Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'schiehser' and Initial = 'g'   

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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50017434 (4-{4-[4-(3-trifluoromethylphenyl)hexahydro-1-pyraz...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)S2(=O)=O)CC1 |c:25,(15.77,-8.73,;14.27,-8.35,;14.27,-6.8,;15.61,-7.56,;13.2,-9.44,;13.72,-10.89,;12.72,-12.08,;11.21,-11.81,;10.69,-10.36,;11.66,-9.17,;9.17,-10.09,;8.18,-11.28,;6.66,-11.01,;6.13,-9.56,;4.63,-9.28,;3.64,-10.44,;2.12,-10.15,;1.11,-11.33,;-.41,-11.04,;-1.48,-12.08,;-1.24,-13.61,;-2.86,-11.37,;-2.6,-9.86,;-3.79,-8.88,;-3.38,-10.37,;-4.92,-10.37,;-4.17,-11.69,;-5.49,-10.92,;-6.68,-9.95,;-5.24,-9.41,;-1.06,-9.66,;.13,-8.7,;-2.02,-8.44,;7.12,-8.38,;8.64,-8.66,)| Show InChI InChI=1S/C25H30F3N3O3S/c26-25(27,28)16-4-3-5-17(14-16)30-12-10-29(11-13-30)8-1-2-9-31-24(32)22-18-6-7-19(21-15-20(18)21)23(22)35(31,33)34/h3-7,14,18-23H,1-2,8-13,15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 3 -5				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50017437 (1,1-Dioxo-2-[4-(2,3,5,6-tetrahydro-[1,2']bipyrazin...) Show SMILES Cl.Cl.O=C1N(CCCCN2CCN(CC2)c2cnccn2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C19H23N5O3S/c25-19-16-5-1-2-6-17(16)28(26,27)24(19)10-4-3-9-22-11-13-23(14-12-22)18-15-20-7-8-21-18/h1-2,5-8,15H,3-4,9-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and value ranges from 6 - 13				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50017432 (4-{4-[4-(2-pyrimidinyl)hexahydro-1-pyrazinyl]butyl...) Show SMILES Cl.Cl.O=C1C2C(C3C=CC2C2C=CC32)S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:5,10,TLB:14:5:10.13:8.7,THB:12:13:4.5:8.7,11:10:4.5:8.7| Show InChI InChI=1S/C23H29N5O3S/c29-22-20-18-6-7-19(17-5-4-16(17)18)21(20)32(30,31)28(22)11-2-1-10-26-12-14-27(15-13-26)23-24-8-3-9-25-23/h3-9,16-21H,1-2,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-HT1A receptor of rat hippocampus and the value ranges from 9 - 12				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50005127 (1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50017432 (4-{4-[4-(2-pyrimidinyl)hexahydro-1-pyrazinyl]butyl...) Show SMILES Cl.Cl.O=C1C2C(C3C=CC2C2C=CC32)S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:5,10,TLB:14:5:10.13:8.7,THB:12:13:4.5:8.7,11:10:4.5:8.7| Show InChI InChI=1S/C23H29N5O3S/c29-22-20-18-6-7-19(17-5-4-16(17)18)21(20)32(30,31)28(22)11-2-1-10-26-12-14-27(15-13-26)23-24-8-3-9-25-23/h3-9,16-21H,1-2,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-HT1A receptor of rat hippocampus and the value ranges from 9 - 12				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50001859 ((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50017431 (4-{4-[4-(6-chloro-2-pyrazinyl)hexahydro-1-pyraziny...) Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)S2(=O)=O)CC1 |c:22,(13.95,-8.09,;13.19,-9.44,;13.72,-10.89,;12.72,-12.08,;11.21,-11.81,;10.68,-10.36,;11.66,-9.17,;9.17,-10.08,;8.64,-8.66,;7.12,-8.38,;6.13,-9.56,;4.63,-9.28,;3.64,-10.44,;2.12,-10.15,;1.11,-11.33,;-.41,-11.04,;-1.48,-12.08,;-1.24,-13.61,;-2.86,-11.37,;-2.6,-9.86,;-3.79,-8.88,;-3.38,-10.37,;-4.92,-10.37,;-4.17,-11.69,;-5.49,-10.94,;-6.68,-9.92,;-5.21,-9.4,;-1.06,-9.65,;-2.02,-8.44,;.13,-8.7,;6.66,-11.01,;8.17,-11.27,)| Show InChI InChI=1S/C22H28ClN5O3S/c23-18-12-24-13-19(25-18)27-9-7-26(8-10-27)5-1-2-6-28-22(29)20-14-3-4-15(17-11-16(14)17)21(20)32(28,30)31/h3-4,12-17,20-21H,1-2,5-11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus (94%CI) from 12 to 17				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50017443 (3,3-Dioxo-4-{4-[4-(3-trifluoromethyl-phenyl)-piper...) Show SMILES Cl.Cl.FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CC(C=C4)C3S2(=O)=O)CC1 |c:26| Show InChI InChI=1S/C23H28F3N3O3S/c24-23(25,26)18-4-3-5-19(15-18)28-12-10-27(11-13-28)8-1-2-9-29-22(30)20-16-6-7-17(14-16)21(20)33(29,31)32/h3-7,15-17,20-21H,1-2,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 12 to 17.				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50017447 (3,3-Dioxo-4-{4-[4-(3-trifluoromethyl-phenyl)-piper...) Show SMILES Cl.Cl.FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CCC(C4)C3S2(=O)=O)CC1 Show InChI InChI=1S/C23H30F3N3O3S/c24-23(25,26)18-4-3-5-19(15-18)28-12-10-27(11-13-28)8-1-2-9-29-22(30)20-16-6-7-17(14-16)21(20)33(29,31)32/h3-5,15-17,20-21H,1-2,6-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 12 to 20.				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50017435 (4-{4-[4-(2-pyrimidinyl)hexahydro-1-pyrazinyl]butyl...) Show SMILES O=C1C2C(C3CCC2C2CC32)S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C22H31N5O3S/c28-21-19-15-4-5-16(18-14-17(15)18)20(19)31(29,30)27(21)9-2-1-8-25-10-12-26(13-11-25)22-23-6-3-7-24-22/h3,6-7,15-20H,1-2,4-5,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus. and the value ranges from 16 - 27				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50017442 (3,3-Dioxo-4-{4-[4-(3-trifluoromethyl-phenyl)-piper...) Show SMILES Cl.Cl.FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CCC(O4)C3S2(=O)=O)CC1 Show InChI InChI=1S/C22H28F3N3O4S/c23-22(24,25)15-4-3-5-16(14-15)27-12-10-26(11-13-27)8-1-2-9-28-21(29)19-17-6-7-18(32-17)20(19)33(28,30)31/h3-5,14,17-20H,1-2,6-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and value ranges from 15 - 31				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50017445 (4-{4-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-3...) Show SMILES Cl.Cl.Cl.Clc1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CCC(O4)C3S2(=O)=O)CC1 Show InChI InChI=1S/C21H28ClN3O4S/c22-15-4-3-5-16(14-15)24-12-10-23(11-13-24)8-1-2-9-25-21(26)19-17-6-7-18(29-17)20(19)30(25,27)28/h3-5,14,17-20H,1-2,6-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and value ranges from 27 - 42				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50017444 (4-{4-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-3...) Show SMILES Cl.Cl.Cl.Clc1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CCC(C4)C3S2(=O)=O)CC1 Show InChI InChI=1S/C22H30ClN3O3S/c23-18-4-3-5-19(15-18)25-12-10-24(11-13-25)8-1-2-9-26-22(27)20-16-6-7-17(14-16)21(20)30(26,28)29/h3-5,15-17,20-21H,1-2,6-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 25 - 84				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50017433 (3,3-Dioxo-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...) Show SMILES Cl.Cl.O=C1C2C3CCC(C3)C2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C20H29N5O3S/c26-19-17-15-4-5-16(14-15)18(17)29(27,28)25(19)9-2-1-8-23-10-12-24(13-11-23)20-21-6-3-7-22-20/h3,6-7,15-18H,1-2,4-5,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 48 to 59				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50017443 (3,3-Dioxo-4-{4-[4-(3-trifluoromethyl-phenyl)-piper...) Show SMILES Cl.Cl.FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CC(C=C4)C3S2(=O)=O)CC1 |c:26| Show InChI InChI=1S/C23H28F3N3O3S/c24-23(25,26)18-4-3-5-19(15-18)28-12-10-27(11-13-28)8-1-2-9-29-22(30)20-16-6-7-17(14-16)21(20)33(29,31)32/h3-7,15-17,20-21H,1-2,8-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures.				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001859 ((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]spiperone binding to dopamine receptor D2 of rat limbic structures				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50017432 (4-{4-[4-(2-pyrimidinyl)hexahydro-1-pyrazinyl]butyl...) Show SMILES Cl.Cl.O=C1C2C(C3C=CC2C2C=CC32)S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:5,10,TLB:14:5:10.13:8.7,THB:12:13:4.5:8.7,11:10:4.5:8.7| Show InChI InChI=1S/C23H29N5O3S/c29-22-20-18-6-7-19(17-5-4-16(17)18)21(20)32(30,31)28(22)11-2-1-10-26-12-14-27(15-13-26)23-24-8-3-9-25-23/h3-9,16-21H,1-2,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures and the value ranges from 116 - 159.				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50017436 (3,3-Dioxo-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...) Show SMILES Cl.Cl.O=C1C2C3CC(C=C3)C2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:6| Show InChI InChI=1S/C20H27N5O3S/c26-19-17-15-4-5-16(14-15)18(17)29(27,28)25(19)9-2-1-8-23-10-12-24(13-11-23)20-21-6-3-7-22-20/h3-7,15-18H,1-2,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	434	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 245 to 736				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50017441 (2-[4-(3'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazin...) Show SMILES Clc1nccnc1N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 Show InChI InChI=1S/C19H22ClN5O3S/c20-17-18(22-8-7-21-17)24-13-11-23(12-14-24)9-3-4-10-25-19(26)15-5-1-2-6-16(15)29(25,27)28/h1-2,5-8H,3-4,9-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	493	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures (95%CI) from 375-661				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50017440 (4-[4-(6'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazin...) Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C4CCC(O4)C3S2(=O)=O)CC1 Show InChI InChI=1S/C19H26ClN5O4S/c20-15-11-21-12-16(22-15)24-9-7-23(8-10-24)5-1-2-6-25-19(26)17-13-3-4-14(29-13)18(17)30(25,27)28/h11-14,17-18H,1-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus (94%CI) from 391-841				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50017431 (4-{4-[4-(6-chloro-2-pyrazinyl)hexahydro-1-pyraziny...) Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)S2(=O)=O)CC1 |c:22,(13.95,-8.09,;13.19,-9.44,;13.72,-10.89,;12.72,-12.08,;11.21,-11.81,;10.68,-10.36,;11.66,-9.17,;9.17,-10.08,;8.64,-8.66,;7.12,-8.38,;6.13,-9.56,;4.63,-9.28,;3.64,-10.44,;2.12,-10.15,;1.11,-11.33,;-.41,-11.04,;-1.48,-12.08,;-1.24,-13.61,;-2.86,-11.37,;-2.6,-9.86,;-3.79,-8.88,;-3.38,-10.37,;-4.92,-10.37,;-4.17,-11.69,;-5.49,-10.94,;-6.68,-9.92,;-5.21,-9.4,;-1.06,-9.65,;-2.02,-8.44,;.13,-8.7,;6.66,-11.01,;8.17,-11.27,)| Show InChI InChI=1S/C22H28ClN5O3S/c23-18-12-24-13-19(25-18)27-9-7-26(8-10-27)5-1-2-6-28-22(29)20-14-3-4-15(17-11-16(14)17)21(20)32(28,30)31/h3-4,12-17,20-21H,1-2,5-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures.				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50017436 (3,3-Dioxo-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...) Show SMILES Cl.Cl.O=C1C2C3CC(C=C3)C2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:6| Show InChI InChI=1S/C20H27N5O3S/c26-19-17-15-4-5-16(14-15)18(17)29(27,28)25(19)9-2-1-8-23-10-12-24(13-11-23)20-21-6-3-7-22-20/h3-7,15-18H,1-2,8-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50017438 (4-{4-[4-(2-pyrimidinyl)hexahydro-1-pyrazinyl]butyl...) Show SMILES Cl.Cl.O=C1C2C(C3C=CC2C2CC32)S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:5,THB:3:4:10.12:8.7,11:10:4.5:8.7,11:12:4.5:8.7| Show InChI InChI=1S/C22H29N5O3S/c28-21-19-15-4-5-16(18-14-17(15)18)20(19)31(29,30)27(21)9-2-1-8-25-10-12-26(13-11-25)22-23-6-3-7-24-22/h3-7,15-20H,1-2,8-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures.				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50017439 (3,3-Dioxo-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...) Show SMILES Cl.Cl.O=C1C2C(C3CCC2C=C3)S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:9| Show InChI InChI=1S/C21H29N5O3S/c27-20-18-16-4-6-17(7-5-16)19(18)30(28,29)26(20)11-2-1-10-24-12-14-25(15-13-24)21-22-8-3-9-23-21/h3-4,6,8-9,16-19H,1-2,5,7,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50017446 (4-[4-(3'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazin...) Show SMILES Clc1nccnc1N1CCN(CCCCN2C(=O)C3C4CCC(O4)C3S2(=O)=O)CC1 Show InChI InChI=1S/C19H26ClN5O4S/c20-17-18(22-6-5-21-17)24-11-9-23(10-12-24)7-1-2-8-25-19(26)15-13-3-4-14(29-13)16(15)30(25,27)28/h5-6,13-16H,1-4,7-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures.				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25418 (2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phenol |...) Show SMILES Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)-c1ccc(F)cc1 Show InChI InChI=1S/C18H11Cl2FO2/c19-13-4-8-17(15(20)10-13)23-18-7-3-12(9-16(18)22)11-1-5-14(21)6-2-11/h1-10,22H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25403 (4‐(2,4‐dichlorophenoxy)‐3‐...) Show SMILES Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)C#N Show InChI InChI=1S/C13H7Cl2NO2/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-6,17H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174772 (CHEMBL200658 | N-(3-chloro-4-(4-chloro-2-hydroxyph...) Show SMILES CC(=O)Nc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2NO3/c1-8(18)17-10-3-5-13(11(16)7-10)20-14-4-2-9(15)6-12(14)19/h2-7,19H,1H3,(H,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25419 (5-benzyl-2-(2,4-dichlorophenoxy)phenol | Triclosan...) Show SMILES Oc1cc(Cc2ccccc2)ccc1Oc1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H14Cl2O2/c20-15-7-9-18(16(21)12-15)23-19-8-6-14(11-17(19)22)10-13-4-2-1-3-5-13/h1-9,11-12,22H,10H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM8726 (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM8726 (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM8726 (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum ENR enzymatic activity				Bioorg Med Chem Lett 16: 2163-9 (2006) Article DOI: 10.1016/j.bmcl.2006.01.051 BindingDB Entry DOI: 10.7270/Q2154GNG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25420 (2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol | ...) Show SMILES Oc1cc(CCc2ccccc2)ccc1Oc1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H16Cl2O2/c21-16-9-11-19(17(22)13-16)24-20-10-8-15(12-18(20)23)7-6-14-4-2-1-3-5-14/h1-5,8-13,23H,6-7H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25407 (2‐(2,4‐dichlorophenoxy)‐5‐...) Show SMILES CCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C14H12Cl2O2/c1-2-9-3-5-14(12(17)7-9)18-13-6-4-10(15)8-11(13)16/h3-8,17H,2H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174766 (3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzamide | ...) Show SMILES NC(=O)c1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1 Show InChI InChI=1S/C13H9Cl2NO3/c14-8-2-4-12(10(17)6-8)19-11-3-1-7(13(16)18)5-9(11)15/h1-6,17H,(H2,16,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174775 (3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzonitrile...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(cc1Cl)C#N Show InChI InChI=1S/C13H7Cl2NO2/c14-9-2-4-13(11(17)6-9)18-12-3-1-8(7-16)5-10(12)15/h1-6,17H	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25412 (2-(2,4-dichlorophenoxy)-5-(3-methylbutyl)phenol | ...) Show SMILES CC(C)CCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C17H18Cl2O2/c1-11(2)3-4-12-5-7-17(15(20)9-12)21-16-8-6-13(18)10-14(16)19/h5-11,20H,3-4H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25402 (2-(2,4-dichlorophenoxy)-5-phenylphenol | Triclosan...) Show SMILES Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)-c1ccccc1 Show InChI InChI=1S/C18H12Cl2O2/c19-14-7-9-17(15(20)11-14)22-18-8-6-13(10-16(18)21)12-4-2-1-3-5-12/h1-11,21H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174760 (2‐[4‐(benzylamino)‐2‐chlor...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C19H15Cl2NO2/c20-14-6-8-19(17(23)10-14)24-18-9-7-15(11-16(18)21)22-12-13-4-2-1-3-5-13/h1-11,22-23H,12H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174769 (CHEMBL198781 | N-(3-chloro-4-(4-chloro-2-hydroxyph...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(NS(=O)(=O)C(F)(F)F)cc1Cl Show InChI InChI=1S/C13H8Cl2F3NO4S/c14-7-1-3-12(10(20)5-7)23-11-4-2-8(6-9(11)15)19-24(21,22)13(16,17)18/h1-6,19-20H	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174778 (1-(3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl)ur...) Show SMILES NC(=O)Nc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1 Show InChI InChI=1S/C13H10Cl2N2O3/c14-7-1-3-12(10(18)5-7)20-11-4-2-8(6-9(11)15)17-13(16)19/h1-6,18H,(H3,16,17,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174776 (CHEMBL200871 | N-(3-chloro-4-(4-chloro-2-hydroxyph...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(NC(=O)c2ccccc2)cc1Cl Show InChI InChI=1S/C19H13Cl2NO3/c20-13-6-8-18(16(23)10-13)25-17-9-7-14(11-15(17)21)22-19(24)12-4-2-1-3-5-12/h1-11,23H,(H,22,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25410 (2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol |...) Show SMILES CC(C)Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C16H16Cl2O2/c1-10(2)7-11-3-5-16(14(19)8-11)20-15-6-4-12(17)9-13(15)18/h3-6,8-10,19H,7H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174770 (5-chloro-2-(2-chloro-4-nitrophenoxy)phenol | CHEMB...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(cc1Cl)[N+]([O-])=O Show InChI InChI=1S/C12H7Cl2NO4/c13-7-1-3-12(10(16)5-7)19-11-4-2-8(15(17)18)6-9(11)14/h1-6,16H	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25417 (2-(2,4-dichlorophenoxy)-5-(4-methylphenyl)phenol |...) Show SMILES Cc1ccc(cc1)-c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C19H14Cl2O2/c1-12-2-4-13(5-3-12)14-6-8-19(17(22)10-14)23-18-9-7-15(20)11-16(18)21/h2-11,22H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174767 (2-(3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl)ac...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(CC#N)cc1Cl Show InChI InChI=1S/C14H9Cl2NO2/c15-10-2-4-14(12(18)8-10)19-13-3-1-9(5-6-17)7-11(13)16/h1-4,7-8,18H,5H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174754 ((3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl)(mor...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(cc1Cl)C(=O)N1CCOCC1 Show InChI InChI=1S/C17H15Cl2NO4/c18-12-2-4-16(14(21)10-12)24-15-3-1-11(9-13(15)19)17(22)20-5-7-23-8-6-20/h1-4,9-10,21H,5-8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25401 (2-(2,4-dichlorophenoxy)-5-methylphenol | Triclosan...) Show SMILES Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C13H10Cl2O2/c1-8-2-4-13(11(16)6-8)17-12-5-3-9(14)7-10(12)15/h2-7,16H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25408 (2-(2,4-dichlorophenoxy)-5-propylphenol | Triclosan...) Show SMILES CCCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C15H14Cl2O2/c1-2-3-10-4-6-15(13(18)8-10)19-14-7-5-11(16)9-12(14)17/h4-9,18H,2-3H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174768 (5‐chloro‐2‐(2‐chloro‐...) Show SMILES Oc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1 Show InChI InChI=1S/C12H8Cl2O3/c13-7-1-3-12(10(16)5-7)17-11-4-2-8(15)6-9(11)14/h1-6,15-16H	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair				3D Structure (docked)

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