Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'vichier-guerre' and Initial = 's'   

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
Inosine-5'-monophosphate dehydrogenase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM23223 (7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...) Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
France; Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secs				Eur J Med Chem 167: 124-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.064 BindingDB Entry DOI: 10.7270/Q2XK8K1C
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50458539 (CHICAGO SKY BLUE SODIUM | Chicago Sky Blue | Chica...) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#8]-c1cc(ccc1\[#7]=[#7]\c1ccc2c(cc(c(-[#7])c2c1-[#8])S([#8-])(=O)=O)S([#8-])(=O)=O)-c1ccc(\[#7]=[#7]\c2ccc3c(cc(c(-[#7])c3c2-[#8])S([#8-])(=O)=O)S([#8-])(=O)=O)c(-[#8]-[#6])c1 Show InChI InChI=1S/C34H28N6O16S4/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/p-4/b39-37+,40-38+	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
France; Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secs				Eur J Med Chem 167: 124-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.064 BindingDB Entry DOI: 10.7270/Q2XK8K1C
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50535238 (CHEMBL4573244) Show SMILES COc1ccccc1-c1noc(CCC(=O)Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C18H16ClN3O3/c1-24-15-5-3-2-4-14(15)18-21-17(25-22-18)11-10-16(23)20-13-8-6-12(19)7-9-13/h2-9H,10-11H2,1H3,(H,20,23)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
France; Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secs				Eur J Med Chem 167: 124-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.064 BindingDB Entry DOI: 10.7270/Q2XK8K1C
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50535244 (CHEMBL4524330) Show SMILES CC(=O)Nc1ccc(cc1)C1C2=C(Nc3c1c(=O)[nH]c(=O)n3Cc1ccccc1)c1ccccc1C2=O |c:12| Show InChI InChI=1S/C29H22N4O4/c1-16(34)30-19-13-11-18(12-14-19)22-23-25(20-9-5-6-10-21(20)26(23)35)31-27-24(22)28(36)32-29(37)33(27)15-17-7-3-2-4-8-17/h2-14,22,31H,15H2,1H3,(H,30,34)(H,32,36,37)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
France; Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secs				Eur J Med Chem 167: 124-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.064 BindingDB Entry DOI: 10.7270/Q2XK8K1C
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50535240 (CHEMBL4577084) Show SMILES O=C(CCS(=O)(=O)c1ccc2NC(=O)CSc2c1)NCCCc1ccccc1 Show InChI InChI=1S/C20H22N2O4S2/c23-19(21-11-4-7-15-5-2-1-3-6-15)10-12-28(25,26)16-8-9-17-18(13-16)27-14-20(24)22-17/h1-3,5-6,8-9,13H,4,7,10-12,14H2,(H,21,23)(H,22,24)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
France; Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secs				Eur J Med Chem 167: 124-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.064 BindingDB Entry DOI: 10.7270/Q2XK8K1C
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50535242 (CHEMBL4581243) Show SMILES NC1=C(C#N)C(c2ccc(s2)[N+]([O-])=O)c2c(O1)[nH]c(=O)[nH]c2=O |c:1| Show InChI InChI=1S/C12H7N5O5S/c13-3-4-7(5-1-2-6(23-5)17(20)21)8-10(18)15-12(19)16-11(8)22-9(4)14/h1-2,7H,14H2,(H2,15,16,18,19)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
France; Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secs				Eur J Med Chem 167: 124-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.064 BindingDB Entry DOI: 10.7270/Q2XK8K1C
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50535247 (CHEMBL4586403) Show SMILES NC1=C(C#N)C(c2ccc(Cl)cc2)c2c(O1)[nH]c(=O)[nH]c2=O |c:1| Show InChI InChI=1S/C14H9ClN4O3/c15-7-3-1-6(2-4-7)9-8(5-16)11(17)22-13-10(9)12(20)18-14(21)19-13/h1-4,9H,17H2,(H2,18,19,20,21)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
France; Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secs				Eur J Med Chem 167: 124-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.064 BindingDB Entry DOI: 10.7270/Q2XK8K1C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50535243 (CHEMBL4459529) Show SMILES NC1=C(C#N)C(c2ccc(cc2)[N+]([O-])=O)c2c(O1)[nH]c(=O)[nH]c2=O |c:1| Show InChI InChI=1S/C14H9N5O5/c15-5-8-9(6-1-3-7(4-2-6)19(22)23)10-12(20)17-14(21)18-13(10)24-11(8)16/h1-4,9H,16H2,(H2,17,18,20,21)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
France; Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secs				Eur J Med Chem 167: 124-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.064 BindingDB Entry DOI: 10.7270/Q2XK8K1C
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50535239 (CHEMBL4588651) Show SMILES OC(=O)c1cc(-c2cc(Br)ccc2F)c2c(n[nH]c2n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H10BrClFN3O2/c20-10-3-6-14(22)12(7-10)13-8-15(19(26)27)23-18-16(13)17(24-25-18)9-1-4-11(21)5-2-9/h1-8H,(H,26,27)(H,23,24,25)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
France; Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secs				Eur J Med Chem 167: 124-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.064 BindingDB Entry DOI: 10.7270/Q2XK8K1C
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50535249 (CHEMBL4515631) Show SMILES COc1ccc(cc1Br)-c1cc(nc2[nH]nc(-c3ccc(C)cc3)c12)C(O)=O Show InChI InChI=1S/C21H16BrN3O3/c1-11-3-5-12(6-4-11)19-18-14(13-7-8-17(28-2)15(22)9-13)10-16(21(26)27)23-20(18)25-24-19/h3-10H,1-2H3,(H,26,27)(H,23,24,25)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
France; Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secs				Eur J Med Chem 167: 124-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.064 BindingDB Entry DOI: 10.7270/Q2XK8K1C
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50535241 (CHEMBL4568025) Show SMILES COc1ccc(Br)cc1-c1cc(nc2[nH]nc(-c3ccc(C)cc3)c12)C(O)=O Show InChI InChI=1S/C21H16BrN3O3/c1-11-3-5-12(6-4-11)19-18-15(14-9-13(22)7-8-17(14)28-2)10-16(21(26)27)23-20(18)25-24-19/h3-10H,1-2H3,(H,26,27)(H,23,24,25)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
France; Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secs				Eur J Med Chem 167: 124-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.064 BindingDB Entry DOI: 10.7270/Q2XK8K1C
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50535237 (CHEMBL4575154) Show SMILES CC(=O)N1CCOc2cc(ccc12)S(=O)(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C16H14ClFN2O4S/c1-10(21)20-6-7-24-16-9-12(3-5-15(16)20)25(22,23)19-11-2-4-14(18)13(17)8-11/h2-5,8-9,19H,6-7H2,1H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
France; Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secs				Eur J Med Chem 167: 124-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.064 BindingDB Entry DOI: 10.7270/Q2XK8K1C
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50535245 (CHEMBL4442155) Show SMILES CCOc1ccc(cc1)-c1cc(nc2[nH]nc(-c3ccc(Cl)cc3)c12)C(O)=O Show InChI InChI=1S/C21H16ClN3O3/c1-2-28-15-9-5-12(6-10-15)16-11-17(21(26)27)23-20-18(16)19(24-25-20)13-3-7-14(22)8-4-13/h3-11H,2H2,1H3,(H,26,27)(H,23,24,25)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
France; Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secs				Eur J Med Chem 167: 124-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.064 BindingDB Entry DOI: 10.7270/Q2XK8K1C
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50535248 (CHEMBL4561888) Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(nc2[nH]nc(-c3ccc(Cl)cc3)c12)C(O)=O Show InChI InChI=1S/C21H15ClN4O3/c1-11(27)23-15-8-4-12(5-9-15)16-10-17(21(28)29)24-20-18(16)19(25-26-20)13-2-6-14(22)7-3-13/h2-10H,1H3,(H,23,27)(H,28,29)(H,24,25,26)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
France; Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secs				Eur J Med Chem 167: 124-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.064 BindingDB Entry DOI: 10.7270/Q2XK8K1C
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50535246 (CHEMBL4551062) Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(nc2[nH]nc(-c3ccc(C)cc3)c12)C(O)=O Show InChI InChI=1S/C22H18N4O3/c1-12-3-5-15(6-4-12)20-19-17(11-18(22(28)29)24-21(19)26-25-20)14-7-9-16(10-8-14)23-13(2)27/h3-11H,1-2H3,(H,23,27)(H,28,29)(H,24,25,26)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
France; Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secs				Eur J Med Chem 167: 124-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.064 BindingDB Entry DOI: 10.7270/Q2XK8K1C
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50158460 ((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...) Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
France; Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secs				Eur J Med Chem 167: 124-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.064 BindingDB Entry DOI: 10.7270/Q2XK8K1C
					More data for this Ligand-Target Pair