Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50046570   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Serine racemase (Homo sapiens (Human))	BDBM14673 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2015.07.081 BindingDB Entry DOI: 10.7270/Q2CV4KHX
					More data for this Ligand-Target Pair
Serine racemase (Homo sapiens (Human))	BDBM14673 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2015.07.081 BindingDB Entry DOI: 10.7270/Q2CV4KHX
					More data for this Ligand-Target Pair
Serine racemase (Homo sapiens (Human))	BDBM50119563 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2015.07.081 BindingDB Entry DOI: 10.7270/Q2CV4KHX
					More data for this Ligand-Target Pair
Serine racemase (Homo sapiens (Human))	BDBM50119565 (CHEMBL3617722) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(O)=O |r| Show InChI InChI=1S/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-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2015.07.081 BindingDB Entry DOI: 10.7270/Q2CV4KHX
					More data for this Ligand-Target Pair
Serine racemase (Homo sapiens (Human))	BDBM50119562 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2015.07.081 BindingDB Entry DOI: 10.7270/Q2CV4KHX
					More data for this Ligand-Target Pair
Serine racemase (Homo sapiens (Human))	BDBM50119564 (CHEMBL3617723) Show SMILES [#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\[#7]-[#6](-[#6]-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6]-1=O Show InChI InChI=1S/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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.70E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2015.07.081 BindingDB Entry DOI: 10.7270/Q2CV4KHX
					More data for this Ligand-Target Pair
Serine racemase (Homo sapiens (Human))	BDBM50119560 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2015.07.081 BindingDB Entry DOI: 10.7270/Q2CV4KHX
					More data for this Ligand-Target Pair
Serine racemase (Homo sapiens (Human))	BDBM50119561 (CHEMBL3617725) Show SMILES OC(=O)CC1(CN2CCC1CC2)C(O)=O |THB:3:4:8.7:10.11,12:4:8.7:10.11,(0,2.93,;-1.3,2.21,;-2.57,2.97,;-1.32,.35,;.3,-.59,;2.12,-3.48,;-1.06,-4.26,;.27,-3.48,;.27,-1.94,;-1.06,-1.19,;-2.37,-1.94,;-2.37,-3.48,;1.9,.37,;3.19,-.37,;1.89,1.85,)| Show InChI InChI=1S/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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2015.07.081 BindingDB Entry DOI: 10.7270/Q2CV4KHX
					More data for this Ligand-Target Pair