show InChI InChI=1S/C8H10O2S/c1-3-6-4-7(8(9)10)11-5(6)2/h4H,3H2,1-2H3,(H,9,10)
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n/an/a 5.72E+6n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mi...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50074328
PNG
(CHEMBL164585 | Thiophene-3-carboxylic acid)
Show SMILES OC(=O)c1ccsc1
Show InChI InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
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n/an/a 8.21E+6n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mi...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50146456
PNG
((2E)-3-(3-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1cccc(O)c1
Show InChI InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+
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n/an/a 8.39E+6n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mi...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50427204
PNG
(CHEMBL2324856)
Show SMILES CCCc1sc(cc1CC)C(O)=O
Show InChI InChI=1S/C10H14O2S/c1-3-5-8-7(4-2)6-9(13-8)10(11)12/h6H,3-5H2,1-2H3,(H,11,12)
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n/an/a>1.00E+7n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mi...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50427207
PNG
(CROTONIC ACID | Crotonate)
Show SMILES C\C=C\C(O)=O
Show InChI InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
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n/an/a>1.00E+7n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mi...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50206007
PNG
(3-Hydroxy-chromen-2-one | 3-hydroxy-2H-chromen-2-o...)
Show SMILES Oc1cc2ccccc2oc1=O
Show InChI InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H
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n/an/a>1.00E+7n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mi...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM50427208
PNG
(CHEMBL554820)
Show SMILES O=c1[nH]nc(o1)-c1ccccc1
Show InChI InChI=1S/C8H6N2O2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11)
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n/an/a>1.00E+7n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mi...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM36181
PNG
(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
Show SMILES [O-]C(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
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n/an/a>1.00E+7n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mi...


Citation and Details
More data for this
Ligand-Target Pair