Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'rodrigues' and Initial = 'jc'   

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
Squalene synthase (Trypanosoma cruzi)	BDBM50052351 (3-Biphenyl-4-yl-1-aza-bicyclo[2.2.2]octan-3-ol | 3...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |(10.58,-8.89,;10.59,-10.42,;10.59,-11.97,;9.25,-12.74,;7.92,-11.97,;7.92,-10.42,;9.25,-9.65,;8.51,-11,;10,-11.41,;11.92,-9.66,;13.25,-10.43,;14.59,-9.66,;14.59,-8.12,;13.25,-7.35,;11.92,-8.12,;15.92,-7.35,;17.25,-8.12,;18.58,-7.36,;18.58,-5.81,;17.24,-5.04,;15.91,-5.82,)| Show InChI InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi squalene synthase				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50052351 (3-Biphenyl-4-yl-1-aza-bicyclo[2.2.2]octan-3-ol | 3...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |(10.58,-8.89,;10.59,-10.42,;10.59,-11.97,;9.25,-12.74,;7.92,-11.97,;7.92,-10.42,;9.25,-9.65,;8.51,-11,;10,-11.41,;11.92,-9.66,;13.25,-10.43,;14.59,-9.66,;14.59,-8.12,;13.25,-7.35,;11.92,-8.12,;15.92,-7.35,;17.25,-8.12,;18.58,-7.36,;18.58,-5.81,;17.24,-5.04,;15.91,-5.82,)| Show InChI InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50208574 ((R)-3-((2-benzyl-6-((3R,4S)-3-hydroxy-4-methoxypyr...) Show SMILES CO[C@H]1CN(C[C@H]1O)c1ccc(C#C[C@@]2(O)CN3CCC2CC3)c(Cc2ccccc2)n1 |r,wU:14.14,6.7,2.1,wD:14.15,(31.46,-29.1,;30.82,-27.7,;29.29,-27.55,;28.27,-28.7,;26.86,-28.09,;27.01,-26.56,;28.51,-26.22,;29.12,-24.81,;25.53,-28.87,;25.54,-30.41,;24.21,-31.19,;22.88,-30.42,;21.55,-31.2,;20.23,-31.98,;18.9,-32.75,;18.88,-31.21,;18.9,-34.3,;17.56,-35.07,;16.22,-34.3,;16.22,-32.75,;17.56,-31.97,;16.82,-33.33,;18.31,-33.74,;22.86,-28.9,;21.52,-28.14,;21.51,-26.6,;22.83,-25.83,;22.82,-24.29,;21.47,-23.53,;20.14,-24.32,;20.17,-25.86,;24.18,-28.11,)| Show InChI InChI=1S/C26H31N3O3/c1-32-24-17-29(16-23(24)30)25-8-7-20(22(27-25)15-19-5-3-2-4-6-19)9-12-26(31)18-28-13-10-21(26)11-14-28/h2-8,21,23-24,30-31H,10-11,13-18H2,1H3/t23-,24+,26-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Cycloartenol-C-24-methyltransferase (Arabidopsis thaliana)	BDBM50409741 (CHEMBL2069130) Show SMILES CC(O)([C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C1CCCCN1 Show InChI InChI=1S/C26H45NO2/c1-24-13-11-18(28)16-17(24)7-8-19-20-9-10-22(25(20,2)14-12-21(19)24)26(3,29)23-6-4-5-15-27-23/h17-23,27-29H,4-16H2,1-3H3/t17?,18-,19-,20-,21-,22-,23?,24-,25-,26?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)				J Med Chem 46: 4714-27 (2003) Article DOI: 10.1021/jm021114j BindingDB Entry DOI: 10.7270/Q2K073PR
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50208577 ((R)-3-((2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl)...) Show SMILES COCCCOc1ccc(C#C[C@@]2(O)CN3CCC2CC3)c(Cc2ccccc2)n1 |r,wU:12.11,wD:12.12,(8.54,-45.34,;7.2,-44.58,;5.87,-45.37,;4.53,-44.61,;3.21,-45.39,;1.87,-44.63,;.54,-45.41,;.55,-46.95,;-.78,-47.73,;-2.11,-46.96,;-3.44,-47.74,;-4.76,-48.52,;-6.09,-49.29,;-6.11,-47.75,;-6.09,-50.84,;-7.44,-51.61,;-8.77,-50.84,;-8.77,-49.29,;-7.44,-48.51,;-8.17,-49.87,;-6.68,-50.27,;-2.13,-45.43,;-3.47,-44.68,;-3.49,-43.14,;-2.16,-42.36,;-2.18,-40.83,;-3.52,-40.07,;-4.85,-40.86,;-4.83,-42.4,;-.81,-44.65,)| Show InChI InChI=1S/C25H30N2O3/c1-29-16-5-17-30-24-9-8-21(23(26-24)18-20-6-3-2-4-7-20)10-13-25(28)19-27-14-11-22(25)12-15-27/h2-4,6-9,22,28H,5,11-12,14-19H2,1H3/t25-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Cycloartenol-C-24-methyltransferase (Arabidopsis thaliana)	BDBM50134737 ((3S,10S,13S,17S)-17-(1-Hydroxy-1-piperidin-3-yl-et...) Show SMILES CC(O)([C@H]1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C1CCCNC1 Show InChI InChI=1S/C26H45NO2/c1-24-12-10-19(28)15-17(24)6-7-20-21-8-9-23(25(21,2)13-11-22(20)24)26(3,29)18-5-4-14-27-16-18/h17-23,27-29H,4-16H2,1-3H3/t17?,18?,19-,20?,21?,22?,23-,24-,25-,26?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)				J Med Chem 46: 4714-27 (2003) Article DOI: 10.1021/jm021114j BindingDB Entry DOI: 10.7270/Q2K073PR
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50270321 (3-[1'-{4'-(Benzyloxy)-phenyl}]-quinuclidine-2-ene ...) Show SMILES C(Oc1ccc(cc1)C1=CN2CCC1CC2)c1ccccc1 |t:9,(-1.9,-8.72,;-3.23,-7.95,;-4.56,-8.72,;-4.56,-10.26,;-5.9,-11.03,;-7.23,-10.25,;-7.23,-8.72,;-5.9,-7.95,;-8.56,-11.02,;-8.56,-12.57,;-9.9,-13.34,;-11.24,-12.57,;-11.24,-11.02,;-9.9,-10.24,;-10.64,-11.6,;-9.15,-12.01,;-.56,-7.95,;.76,-8.72,;2.1,-7.95,;2.1,-6.41,;.75,-5.64,;-.57,-6.42,)| Show InChI InChI=1S/C20H21NO/c1-2-4-16(5-3-1)15-22-19-8-6-17(7-9-19)20-14-21-12-10-18(20)11-13-21/h1-9,14,18H,10-13,15H2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50208573 (3-[1'-{4'-(Ethoxycarbonyl)-phenyl}]-quinuclidine-2...) Show SMILES CCOC(=O)c1ccc(cc1)C1=CN2CCC1CC2 |t:12,(1.58,3.04,;.25,3.81,;-1.08,3.04,;-2.42,3.81,;-2.42,5.35,;-3.75,3.04,;-3.75,1.5,;-5.08,.73,;-6.41,1.5,;-6.42,3.04,;-5.09,3.81,;-7.75,.74,;-7.75,-.81,;-9.09,-1.58,;-10.42,-.81,;-10.42,.74,;-9.09,1.51,;-9.82,.15,;-8.34,-.25,)| Show InChI InChI=1S/C16H19NO2/c1-2-19-16(18)14-5-3-12(4-6-14)15-11-17-9-7-13(15)8-10-17/h3-6,11,13H,2,7-10H2,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50270321 (3-[1'-{4'-(Benzyloxy)-phenyl}]-quinuclidine-2-ene ...) Show SMILES C(Oc1ccc(cc1)C1=CN2CCC1CC2)c1ccccc1 |t:9,(-1.9,-8.72,;-3.23,-7.95,;-4.56,-8.72,;-4.56,-10.26,;-5.9,-11.03,;-7.23,-10.25,;-7.23,-8.72,;-5.9,-7.95,;-8.56,-11.02,;-8.56,-12.57,;-9.9,-13.34,;-11.24,-12.57,;-11.24,-11.02,;-9.9,-10.24,;-10.64,-11.6,;-9.15,-12.01,;-.56,-7.95,;.76,-8.72,;2.1,-7.95,;2.1,-6.41,;.75,-5.64,;-.57,-6.42,)| Show InChI InChI=1S/C20H21NO/c1-2-4-16(5-3-1)15-22-19-8-6-17(7-9-19)20-14-21-12-10-18(20)11-13-21/h1-9,14,18H,10-13,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21(DE3 pLysS) by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50270302 (3-[7'-(Methoxy)-napht-2'-yl]-quinuclidine-2-ene | ...) Show SMILES COc1ccc2cc(ccc2c1)C1=CN2CCC1CC2 |t:14,(.63,-19.82,;-.71,-19.06,;-2.03,-19.84,;-3.38,-19.07,;-4.71,-19.85,;-4.7,-21.38,;-6.03,-22.15,;-6.03,-23.68,;-4.7,-24.46,;-3.36,-23.69,;-3.36,-22.15,;-2.03,-21.38,;-7.36,-24.45,;-7.36,-26,;-8.7,-26.77,;-10.03,-26,;-10.03,-24.45,;-8.7,-23.67,;-9.43,-25.03,;-7.95,-25.43,)| Show InChI InChI=1S/C18H19NO/c1-20-17-5-4-14-10-16(3-2-15(14)11-17)18-12-19-8-6-13(18)7-9-19/h2-5,10-13H,6-9H2,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50269921 (3-[1'-{2'-(4''-Ethyl ethanoatephenyl)-ethynyl]-3-q...) Show SMILES CCOC(=O)Cc1ccc(cc1)C#CC1(O)CN2CCC1CC2 |(5.4,-7.52,;4.08,-8.3,;2.74,-7.54,;1.41,-8.32,;1.42,-9.86,;.07,-7.57,;-1.26,-8.35,;-1.25,-9.89,;-2.57,-10.66,;-3.91,-9.9,;-3.93,-8.37,;-2.61,-7.59,;-5.24,-10.68,;-6.56,-11.46,;-7.89,-12.23,;-7.91,-10.69,;-7.89,-13.78,;-9.23,-14.55,;-10.57,-13.78,;-10.57,-12.23,;-9.23,-11.46,;-9.97,-12.82,;-8.48,-13.22,)| Show InChI InChI=1S/C19H23NO3/c1-2-23-18(21)13-16-5-3-15(4-6-16)7-10-19(22)14-20-11-8-17(19)9-12-20/h3-6,17,22H,2,8-9,11-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21(DE3 pLysS) by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269921 (3-[1'-{2'-(4''-Ethyl ethanoatephenyl)-ethynyl]-3-q...) Show SMILES CCOC(=O)Cc1ccc(cc1)C#CC1(O)CN2CCC1CC2 |(5.4,-7.52,;4.08,-8.3,;2.74,-7.54,;1.41,-8.32,;1.42,-9.86,;.07,-7.57,;-1.26,-8.35,;-1.25,-9.89,;-2.57,-10.66,;-3.91,-9.9,;-3.93,-8.37,;-2.61,-7.59,;-5.24,-10.68,;-6.56,-11.46,;-7.89,-12.23,;-7.91,-10.69,;-7.89,-13.78,;-9.23,-14.55,;-10.57,-13.78,;-10.57,-12.23,;-9.23,-11.46,;-9.97,-12.82,;-8.48,-13.22,)| Show InChI InChI=1S/C19H23NO3/c1-2-23-18(21)13-16-5-3-15(4-6-16)7-10-19(22)14-20-11-8-17(19)9-12-20/h3-6,17,22H,2,8-9,11-14H2,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269927 ((2S,5S)-2-Hydroxymethyl-5-[1'-(2'-p-biphenyl)-ethy...) Show SMILES OC[C@@H]1CC2CCN1C[C@@H]2C#Cc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C22H23NO/c24-16-22-14-20-12-13-23(22)15-21(20)11-8-17-6-9-19(10-7-17)18-4-2-1-3-5-18/h1-7,9-10,20-22,24H,12-16H2/t20?,21-,22-/m0/s1	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269926 ((2R,5S)-2-Hydroxymethyl-5-[1'-(2'-p-biphenyl)-ethy...) Show SMILES OC[C@H]1CC2CCN1C[C@@H]2C#Cc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C22H23NO/c24-16-22-14-20-12-13-23(22)15-21(20)11-8-17-6-9-19(10-7-17)18-4-2-1-3-5-18/h1-7,9-10,20-22,24H,12-16H2/t20?,21-,22+/m0/s1	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269940 ((2S,5S)-2-Hydroxymethyl-5-[1'-(2'-phenyl)-ethynyl]...) Show SMILES OC[C@@H]1CC2CCN1C[C@@H]2C#Cc1ccccc1 |r| Show InChI InChI=1S/C16H19NO/c18-12-16-10-14-8-9-17(16)11-15(14)7-6-13-4-2-1-3-5-13/h1-5,14-16,18H,8-12H2/t14?,15-,16-/m0/s1	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50270327 ((2R,5S)-2-Hydroxymethyl-5-[1'-(2'-phenyl)-ethynyl]...) Show SMILES OC[C@H]1CC2CCN1C[C@@H]2C#Cc1ccccc1 |r| Show InChI InChI=1S/C16H19NO/c18-12-16-10-14-8-9-17(16)11-15(14)7-6-13-4-2-1-3-5-13/h1-5,14-16,18H,8-12H2/t14?,15-,16+/m0/s1	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269918 (3-[1'-{2'-(5''-Acetylthiophenyl)}-ethynyl]-3-quinu...) Show SMILES CC(=O)c1ccc(s1)C#CC1(O)CN2CCC1CC2 |(11.49,-31.62,;12.41,-32.86,;13.94,-32.68,;11.79,-34.27,;12.57,-35.59,;11.55,-36.74,;10.14,-36.14,;10.29,-34.6,;8.81,-36.92,;7.49,-37.7,;6.16,-38.47,;6.14,-36.93,;6.16,-40.02,;4.82,-40.79,;3.48,-40.02,;3.48,-38.47,;4.82,-37.69,;4.08,-39.05,;5.57,-39.46,)| Show InChI InChI=1S/C15H17NO2S/c1-11(17)14-3-2-13(19-14)4-7-15(18)10-16-8-5-12(15)6-9-16/h2-3,12,18H,5-6,8-10H2,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269919 (3-[1'-{2'-(2''-Methyl-5''-aminophenyl)}-ethynyl]-3...) Show SMILES Cc1ccc(N)cc1C#CC1(O)CN2CCC1CC2 |(27.33,-24.36,;27.33,-22.82,;28.66,-22.04,;28.64,-20.5,;27.3,-19.74,;27.28,-18.2,;25.98,-20.53,;25.99,-22.06,;24.66,-22.83,;23.34,-23.62,;22.01,-24.39,;22,-22.85,;22.01,-25.94,;20.67,-26.71,;19.33,-25.94,;19.33,-24.39,;20.67,-23.61,;19.93,-24.97,;21.42,-25.37,)| Show InChI InChI=1S/C16H20N2O/c1-12-2-3-15(17)10-13(12)4-7-16(19)11-18-8-5-14(16)6-9-18/h2-3,10,14,19H,5-6,8-9,11,17H2,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269924 (3-[1'-{2'-(4''-Chloro-3''-pyridinyl)}-ethynyl]-3-q...) Show SMILES OC1(CN2CCC1CC2)C#Cc1ccc(Cl)nc1 |(-8.28,-22.88,;-8.26,-24.42,;-8.26,-25.97,;-9.61,-26.74,;-10.94,-25.97,;-10.94,-24.42,;-9.61,-23.64,;-10.34,-25,;-8.85,-25.4,;-6.94,-23.65,;-5.61,-22.86,;-4.28,-22.08,;-2.95,-22.85,;-1.62,-22.07,;-1.63,-20.53,;-.31,-19.75,;-2.98,-19.77,;-4.3,-20.55,)| Show InChI InChI=1S/C14H15ClN2O/c15-13-2-1-11(9-16-13)3-6-14(18)10-17-7-4-12(14)5-8-17/h1-2,9,12,18H,4-5,7-8,10H2	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269923 (3-[1'-{2'-(4''-Amino-3''-pyridinyl)}-ethynyl]-3-qu...) Show SMILES Nc1ccc(cn1)C#CC1(O)CN2CCC1CC2 |(32.36,-8.59,;31.04,-9.37,;31.05,-10.91,;29.72,-11.69,;28.39,-10.92,;28.37,-9.39,;29.69,-8.61,;27.06,-11.7,;25.74,-12.48,;24.41,-13.26,;24.39,-11.72,;24.41,-14.8,;23.07,-15.57,;21.73,-14.8,;21.73,-13.26,;23.07,-12.48,;22.33,-13.84,;23.82,-14.24,)| Show InChI InChI=1S/C14H17N3O/c15-13-2-1-11(9-16-13)3-6-14(18)10-17-7-4-12(14)5-8-17/h1-2,9,12,18H,4-5,7-8,10H2,(H2,15,16)	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269922 (3-[1'-{2'-(1H-Indol-4''-yl)}-ethynyl]-3-quinuclidi...) Show SMILES OC1(CN2CCC1CC2)C#Cc1ccc2cc[nH]c2c1 |(8.63,-11.08,;8.65,-12.62,;8.65,-14.17,;7.31,-14.94,;5.97,-14.17,;5.97,-12.62,;7.31,-11.84,;6.57,-13.2,;8.06,-13.6,;9.98,-11.85,;11.3,-11.06,;12.63,-10.28,;12.61,-8.75,;13.93,-7.97,;15.28,-8.73,;16.74,-8.24,;17.65,-9.48,;16.76,-10.73,;15.29,-10.27,;13.96,-11.05,)| Show InChI InChI=1S/C17H18N2O/c20-17(12-19-9-5-15(17)6-10-19)7-3-13-1-2-14-4-8-18-16(14)11-13/h1-2,4,8,11,15,18,20H,5-6,9-10,12H2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50270312 (3-[1'-{2'-(3''-Pyridinyl)}-ethynyl]-3-quinuclidino...) Show SMILES OC1(CN2CCC1CC2)C#Cc1cccnc1 |(25.16,.46,;25.18,-1.08,;25.18,-2.63,;23.83,-3.4,;22.5,-2.63,;22.5,-1.08,;23.83,-.3,;23.1,-1.66,;24.59,-2.06,;26.51,-.31,;27.83,.48,;29.16,1.26,;30.49,.49,;31.82,1.27,;31.81,2.81,;30.46,3.57,;29.14,2.79,)| Show InChI InChI=1S/C14H16N2O/c17-14(6-3-12-2-1-7-15-10-12)11-16-8-4-13(14)5-9-16/h1-2,7,10,13,17H,4-5,8-9,11H2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269939 (3-[1'-{2'-(3'',5''-Dimethylphenyl)}-ethynyl]-3-qui...) Show SMILES Cc1cc(C)cc(c1)C#CC1(O)CN2CCC1CC2 |(14.51,5.35,;14.53,3.81,;15.88,3.05,;15.89,1.51,;17.23,.75,;14.56,.73,;13.23,1.5,;13.21,3.03,;11.9,.72,;10.58,-.07,;9.25,-.84,;9.23,.7,;9.25,-2.39,;7.9,-3.16,;6.57,-2.39,;6.57,-.84,;7.9,-.06,;7.17,-1.42,;8.66,-1.82,)| Show InChI InChI=1S/C17H21NO/c1-13-9-14(2)11-15(10-13)3-6-17(19)12-18-7-4-16(17)5-8-18/h9-11,16,19H,4-5,7-8,12H2,1-2H3	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50270326 (3-[1'-{2'-(4''-Methoxyphenyl)}-ethynyl]-3-quinucli...) Show SMILES COc1ccc(cc1)C#CC1(O)CN2CCC1CC2 |(2.16,3.72,;.82,4.48,;-.51,3.7,;-.5,2.16,;-1.82,1.38,;-3.16,2.15,;-3.17,3.68,;-1.85,4.46,;-4.48,1.37,;-5.81,.58,;-7.14,-.19,;-7.15,1.35,;-7.14,-1.74,;-8.48,-2.51,;-9.81,-1.74,;-9.81,-.19,;-8.48,.59,;-9.21,-.77,;-7.72,-1.17,)| Show InChI InChI=1S/C16H19NO2/c1-19-15-4-2-13(3-5-15)6-9-16(18)12-17-10-7-14(16)8-11-17/h2-5,14,18H,7-8,10-12H2,1H3	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50270325 (3-[1'-{2'-(4''-Hydroxyphenyl)}-ethynyl]-3-quinucli...) Show SMILES Oc1ccc(cc1)C#CC1(O)CN2CCC1CC2 |(32.25,-32.02,;30.92,-32.8,;30.93,-34.34,;29.6,-35.12,;28.27,-34.35,;28.25,-32.82,;29.57,-32.04,;26.94,-35.13,;25.62,-35.91,;24.29,-36.69,;24.27,-35.15,;24.29,-38.24,;22.95,-39.01,;21.61,-38.24,;21.61,-36.69,;22.95,-35.91,;22.21,-37.27,;23.7,-37.67,)| Show InChI InChI=1S/C15H17NO2/c17-14-3-1-12(2-4-14)5-8-15(18)11-16-9-6-13(15)7-10-16/h1-4,13,17-18H,6-7,9-11H2	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269928 ((2R,5S)-2-Hydroxymethyl-5-[1'-{2'-(2''-naphtyl)}-e...) Show SMILES OC[C@H]1CC2CCN1C[C@@H]2C#Cc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H21NO/c22-14-20-12-18-9-10-21(20)13-19(18)8-6-15-5-7-16-3-1-2-4-17(16)11-15/h1-5,7,11,18-20,22H,9-10,12-14H2/t18?,19-,20+/m0/s1	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269929 ((2S,5S)-2-Hydroxymethyl-5-[1'-2'-(2''-naphtyl)}-et...) Show SMILES OC[C@@H]1CC2CCN1C[C@@H]2C#Cc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H21NO/c22-14-20-12-18-9-10-21(20)13-19(18)8-6-15-5-7-16-3-1-2-4-17(16)11-15/h1-5,7,11,18-20,22H,9-10,12-14H2/t18?,19-,20-/m0/s1	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269930 ((2R,5S)-2-Hydroxymethyl-5-[1'-2'-(2''-quinolyl)}-e...) Show SMILES OC[C@H]1CC2CCN1C[C@@H]2C#Cc1cnc2ccccc2c1 |r| Show InChI InChI=1S/C19H20N2O/c22-13-18-10-15-7-8-21(18)12-17(15)6-5-14-9-16-3-1-2-4-19(16)20-11-14/h1-4,9,11,15,17-18,22H,7-8,10,12-13H2/t15?,17-,18+/m0/s1	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269941 ((2S,5S)-2-Hydroxymethyl-5-[1'-2'-(2''-quinolyl)-et...) Show SMILES OC[C@@H]1CC2CCN1C[C@@H]2C#Cc1cnc2ccccc2c1 |r| Show InChI InChI=1S/C19H20N2O/c22-13-18-10-15-7-8-21(18)12-17(15)6-5-14-9-16-3-1-2-4-19(16)20-11-14/h1-4,9,11,15,17-18,22H,7-8,10,12-13H2/t15?,17-,18-/m0/s1	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269932 ((2R,5S)-2-Hydroxymethyl-5-[1'-2'-(4''-ethoxycarbon...) Show SMILES CCOC(=O)c1ccc(cc1)C#C[C@H]1CN2CCC1C[C@@H]2CO |r| Show InChI InChI=1S/C19H23NO3/c1-2-23-19(22)15-6-3-14(4-7-15)5-8-17-12-20-10-9-16(17)11-18(20)13-21/h3-4,6-7,16-18,21H,2,9-13H2,1H3/t16?,17-,18+/m0/s1	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269933 ((2S,5S)-2-Hydroxymethyl-5-[1'-{2'-(4''-ethoxycarbo...) Show SMILES CCOC(=O)c1ccc(cc1)C#C[C@H]1CN2CCC1C[C@H]2CO |r| Show InChI InChI=1S/C19H23NO3/c1-2-23-19(22)15-6-3-14(4-7-15)5-8-17-12-20-10-9-16(17)11-18(20)13-21/h3-4,6-7,16-18,21H,2,9-13H2,1H3/t16?,17-,18-/m0/s1	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269934 ((2R,5S)-2-Hydroxymethyl-5-[1'-{2'-(4''-benzyloxyph...) Show SMILES OC[C@H]1CC2CCN1C[C@@H]2C#Cc1ccc(OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C23H25NO2/c25-16-22-14-20-12-13-24(22)15-21(20)9-6-18-7-10-23(11-8-18)26-17-19-4-2-1-3-5-19/h1-5,7-8,10-11,20-22,25H,12-17H2/t20?,21-,22+/m0/s1	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269935 ((2S,5S)-2-Hydroxymethyl-5-[1'-{2'-(4''-benzyloxyph...) Show SMILES OC[C@@H]1CC2CCN1C[C@@H]2C#Cc1ccc(OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C23H25NO2/c25-16-22-14-20-12-13-24(22)15-21(20)9-6-18-7-10-23(11-8-18)26-17-19-4-2-1-3-5-19/h1-5,7-8,10-11,20-22,25H,12-17H2/t20?,21-,22-/m0/s1	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269942 ((2R,5S)-2-Hydroxymethyl-5-[1'-{2'-(4''-ethyl ethan...) Show SMILES CCOC(=O)Cc1ccc(cc1)C#C[C@H]1CN2CCC1C[C@@H]2CO |r| Show InChI InChI=1S/C20H25NO3/c1-2-24-20(23)11-16-5-3-15(4-6-16)7-8-18-13-21-10-9-17(18)12-19(21)14-22/h3-6,17-19,22H,2,9-14H2,1H3/t17?,18-,19+/m0/s1	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269936 ((2S,5S)-2-Hydroxymethyl-5-[1'-2'-(4''-ethoxycarbon...) Show SMILES CCOC(=O)Cc1ccc(cc1)C#C[C@H]1CN2CCC1C[C@H]2CO |r| Show InChI InChI=1S/C20H25NO3/c1-2-24-20(23)11-16-5-3-15(4-6-16)7-8-18-13-21-10-9-17(18)12-19(21)14-22/h3-6,17-19,22H,2,9-14H2,1H3/t17?,18-,19-/m0/s1	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269938 (3-[1'-2'-(2''-Pyrazinyl)}-ethynyl]-3-quinuclidinol...) Show SMILES OC1(CN2CCC1CC2)C#Cc1cnccn1 |(20.86,-36.14,;20.88,-37.68,;20.88,-39.23,;19.53,-39.99,;18.2,-39.23,;18.2,-37.68,;19.53,-36.9,;18.8,-38.26,;20.29,-38.66,;22.2,-36.91,;23.53,-36.12,;24.85,-35.34,;24.84,-33.82,;26.16,-33.03,;27.5,-33.79,;27.51,-35.33,;26.19,-36.11,)| Show InChI InChI=1S/C13H15N3O/c17-13(4-1-12-9-14-5-6-15-12)10-16-7-2-11(13)3-8-16/h5-6,9,11,17H,2-3,7-8,10H2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269937 (3-[1'-2'-(4''-Hydroxy-3''-benzoic acid)}-ethynyl]-...) Show SMILES OC(=O)c1cc(ccc1O)C#CC1(O)CN2CCC1CC2 |(-4.7,-31.17,;-3.36,-31.93,;-2.03,-31.14,;-3.34,-33.47,;-4.66,-34.25,;-4.65,-35.78,;-3.31,-36.54,;-1.98,-35.76,;-1.99,-34.23,;-.67,-33.44,;-5.97,-36.56,;-7.3,-37.34,;-8.63,-38.11,;-8.64,-36.57,;-8.63,-39.66,;-9.97,-40.43,;-11.3,-39.66,;-11.3,-38.11,;-9.97,-37.33,;-10.7,-38.69,;-9.21,-39.1,)| Show InChI InChI=1S/C16H17NO4/c18-14-2-1-11(9-13(14)15(19)20)3-6-16(21)10-17-7-4-12(16)5-8-17/h1-2,9,12,18,21H,4-5,7-8,10H2,(H,19,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50269925 (3-[1'-{2'-(2''-Amino-5''-methyl methanoatephenyl)}...) Show SMILES COC(=O)c1ccc(N)c(c1)C#CC1(O)CN2CCC1CC2 |(13.38,-19.11,;12.04,-18.35,;10.71,-19.14,;9.37,-18.38,;10.73,-20.68,;12.08,-21.43,;12.09,-22.97,;10.76,-23.75,;10.77,-25.29,;9.43,-22.99,;9.41,-21.46,;8.1,-23.76,;6.78,-24.55,;5.45,-25.32,;5.43,-23.78,;5.45,-26.87,;4.11,-27.64,;2.77,-26.87,;2.77,-25.32,;4.11,-24.54,;3.37,-25.9,;4.86,-26.31,)| Show InChI InChI=1S/C17H20N2O3/c1-22-16(20)13-2-3-15(18)12(10-13)4-7-17(21)11-19-8-5-14(17)6-9-19/h2-3,10,14,21H,5-6,8-9,11,18H2,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50270299 ((E)-3-[4'-(1'',3''-Dioxolanyl)-benzylidene]-quinuc...) Show SMILES C1COC(O1)c1ccc(\C=C2\CN3CCC2CC3)cc1 |(30.99,-2.22,;29.45,-2.22,;28.97,-3.68,;30.22,-4.59,;31.46,-3.69,;30.22,-6.13,;31.54,-6.9,;31.55,-8.43,;30.21,-9.2,;30.21,-10.74,;28.88,-11.51,;28.88,-13.05,;27.53,-13.82,;26.2,-13.05,;26.2,-11.5,;27.53,-10.73,;26.81,-12.09,;28.29,-12.49,;28.88,-8.44,;28.88,-6.9,)| Show InChI InChI=1S/C17H21NO2/c1-3-15(17-19-9-10-20-17)4-2-13(1)11-16-12-18-7-5-14(16)6-8-18/h1-4,11,14,17H,5-10,12H2/b16-11-	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50270283 ((E/Z)-3-(biphenyl-4-ylmethylene)quinuclidine | CHE...) Show SMILES C1CN2CCC1\C(C2)=C\c1ccc(cc1)-c1ccccc1 |(2.83,2.72,;2.83,1.17,;4.16,.4,;4.91,1.73,;3.43,2.14,;4.16,3.5,;5.5,2.72,;5.5,1.17,;6.83,3.49,;8.17,2.72,;8.16,1.18,;9.49,.41,;10.82,1.17,;10.82,2.72,;9.49,3.48,;12.15,.41,;12.15,-1.13,;13.48,-1.9,;14.81,-1.13,;14.81,.42,;13.48,1.18,)| Show InChI InChI=1S/C20H21N/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)14-20-15-21-12-10-19(20)11-13-21/h1-9,14,19H,10-13,15H2/b20-14+	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50270282 ((E/Z)-3-benzylidenequinuclidine | CHEMBL478358) Show SMILES C1CN2CCC1\C(C2)=C\c1ccccc1 |(-9.93,3.02,;-9.93,1.47,;-8.6,.7,;-7.85,2.03,;-9.33,2.44,;-8.6,3.79,;-7.26,3.02,;-7.26,1.47,;-5.93,3.79,;-4.59,3.01,;-4.6,1.48,;-3.27,.71,;-1.94,1.47,;-1.94,3.02,;-3.27,3.78,)| Show InChI InChI=1S/C14H17N/c1-2-4-12(5-3-1)10-14-11-15-8-6-13(14)7-9-15/h1-5,10,13H,6-9,11H2/b14-10+	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50036183 (3-(2'-Benzothiophenyl)-quinuclidine-2-ene | 3-Benz...) Show SMILES C1CN2CCC1C(=C2)c1cc2ccccc2s1 |c:7,(17.86,-23.53,;17.86,-25.08,;19.19,-25.85,;19.95,-24.52,;18.46,-24.12,;19.19,-22.75,;20.54,-23.53,;20.54,-25.08,;21.87,-22.76,;23.27,-23.39,;24.3,-22.24,;25.83,-22.25,;26.6,-20.92,;25.83,-19.59,;24.3,-19.59,;23.54,-20.91,;22.03,-21.23,)| Show InChI InChI=1S/C15H15NS/c1-2-4-14-12(3-1)9-15(17-14)13-10-16-7-5-11(13)6-8-16/h1-4,9-11H,5-8H2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50036185 (3-(2'-Benzofuranyl)-quinuclidine-2-ene | 3-Benzofu...) Show SMILES C1CN2CCC1C(=C2)c1cc2ccccc2o1 |c:7,(3.93,-23.86,;3.93,-25.41,;5.26,-26.18,;6.02,-24.84,;4.53,-24.44,;5.26,-23.08,;6.61,-23.86,;6.61,-25.41,;7.94,-23.09,;9.34,-23.71,;10.37,-22.57,;11.9,-22.57,;12.67,-21.25,;11.9,-19.91,;10.37,-19.91,;9.61,-21.23,;8.1,-21.55,)| Show InChI InChI=1S/C15H15NO/c1-2-4-14-12(3-1)9-15(17-14)13-10-16-7-5-11(13)6-8-16/h1-4,9-11H,5-8H2	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50270323 (3-(3'-Quinolyl)-quinuclidine-2-ene | CHEMBL478340) Show SMILES C1CN2CCC1C(=C2)c1cnc2ccccc2c1 |c:7,(20.51,-11.4,;20.51,-12.95,;21.84,-13.72,;22.59,-12.38,;21.11,-11.98,;21.84,-10.63,;23.18,-11.4,;23.18,-12.95,;24.51,-10.64,;25.84,-11.41,;27.17,-10.64,;27.17,-9.1,;28.5,-8.33,;28.5,-6.79,;27.15,-6.02,;25.83,-6.8,;25.83,-8.33,;24.51,-9.1,)| Show InChI InChI=1S/C16H16N2/c1-2-4-16-13(3-1)9-14(10-17-16)15-11-18-7-5-12(15)6-8-18/h1-4,9-12H,5-8H2	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50270322 (3-(2'-Naphtyl)-quinuclidine-2-ene | CHEMBL516895) Show SMILES C1CN2CCC1C(=C2)c1ccc2ccccc2c1 |c:7,(7.97,-11.66,;7.97,-13.21,;9.31,-13.97,;10.06,-12.64,;8.57,-12.24,;9.31,-10.88,;10.65,-11.66,;10.65,-13.21,;11.98,-10.89,;13.31,-11.66,;14.64,-10.9,;14.64,-9.36,;15.98,-8.58,;15.97,-7.04,;14.63,-6.27,;13.3,-7.05,;13.3,-8.59,;11.98,-9.36,)| Show InChI InChI=1S/C17H17N/c1-2-4-15-11-16(6-5-13(15)3-1)17-12-18-9-7-14(17)8-10-18/h1-6,11-12,14H,7-10H2	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50270315 (3-[1'-{4'-(tert-Butyldimethylsilyloxy)-phenyl}]-qu...) Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C1=CN2CCC1CC2 |t:15,(30.85,1.27,;29.53,2.04,;30.3,3.38,;28.75,.71,;28.2,2.81,;28.97,4.14,;27.45,1.47,;26.87,3.58,;25.54,2.81,;25.54,1.27,;24.2,.5,;22.87,1.27,;22.87,2.81,;24.2,3.58,;21.54,.5,;21.54,-1.04,;20.2,-1.81,;18.86,-1.04,;18.86,.5,;20.2,1.28,;19.46,-.08,;20.95,-.48,)| Show InChI InChI=1S/C19H29NOSi/c1-19(2,3)22(4,5)21-17-8-6-15(7-9-17)18-14-20-12-10-16(18)11-13-20/h6-9,14,16H,10-13H2,1-5H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50270314 (3-[1'-{4'-(Isopropoxycarbonyl)-phenyl}]-quinuclidi...) Show SMILES CC(C)OC(=O)c1ccc(cc1)C1=CN2CCC1CC2 |t:13,(16.96,2.91,;15.62,3.68,;15.62,5.22,;14.29,2.91,;12.96,3.68,;12.96,5.22,;11.63,2.91,;11.62,1.37,;10.29,.6,;8.96,1.38,;8.96,2.91,;10.28,3.68,;7.63,.61,;7.63,-.94,;6.28,-1.71,;4.95,-.94,;4.95,.61,;6.28,1.39,;5.55,.03,;7.04,-.38,)| Show InChI InChI=1S/C17H21NO2/c1-12(2)20-17(19)15-5-3-13(4-6-15)16-11-18-9-7-14(16)8-10-18/h3-6,11-12,14H,7-10H2,1-2H3	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50270313 (3-(2'-Naphtylmethyl)-quinuclidine | CHEMBL506873) Show SMILES C(C1CN2CCC1CC2)c1ccc2ccccc2c1 |(-6.33,-28.4,;-7.67,-29.17,;-7.67,-30.71,;-9.01,-31.48,;-10.34,-30.71,;-10.34,-29.17,;-9.01,-28.39,;-9.74,-29.75,;-8.26,-30.15,;-5,-29.17,;-3.68,-28.4,;-2.35,-29.16,;-2.34,-30.71,;-1.01,-31.47,;-1.01,-33,;-2.35,-33.78,;-3.68,-33.01,;-3.68,-31.47,;-5.01,-30.71,)| Show InChI InChI=1S/C18H21N/c1-2-4-17-11-14(5-6-15(17)3-1)12-18-13-19-9-7-16(18)8-10-19/h1-6,11,16,18H,7-10,12-13H2	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50052357 (3-Biphenyl-4-ylmethyl-1-aza-bicyclo[2.2.2]octane |...) Show SMILES C(C1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |(24.24,-17.57,;22.91,-18.33,;22.91,-19.88,;21.57,-20.65,;20.23,-19.88,;20.23,-18.33,;21.57,-17.56,;20.83,-18.92,;22.32,-19.32,;25.58,-18.34,;25.57,-19.88,;26.9,-20.64,;28.23,-19.88,;28.23,-18.33,;26.9,-17.57,;29.56,-20.64,;29.56,-22.19,;30.89,-22.96,;32.23,-22.19,;32.22,-20.64,;30.89,-19.88,)| Show InChI InChI=1S/C20H23N/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)14-20-15-21-12-10-19(20)11-13-21/h1-9,19-20H,10-15H2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50270301 (3-benzylquinuclidine | CHEMBL478913) Show SMILES C(C1CN2CCC1CC2)c1ccccc1 |(10.4,-17.69,;9.07,-18.46,;9.07,-20.01,;7.72,-20.78,;6.39,-20.01,;6.39,-18.46,;7.72,-17.68,;6.99,-19.04,;8.48,-19.45,;11.73,-18.46,;13.05,-17.69,;14.39,-18.46,;14.39,-20.01,;13.06,-20.77,;11.72,-20,)| Show InChI InChI=1S/C14H19N/c1-2-4-12(5-3-1)10-14-11-15-8-6-13(14)7-9-15/h1-5,13-14H,6-11H2	KEGG UniProtKB/TrEMBL 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
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair

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