Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'phillion' and Initial = 'dp'   

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
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281349 (CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...) Show SMILES OC(=O)CNCP(O)(O)=O Show InChI InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition against Escherichia coli 5-enolpyruvyl-shikimate-3-phosphate synthase versus phosphoenolpyruvate				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281349 (CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...) Show SMILES OC(=O)CNCP(O)(O)=O Show InChI InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	160	n/a	n/a	160	n/a	0.120	7.80E+5	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the dissociation constant against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281348 ((N-Phosphonomethyl-hydrazino)-acetic acid | CHEMBL...) Show SMILES NN(CC(O)=O)CP(O)(O)=O Show InChI InChI=1S/C3H9N2O5P/c4-5(1-3(6)7)2-11(8,9)10/h1-2,4H2,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	610	n/a	n/a	500	n/a	0.160	3.20E+5	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the dissociation constant against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281355 (CHEMBL96010 | [nitroso(phosphonomethyl)amino]aceti...) Show SMILES OC(=O)CN(CP(O)(O)=O)N=O Show InChI InChI=1S/C3H7N2O6P/c6-3(7)1-5(4-8)2-12(9,10)11/h1-2H2,(H,6,7)(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the dissociation constant against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281353 ((Hydroxy-phosphonomethyl-amino)-acetic acid | CHEM...) Show SMILES ON(CC(O)=O)CP(O)(O)=O Show InChI InChI=1S/C3H8NO6P/c5-3(6)1-4(7)2-11(8,9)10/h7H,1-2H2,(H,5,6)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the dissociation constant against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281354 ((Methyl-phosphonomethyl-amino)-acetic acid | CHEMB...) Show SMILES CN(CC(O)=O)CP(O)(O)=O Show InChI InChI=1S/C4H10NO5P/c1-5(2-4(6)7)3-11(8,9)10/h2-3H2,1H3,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	7.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the dissociation constant against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50318014 (2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(5-met...) Show SMILES Cc1cnc(nc1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1 Show InChI InChI=1S/C20H24ClN3O2/c1-14-11-22-18(23-12-14)15-6-7-17(21)16(10-15)19(25)24-13-20(26)8-4-2-3-5-9-20/h6-7,10-12,26H,2-5,8-9,13H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer St. Louis Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 20: 3107-11 (2010) Article DOI: 10.1016/j.bmcl.2010.03.094 BindingDB Entry DOI: 10.7270/Q2D50N4Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50318015 (2-chloro-5-(5-fluoropyrimidin-2-yl)-N-((1-hydroxyc...) Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCCCCC1 Show InChI InChI=1S/C19H21ClFN3O2/c20-16-6-5-13(17-22-10-14(21)11-23-17)9-15(16)18(25)24-12-19(26)7-3-1-2-4-8-19/h5-6,9-11,26H,1-4,7-8,12H2,(H,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer St. Louis Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 20: 3107-11 (2010) Article DOI: 10.1016/j.bmcl.2010.03.094 BindingDB Entry DOI: 10.7270/Q2D50N4Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50318018 (2-chloro-N-((2-fluoro-1-hydroxycycloheptyl)methyl)...) Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCCCCC1F Show InChI InChI=1S/C19H20ClF2N3O2/c20-15-6-5-12(17-23-9-13(21)10-24-17)8-14(15)18(26)25-11-19(27)7-3-1-2-4-16(19)22/h5-6,8-10,16,27H,1-4,7,11H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer St. Louis Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 20: 3107-11 (2010) Article DOI: 10.1016/j.bmcl.2010.03.094 BindingDB Entry DOI: 10.7270/Q2D50N4Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50318009 (2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(5-(hy...) Show SMILES OCc1ccc(nc1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1 Show InChI InChI=1S/C21H25ClN2O3/c22-18-7-6-16(19-8-5-15(13-25)12-23-19)11-17(18)20(26)24-14-21(27)9-3-1-2-4-10-21/h5-8,11-12,25,27H,1-4,9-10,13-14H2,(H,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer St. Louis Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 20: 3107-11 (2010) Article DOI: 10.1016/j.bmcl.2010.03.094 BindingDB Entry DOI: 10.7270/Q2D50N4Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50318012 (2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(6-met...) Show SMILES Cc1ccc(nn1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1 Show InChI InChI=1S/C20H24ClN3O2/c1-14-6-9-18(24-23-14)15-7-8-17(21)16(12-15)19(25)22-13-20(26)10-4-2-3-5-11-20/h6-9,12,26H,2-5,10-11,13H2,1H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer St. Louis Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 20: 3107-11 (2010) Article DOI: 10.1016/j.bmcl.2010.03.094 BindingDB Entry DOI: 10.7270/Q2D50N4Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50318013 (2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(5-met...) Show SMILES Cc1cnc(cn1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1 Show InChI InChI=1S/C20H24ClN3O2/c1-14-11-23-18(12-22-14)15-6-7-17(21)16(10-15)19(25)24-13-20(26)8-4-2-3-5-9-20/h6-7,10-12,26H,2-5,8-9,13H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer St. Louis Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 20: 3107-11 (2010) Article DOI: 10.1016/j.bmcl.2010.03.094 BindingDB Entry DOI: 10.7270/Q2D50N4Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50318021 (2-chloro-N-((4,4-difluoro-1-hydroxycyclohexyl)meth...) Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCC(F)(F)CC1 Show InChI InChI=1S/C18H17ClF3N3O2/c19-14-2-1-11(15-23-8-12(20)9-24-15)7-13(14)16(26)25-10-17(27)3-5-18(21,22)6-4-17/h1-2,7-9,27H,3-6,10H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer St. Louis Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 20: 3107-11 (2010) Article DOI: 10.1016/j.bmcl.2010.03.094 BindingDB Entry DOI: 10.7270/Q2D50N4Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50318010 (2-chloro-5-(5-fluoropyridin-2-yl)-N-((1-hydroxycyc...) Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ccc(F)cn2)CCCCCC1 Show InChI InChI=1S/C20H22ClFN2O2/c21-17-7-5-14(18-8-6-15(22)12-23-18)11-16(17)19(25)24-13-20(26)9-3-1-2-4-10-20/h5-8,11-12,26H,1-4,9-10,13H2,(H,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer St. Louis Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 20: 3107-11 (2010) Article DOI: 10.1016/j.bmcl.2010.03.094 BindingDB Entry DOI: 10.7270/Q2D50N4Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50318005 (2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(5-met...) Show SMILES Cc1ccc(nc1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1 Show InChI InChI=1S/C21H25ClN2O2/c1-15-6-9-19(23-13-15)16-7-8-18(22)17(12-16)20(25)24-14-21(26)10-4-2-3-5-11-21/h6-9,12-13,26H,2-5,10-11,14H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer St. Louis Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 20: 3107-11 (2010) Article DOI: 10.1016/j.bmcl.2010.03.094 BindingDB Entry DOI: 10.7270/Q2D50N4Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50318016 (2-chloro-5-(5-fluoropyrimidin-2-yl)-N-((1-hydroxyc...) Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCCCC1 Show InChI InChI=1S/C18H19ClFN3O2/c19-15-5-4-12(16-21-9-13(20)10-22-16)8-14(15)17(24)23-11-18(25)6-2-1-3-7-18/h4-5,8-10,25H,1-3,6-7,11H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer St. Louis Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 20: 3107-11 (2010) Article DOI: 10.1016/j.bmcl.2010.03.094 BindingDB Entry DOI: 10.7270/Q2D50N4Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50318004 (2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(pyrid...) Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ccccn2)CCCCCC1 Show InChI InChI=1S/C20H23ClN2O2/c21-17-9-8-15(18-7-3-6-12-22-18)13-16(17)19(24)23-14-20(25)10-4-1-2-5-11-20/h3,6-9,12-13,25H,1-2,4-5,10-11,14H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer St. Louis Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 20: 3107-11 (2010) Article DOI: 10.1016/j.bmcl.2010.03.094 BindingDB Entry DOI: 10.7270/Q2D50N4Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50318019 (2-chloro-N-((4,4-difluoro-1-hydroxycycloheptyl)met...) Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCCC(F)(F)CC1 Show InChI InChI=1S/C19H19ClF3N3O2/c20-15-3-2-12(16-24-9-13(21)10-25-16)8-14(15)17(27)26-11-18(28)4-1-5-19(22,23)7-6-18/h2-3,8-10,28H,1,4-7,11H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer St. Louis Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 20: 3107-11 (2010) Article DOI: 10.1016/j.bmcl.2010.03.094 BindingDB Entry DOI: 10.7270/Q2D50N4Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50318020 (2-chloro-N-((3,3-difluoro-1-hydroxycyclohexyl)meth...) Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCCC(F)(F)C1 Show InChI InChI=1S/C18H17ClF3N3O2/c19-14-3-2-11(15-23-7-12(20)8-24-15)6-13(14)16(26)25-10-17(27)4-1-5-18(21,22)9-17/h2-3,6-8,27H,1,4-5,9-10H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer St. Louis Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 20: 3107-11 (2010) Article DOI: 10.1016/j.bmcl.2010.03.094 BindingDB Entry DOI: 10.7270/Q2D50N4Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50318011 (2-chloro-5-(5-chloropyridin-2-yl)-N-((1-hydroxycyc...) Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ccc(Cl)cn2)CCCCCC1 Show InChI InChI=1S/C20H22Cl2N2O2/c21-15-6-8-18(23-12-15)14-5-7-17(22)16(11-14)19(25)24-13-20(26)9-3-1-2-4-10-20/h5-8,11-12,26H,1-4,9-10,13H2,(H,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer St. Louis Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 20: 3107-11 (2010) Article DOI: 10.1016/j.bmcl.2010.03.094 BindingDB Entry DOI: 10.7270/Q2D50N4Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50318007 (2-chloro-5-(5-cyanopyridin-2-yl)-N-((1-hydroxycycl...) Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ccc(cn2)C#N)CCCCCC1 Show InChI InChI=1S/C21H22ClN3O2/c22-18-7-6-16(19-8-5-15(12-23)13-24-19)11-17(18)20(26)25-14-21(27)9-3-1-2-4-10-21/h5-8,11,13,27H,1-4,9-10,14H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer St. Louis Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 20: 3107-11 (2010) Article DOI: 10.1016/j.bmcl.2010.03.094 BindingDB Entry DOI: 10.7270/Q2D50N4Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50318006 (2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(5-met...) Show SMILES COc1ccc(nc1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1 Show InChI InChI=1S/C21H25ClN2O3/c1-27-16-7-9-19(23-13-16)15-6-8-18(22)17(12-15)20(25)24-14-21(26)10-4-2-3-5-11-21/h6-9,12-13,26H,2-5,10-11,14H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer St. Louis Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 20: 3107-11 (2010) Article DOI: 10.1016/j.bmcl.2010.03.094 BindingDB Entry DOI: 10.7270/Q2D50N4Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50318008 (2-chloro-5-(6-cyanopyridin-2-yl)-N-((1-hydroxycycl...) Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2cccc(n2)C#N)CCCCCC1 Show InChI InChI=1S/C21H22ClN3O2/c22-18-9-8-15(19-7-5-6-16(13-23)25-19)12-17(18)20(26)24-14-21(27)10-3-1-2-4-11-21/h5-9,12,27H,1-4,10-11,14H2,(H,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	232	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer St. Louis Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 20: 3107-11 (2010) Article DOI: 10.1016/j.bmcl.2010.03.094 BindingDB Entry DOI: 10.7270/Q2D50N4Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50318017 (2-chloro-5-(5-fluoropyrimidin-2-yl)-N-((1-hydroxyc...) Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCCC1 Show InChI InChI=1S/C17H17ClFN3O2/c18-14-4-3-11(15-20-8-12(19)9-21-15)7-13(14)16(23)22-10-17(24)5-1-2-6-17/h3-4,7-9,24H,1-2,5-6,10H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	449	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer St. Louis Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 20: 3107-11 (2010) Article DOI: 10.1016/j.bmcl.2010.03.094 BindingDB Entry DOI: 10.7270/Q2D50N4Q
					More data for this Ligand-Target Pair
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281351 ((Phosphonomethyl-amino)-acetic acid methyl ester |...) Show SMILES COC(=O)CNCP(O)(O)=O Show InChI InChI=1S/C4H10NO5P/c1-10-4(6)2-5-3-11(7,8)9/h5H,2-3H2,1H3,(H2,7,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281349 (CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...) Show SMILES OC(=O)CNCP(O)(O)=O Show InChI InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition against Escherichia coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281350 ((1-Phosphono-ethylamino)-acetic acid | CHEMBL33043...) Show SMILES CC(NCC(O)=O)P(O)(O)=O Show InChI InChI=1S/C4H10NO5P/c1-3(11(8,9)10)5-2-4(6)7/h3,5H,2H2,1H3,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281356 (3-Amino-4-phosphono-butyric acid | CHEMBL98402) Show SMILES NC(CC(O)=O)CP(O)(O)=O Show InChI InChI=1S/C4H10NO5P/c5-3(1-4(6)7)2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281347 (2-(Phosphonomethyl-amino)-propionic acid | CHEMBL9...) Show SMILES CC(NCP(O)(O)=O)C(O)=O Show InChI InChI=1S/C4H10NO5P/c1-3(4(6)7)5-2-11(8,9)10/h3,5H,2H2,1H3,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281354 ((Methyl-phosphonomethyl-amino)-acetic acid | CHEMB...) Show SMILES CN(CC(O)=O)CP(O)(O)=O Show InChI InChI=1S/C4H10NO5P/c1-5(2-4(6)7)3-11(8,9)10/h2-3H2,1H3,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition against Escherichia coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281352 ((Hydroxyphosphinoylmethyl-amino)-acetic acid | CHE...) Show SMILES OP(O)C=NCC(O)=O |w:4.4| Show InChI InChI=1S/C3H6NO4P/c5-3(6)1-4-2-9(7)8/h2,7-8H,1H2,(H,5,6)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	7.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281349 (CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...) Show SMILES OC(=O)CNCP(O)(O)=O Show InChI InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the dissociation constant against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281348 ((N-Phosphonomethyl-hydrazino)-acetic acid | CHEMBL...) Show SMILES NN(CC(O)=O)CP(O)(O)=O Show InChI InChI=1S/C3H9N2O5P/c4-5(1-3(6)7)2-11(8,9)10/h1-2,4H2,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	n/a	0.160	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281348 ((N-Phosphonomethyl-hydrazino)-acetic acid | CHEMBL...) Show SMILES NN(CC(O)=O)CP(O)(O)=O Show InChI InChI=1S/C3H9N2O5P/c4-5(1-3(6)7)2-11(8,9)10/h1-2,4H2,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the dissociation constant against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281348 ((N-Phosphonomethyl-hydrazino)-acetic acid | CHEMBL...) Show SMILES NN(CC(O)=O)CP(O)(O)=O Show InChI InChI=1S/C3H9N2O5P/c4-5(1-3(6)7)2-11(8,9)10/h1-2,4H2,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	n/a	n/a	3.20E+5	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the rate of association against Escherichia coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281349 (CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...) Show SMILES OC(=O)CNCP(O)(O)=O Show InChI InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	n/a	n/a	n/a	n/a	7.79E+5	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair				3D Structure (crystal)