Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'laughton' and Initial = 'd'   

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
CTP synthase 2 (Rattus norvegicus)	CHEMBL5267968 Show SMILES Show InChI	KEGG GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
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Myeloperoxidase (Homo sapiens (Human))	BDBM217354 (2-(3,5-bistrifluoromethylbenzylamino)-6-oxo-1H-pyr...) Show SMILES ONC(=O)c1cnc(NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[nH]c1=O Show InChI InChI=1S/C14H10F6N4O3/c15-13(16,17)7-1-6(2-8(3-7)14(18,19)20)4-21-12-22-5-9(10(25)23-12)11(26)24-27/h1-3,5,27H,4H2,(H,24,26)(H2,21,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	6.5	n/a
University of Otago Christchurch					Assay Description Assays were performed at 22 °C with 2 nM MPO and 10 μM hydrogen peroxide (H2O2) in 20 mM NaH2PO4 buffer, pH 6.5 containing 140 mM NaCl, 10 mM ta...				J Biol Chem 288: 36636-47 (2013) Article DOI: 10.1074/jbc.M113.507756 BindingDB Entry DOI: 10.7270/Q20K27DH
					More data for this Ligand-Target Pair				3D Structure (crystal)
CTP synthase 1 (Homo sapiens)	CHEMBL5267968 Show SMILES Show InChI	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
CTP synthase 2 (Homo sapiens)	CHEMBL5283284 Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
CTP synthase 1 (Mus musculus)	CHEMBL5267968 Show SMILES Show InChI	KEGG GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
CTP synthase 2 (Homo sapiens)	CHEMBL5267968 Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50413241 (CHEMBL513412) Show SMILES COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c2occc2C)c(OC)c1 |r| Show InChI InChI=1S/C25H27FN2O6/c1-15-11-12-34-23(15)25(31)28(20-10-9-17(32-3)13-21(20)33-4)22(24(30)27-14-16(2)29)18-7-5-6-8-19(18)26/h5-13,16,22,29H,14H2,1-4H3,(H,27,30)/t16-,22?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair
CTP synthase 2 (Rattus norvegicus)	CHEMBL5283284 Show SMILES Show InChI	KEGG GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM217355 (4-benzyl-2-hydroxybenzenecarbohydroxamic acid (HX2...) Show SMILES ONC(=O)c1ccc(Cc2ccccc2)cc1O Show InChI InChI=1S/C14H13NO3/c16-13-9-11(6-7-12(13)14(17)15-18)8-10-4-2-1-3-5-10/h1-7,9,16,18H,8H2,(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25.1	n/a	n/a	n/a	n/a	6.5	n/a
University of Otago Christchurch					Assay Description Assays were performed at 22 °C with 2 nM MPO and 10 μM hydrogen peroxide (H2O2) in 20 mM NaH2PO4 buffer, pH 6.5 containing 140 mM NaCl, 10 mM ta...				J Biol Chem 288: 36636-47 (2013) Article DOI: 10.1074/jbc.M113.507756 BindingDB Entry DOI: 10.7270/Q20K27DH
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50413240 (CHEMBL471412) Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C28H29FN2O4/c1-34-21-16-17-24(25(18-21)35-2)31(28(33)19-10-4-3-5-11-19)26(22-14-8-9-15-23(22)29)27(32)30-20-12-6-7-13-20/h3-5,8-11,14-18,20,26H,6-7,12-13H2,1-2H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair
CTP synthase 1 (Mus musculus)	CHEMBL5283284 Show SMILES Show InChI	KEGG GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
CTP synthase 2 (Mus musculus)	CHEMBL5267968 Show SMILES Show InChI	Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50413240 (CHEMBL471412) Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C28H29FN2O4/c1-34-21-16-17-24(25(18-21)35-2)31(28(33)19-10-4-3-5-11-19)26(22-14-8-9-15-23(22)29)27(32)30-20-12-6-7-13-20/h3-5,8-11,14-18,20,26H,6-7,12-13H2,1-2H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [Alexa647]C5a from human recombinant C5a receptor expressed in HEK cells by membrane binding assay in presence of [35S]GTPgammaS				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair
CTP synthase 1 (Homo sapiens)	CHEMBL5283284 Show SMILES Show InChI	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
CTP synthase 2 (Mus musculus)	CHEMBL5283284 Show SMILES Show InChI	Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
CTP synthase 2 (Rattus norvegicus)	CHEMBL5277468 Show SMILES Show InChI	KEGG GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50413239 (CHEMBL472268) Show SMILES COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c2ccoc2C)c(OC)c1 |r| Show InChI InChI=1S/C25H27FN2O6/c1-15(29)14-27-24(30)23(19-7-5-6-8-20(19)26)28(25(31)18-11-12-34-16(18)2)21-10-9-17(32-3)13-22(21)33-4/h5-13,15,23,29H,14H2,1-4H3,(H,27,30)/t15-,23?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50413240 (CHEMBL471412) Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C28H29FN2O4/c1-34-21-16-17-24(25(18-21)35-2)31(28(33)19-10-4-3-5-11-19)26(22-14-8-9-15-23(22)29)27(32)30-20-12-6-7-13-20/h3-5,8-11,14-18,20,26H,6-7,12-13H2,1-2H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [Alexa647]C5a from human recombinant C5a receptor expressed in HEK cells by whole cell binding assay				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair
Lactoperoxidase (Bos taurus (Bovine))	BDBM217355 (4-benzyl-2-hydroxybenzenecarbohydroxamic acid (HX2...) Show SMILES ONC(=O)c1ccc(Cc2ccccc2)cc1O Show InChI InChI=1S/C14H13NO3/c16-13-9-11(6-7-12(13)14(17)15-18)8-10-4-2-1-3-5-10/h1-7,9,16,18H,8H2,(H,15,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Otago Christchurch					Assay Description The halogenation activities of LPO (EC 1.11.1.7) and TPO (EC 1.11.1.8) were determined using a modified method of that described previously [Ferrari ...				J Biol Chem 288: 36636-47 (2013) Article DOI: 10.1074/jbc.M113.507756 BindingDB Entry DOI: 10.7270/Q20K27DH
					More data for this Ligand-Target Pair
CTP synthase 1 (Homo sapiens)	CHEMBL5277468 Show SMILES Show InChI	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
CTP synthase 1 (Mus musculus)	CHEMBL5277468 Show SMILES Show InChI	KEGG GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thyroid peroxidase (Homo sapiens (Human))	BDBM217355 (4-benzyl-2-hydroxybenzenecarbohydroxamic acid (HX2...) Show SMILES ONC(=O)c1ccc(Cc2ccccc2)cc1O Show InChI InChI=1S/C14H13NO3/c16-13-9-11(6-7-12(13)14(17)15-18)8-10-4-2-1-3-5-10/h1-7,9,16,18H,8H2,(H,15,17)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Otago Christchurch					Assay Description The halogenation activities of LPO (EC 1.11.1.7) and TPO (EC 1.11.1.8) were determined using a modified method of that described previously [Ferrari ...				J Biol Chem 288: 36636-47 (2013) Article DOI: 10.1074/jbc.M113.507756 BindingDB Entry DOI: 10.7270/Q20K27DH
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50413238 (CHEMBL511782) Show SMILES COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1 |r| Show InChI InChI=1S/C26H27FN2O5/c1-17(30)16-28-25(31)24(20-11-7-8-12-21(20)27)29(26(32)18-9-5-4-6-10-18)22-14-13-19(33-2)15-23(22)34-3/h4-15,17,24,30H,16H2,1-3H3,(H,28,31)/t17-,24?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50413247 (CHEMBL472455) Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccco2)c(OC)c1 Show InChI InChI=1S/C26H27FN2O5/c1-32-18-13-14-21(23(16-18)33-2)29(26(31)22-12-7-15-34-22)24(19-10-5-6-11-20(19)27)25(30)28-17-8-3-4-9-17/h5-7,10-17,24H,3-4,8-9H2,1-2H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79.4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [Alexa647]C5a from human recombinant C5a receptor expressed in HEK cells by whole cell binding assay				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50413252 (CHEMBL469727) Show SMILES COCc1ccoc1C(=O)N(C(C(=O)NC[C@@H](C)O)c1ccccc1F)c1ccc(OC)cc1OC |r| Show InChI InChI=1S/C26H29FN2O7/c1-16(30)14-28-25(31)23(19-7-5-6-8-20(19)27)29(21-10-9-18(34-3)13-22(21)35-4)26(32)24-17(15-33-2)11-12-36-24/h5-13,16,23,30H,14-15H2,1-4H3,(H,28,31)/t16-,23?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50413245 (CHEMBL469535) Show SMILES COc1ccc(N(C(C(=O)NC[C@H](C)O)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1 |r| Show InChI InChI=1S/C26H27FN2O5/c1-17(30)16-28-25(31)24(20-11-7-8-12-21(20)27)29(26(32)18-9-5-4-6-10-18)22-14-13-19(33-2)15-23(22)34-3/h4-15,17,24,30H,16H2,1-3H3,(H,28,31)/t17-,24?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair
CTP synthase 2 (Mus musculus)	CHEMBL5277468 Show SMILES Show InChI	Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50413247 (CHEMBL472455) Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccco2)c(OC)c1 Show InChI InChI=1S/C26H27FN2O5/c1-32-18-13-14-21(23(16-18)33-2)29(26(31)22-12-7-15-34-22)24(19-10-5-6-11-20(19)27)25(30)28-17-8-3-4-9-17/h5-7,10-17,24H,3-4,8-9H2,1-2H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair
CTP synthase 1 (Homo sapiens)	CHEMBL5288271 Show SMILES Show InChI	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50413251 (CHEMBL469728) Show SMILES COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c2occc2Cl)c(OC)c1 |r| Show InChI InChI=1S/C24H24ClFN2O6/c1-14(29)13-27-23(30)21(16-6-4-5-7-18(16)26)28(24(31)22-17(25)10-11-34-22)19-9-8-15(32-2)12-20(19)33-3/h4-12,14,21,29H,13H2,1-3H3,(H,27,30)/t14-,21?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair
CTP synthase 1 (Homo sapiens)	CHEMBL5275093 Show SMILES Show InChI	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
CTP synthase 2 (Rattus norvegicus)	CHEMBL5288393 Show SMILES Show InChI	KEGG GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
CTP synthase 2 (Homo sapiens)	CHEMBL5277468 Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	242	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
CTP synthase 1 (Homo sapiens)	CHEMBL5291055 Show SMILES Show InChI	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50413247 (CHEMBL472455) Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccco2)c(OC)c1 Show InChI InChI=1S/C26H27FN2O5/c1-32-18-13-14-21(23(16-18)33-2)29(26(31)22-12-7-15-34-22)24(19-10-5-6-11-20(19)27)25(30)28-17-8-3-4-9-17/h5-7,10-17,24H,3-4,8-9H2,1-2H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [Alexa647]C5a from human recombinant C5a receptor expressed in HEK cells by membrane binding assay in presence of [35S]GTPgammaS				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50413250 (CHEMBL513370) Show SMILES COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c2ccoc2Cl)c(OC)c1 |r| Show InChI InChI=1S/C24H24ClFN2O6/c1-14(29)13-27-23(30)21(16-6-4-5-7-18(16)26)28(24(31)17-10-11-34-22(17)25)19-9-8-15(32-2)12-20(19)33-3/h4-12,14,21,29H,13H2,1-3H3,(H,27,30)/t14-,21?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair
Lactoperoxidase (Bos taurus (Bovine))	BDBM50015089 (2,N-Dihydroxy-benzamide | CHEMBL309339 | N,2-dihyd...) Show SMILES ONC(=O)c1ccccc1O Show InChI InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Otago Christchurch					Assay Description The halogenation activities of LPO (EC 1.11.1.7) and TPO (EC 1.11.1.8) were determined using a modified method of that described previously [Ferrari ...				J Biol Chem 288: 36636-47 (2013) Article DOI: 10.1074/jbc.M113.507756 BindingDB Entry DOI: 10.7270/Q20K27DH
					More data for this Ligand-Target Pair				3D Structure (crystal)
CTP synthase 1 (Homo sapiens)	CHEMBL5270156 Show SMILES Show InChI	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
CTP synthase 1 (Homo sapiens)	CHEMBL5288933 Show SMILES Show InChI	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
CTP synthase 1 (Homo sapiens)	CHEMBL5288354 Show SMILES Show InChI	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
CTP synthase 1 (Mus musculus)	CHEMBL5288393 Show SMILES Show InChI	KEGG GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
CTP synthase 1 (Homo sapiens)	CHEMBL5287919 Show SMILES Show InChI	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
CTP synthase 1 (Homo sapiens)	CHEMBL5284514 Show SMILES Show InChI	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
CTP synthase 1 (Homo sapiens)	CHEMBL5288393 Show SMILES Show InChI	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
CTP synthase 2 (Homo sapiens)	CHEMBL5288393 Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM217356 (2-(benzylamino)-6-oxo-3H-pyrimidine-5-carbohydroxa...) Show SMILES ONC(=O)c1c[nH]c(NCc2ccccc2)nc1=O Show InChI InChI=1S/C12H12N4O3/c17-10-9(11(18)16-19)7-14-12(15-10)13-6-8-4-2-1-3-5-8/h1-5,7,19H,6H2,(H,16,18)(H2,13,14,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	6.5	n/a
University of Otago Christchurch					Assay Description Assays were performed at 22 °C with 2 nM MPO and 10 μM hydrogen peroxide (H2O2) in 20 mM NaH2PO4 buffer, pH 6.5 containing 140 mM NaCl, 10 mM ta...				J Biol Chem 288: 36636-47 (2013) Article DOI: 10.1074/jbc.M113.507756 BindingDB Entry DOI: 10.7270/Q20K27DH
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50413240 (CHEMBL471412) Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C28H29FN2O4/c1-34-21-16-17-24(25(18-21)35-2)31(28(33)19-10-4-3-5-11-19)26(22-14-8-9-15-23(22)29)27(32)30-20-12-6-7-13-20/h3-5,8-11,14-18,20,26H,6-7,12-13H2,1-2H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [Alexa647]C5a from human recombinant C5a receptor expressed in HEK cells by membrane binding assay				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50413249 (CHEMBL450470) Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(C)=O)c(OC)c1 Show InChI InChI=1S/C23H27FN2O4/c1-15(27)26(20-13-12-17(29-2)14-21(20)30-3)22(18-10-6-7-11-19(18)24)23(28)25-16-8-4-5-9-16/h6-7,10-14,16,22H,4-5,8-9H2,1-3H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair
CTP synthase 1 (Homo sapiens)	CHEMBL5278356 Show SMILES Show InChI	MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50413248 (CHEMBL513757) Show SMILES COc1ccc(N(C(C(=O)NC(C)CN(C)C)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C28H32FN3O4/c1-19(18-31(2)3)30-27(33)26(22-13-9-10-14-23(22)29)32(28(34)20-11-7-6-8-12-20)24-16-15-21(35-4)17-25(24)36-5/h6-17,19,26H,18H2,1-5H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization				Bioorg Med Chem Lett 19: 1143-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.104 BindingDB Entry DOI: 10.7270/Q2Q241G1
					More data for this Ligand-Target Pair

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