Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'gouin' and Initial = 'sg'   

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
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50508715 (CHEMBL4447141) Show SMILES CN1CCCC1c1cncc(c1)-c1cn(CCOCCOCCOCCn2cc(nn2)-c2cncc(c2)C2CCCN2C)nn1 Show InChI InChI=1S/C32H44N10O3/c1-39-7-3-5-31(39)27-17-25(19-33-21-27)29-23-41(37-35-29)9-11-43-13-15-45-16-14-44-12-10-42-24-30(36-38-42)26-18-28(22-34-20-26)32-6-4-8-40(32)2/h17-24,31-32H,3-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced inward current at -60 mV holding ...				Bioorg Med Chem 27: 700-707 (2019) Article DOI: 10.1016/j.bmc.2019.01.013 BindingDB Entry DOI: 10.7270/Q2280BX7
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50508717 (CHEMBL4459926) Show SMILES CN1CCCC1c1cncc(c1)-c1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn2cc(nn2)-c2cncc(c2)C2CCCN2C)nn1 Show InChI InChI=1S/C80H140N10O27/c1-87-7-3-5-79(87)75-65-73(67-81-69-75)77-71-89(85-83-77)9-11-91-13-15-93-17-19-95-21-23-97-25-27-99-29-31-101-33-35-103-37-39-105-41-43-107-45-47-109-49-51-111-53-55-113-57-59-115-61-63-117-64-62-116-60-58-114-56-54-112-52-50-110-48-46-108-44-42-106-40-38-104-36-34-102-32-30-100-28-26-98-24-22-96-20-18-94-16-14-92-12-10-90-72-78(84-86-90)74-66-76(70-82-68-74)80-6-4-8-88(80)2/h65-72,79-80H,3-64H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced inward current at -60 mV holding ...				Bioorg Med Chem 27: 700-707 (2019) Article DOI: 10.1016/j.bmc.2019.01.013 BindingDB Entry DOI: 10.7270/Q2280BX7
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50508718 (CHEMBL4468328) Show SMILES [H][C@@]12O[C@H](CO)[C@@]([H])(O[C@H]3O[C@H](CO)[C@@]([H])(O[C@H]4O[C@H](CO)[C@@]([H])(O[C@H]5O[C@H](CO)[C@@]([H])(O[C@H]6O[C@H](Cn7cc(nn7)-c7cncc(c7)C7CCCN7C)[C@@H](O[C@@]7([H])O[C@H](CO)[C@@]([H])(O[C@H]8O[C@H](CO)[C@@H](O1)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O |r| Show InChI InChI=1S/C54H83N5O34/c1-58-4-2-3-19(58)17-5-16(6-55-7-17)18-8-59(57-56-18)9-20-41-27(66)34(73)48(80-20)88-42-21(10-60)82-50(36(75)29(42)68)90-44-23(12-62)84-52(38(77)31(44)70)92-46-25(14-64)86-54(40(79)33(46)72)93-47-26(15-65)85-53(39(78)32(47)71)91-45-24(13-63)83-51(37(76)30(45)69)89-43-22(11-61)81-49(87-41)35(74)28(43)67/h5-8,19-54,60-79H,2-4,9-15H2,1H3/t19?,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced inward current at -60 mV holding ...				Bioorg Med Chem 27: 700-707 (2019) Article DOI: 10.1016/j.bmc.2019.01.013 BindingDB Entry DOI: 10.7270/Q2280BX7
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50508716 (CHEMBL4442551) Show SMILES CN1CCCC1c1cncc(c1)-c1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn2cc(nn2)-c2cncc(c2)C2CCCN2C)nn1 Show InChI InChI=1S/C64H108N10O19/c1-71-7-3-5-63(71)59-49-57(51-65-53-59)61-55-73(69-67-61)9-11-75-13-15-77-17-19-79-21-23-81-25-27-83-29-31-85-33-35-87-37-39-89-41-43-91-45-47-93-48-46-92-44-42-90-40-38-88-36-34-86-32-30-84-28-26-82-24-22-80-20-18-78-16-14-76-12-10-74-56-62(68-70-74)58-50-60(54-66-52-58)64-6-4-8-72(64)2/h49-56,63-64H,3-48H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced inward current at -60 mV holding ...				Bioorg Med Chem 27: 700-707 (2019) Article DOI: 10.1016/j.bmc.2019.01.013 BindingDB Entry DOI: 10.7270/Q2280BX7
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50508714 (CHEMBL4450172) Show SMILES CN1CCCC1c1cncc(c1)-c1cn(CCOCCOCCOCCO)nn1 Show InChI InChI=1S/C20H31N5O4/c1-24-4-2-3-20(24)18-13-17(14-21-15-18)19-16-25(23-22-19)5-7-27-9-11-29-12-10-28-8-6-26/h13-16,20,26H,2-12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.95E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced inward current at -60 mV holding ...				Bioorg Med Chem 27: 700-707 (2019) Article DOI: 10.1016/j.bmc.2019.01.013 BindingDB Entry DOI: 10.7270/Q2280BX7
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50508720 (CHEMBL4434787) Show SMILES [H][C@@]12O[C@H](Cn3cc(nn3)-c3cncc(c3)C3CCCN3C)[C@@]([H])(O[C@H]3O[C@H](Cn4cc(nn4)-c4cncc(c4)C4CCCN4C)[C@@H](O[C@@]4([H])O[C@H](Cn5cc(nn5)-c5cncc(c5)C5CCCN5C)[C@@]([H])(O[C@H]5O[C@H](Cn6cc(nn6)-c6cncc(c6)C6CCCN6C)[C@@]([H])(O[C@H]6O[C@H](Cn7cc(nn7)-c7cncc(c7)C7CCCN7C)[C@@]([H])(O[C@H]7O[C@H](Cn8cc(nn8)-c8cncc(c8)C8CCCN8C)[C@@]([H])(O[C@H]8O[C@H](Cn9cc(nn9)-c9cncc(c9)C9CCCN9C)[C@@H](O1)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O |r| Show InChI InChI=1S/C126H161N35O28/c1-148-22-8-15-85(148)71-29-64(36-127-43-71)78-50-155(141-134-78)57-92-113-99(162)106(169)120(176-92)184-114-93(58-156-51-79(135-142-156)65-30-72(44-128-37-65)86-16-9-23-149(86)2)178-122(108(171)101(114)164)186-116-95(60-158-53-81(137-144-158)67-32-74(46-130-39-67)88-18-11-25-151(88)4)180-124(110(173)103(116)166)188-118-97(62-160-55-83(139-146-160)69-34-76(48-132-41-69)90-20-13-27-153(90)6)182-126(112(175)105(118)168)189-119-98(63-161-56-84(140-147-161)70-35-77(49-133-42-70)91-21-14-28-154(91)7)181-125(111(174)104(119)167)187-117-96(61-159-54-82(138-145-159)68-33-75(47-131-40-68)89-19-12-26-152(89)5)179-123(109(172)102(117)165)185-115-94(177-121(183-113)107(170)100(115)163)59-157-52-80(136-143-157)66-31-73(45-129-38-66)87-17-10-24-150(87)3/h29-56,85-126,162-175H,8-28,57-63H2,1-7H3/t85?,86?,87?,88?,89?,90?,91?,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.96E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced inward current at -60 mV holding ...				Bioorg Med Chem 27: 700-707 (2019) Article DOI: 10.1016/j.bmc.2019.01.013 BindingDB Entry DOI: 10.7270/Q2280BX7
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50508721 (CHEMBL4445351) Show SMILES CN1CCCC1c1cncc(c1)-c1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn2cc(nn2)-c2cncc(c2)C2CCCN2C)nn1 Show InChI InChI=1S/C48H76N10O11/c1-55-7-3-5-47(55)43-33-41(35-49-37-43)45-39-57(53-51-45)9-11-59-13-15-61-17-19-63-21-23-65-25-27-67-29-31-69-32-30-68-28-26-66-24-22-64-20-18-62-16-14-60-12-10-58-40-46(52-54-58)42-34-44(38-50-36-42)48-6-4-8-56(48)2/h33-40,47-48H,3-32H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced inward current at -60 mV holding ...				Bioorg Med Chem 27: 700-707 (2019) Article DOI: 10.1016/j.bmc.2019.01.013 BindingDB Entry DOI: 10.7270/Q2280BX7
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50508719 (CHEMBL4465678) Show SMILES CN1CCCC1c1cncc(c1)-c1cn(CCOCCOCCOCCOCCOCCOCCOCCn2cc(nn2)-c2cncc(c2)C2CCCN2C)nn1 Show InChI InChI=1S/C40H60N10O7/c1-47-7-3-5-39(47)35-25-33(27-41-29-35)37-31-49(45-43-37)9-11-51-13-15-53-17-19-55-21-23-57-24-22-56-20-18-54-16-14-52-12-10-50-32-38(44-46-50)34-26-36(30-42-28-34)40-6-4-8-48(40)2/h25-32,39-40H,3-24H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced inward current at -60 mV holding ...				Bioorg Med Chem 27: 700-707 (2019) Article DOI: 10.1016/j.bmc.2019.01.013 BindingDB Entry DOI: 10.7270/Q2280BX7
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50347460 (CHEMBL1170455) Show SMILES CCCCCCCOC1OC(CO)C(O)C(O)C1O Show InChI InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
LUNAM Universit£ Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli K-12 FimH assessed as dissociation constant by SPR analysis				J Med Chem 56: 5395-406 (2014) Article DOI: 10.1021/jm400723n BindingDB Entry DOI: 10.7270/Q2NS0WBP
					More data for this Ligand-Target Pair
FimH (Escherichia coli)	BDBM50347460 (CHEMBL1170455) Show SMILES CCCCCCCOC1OC(CO)C(O)C(O)C1O Show InChI InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a
LUNAM Universit£ Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli FimH assessed as dissociation constant by ITC analysis				J Med Chem 56: 5395-406 (2014) Article DOI: 10.1021/jm400723n BindingDB Entry DOI: 10.7270/Q2NS0WBP
					More data for this Ligand-Target Pair