Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'riscoe' and Initial = 'm'   

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
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM434960 (US10584098, Code ELQ-359) Show SMILES Cc1nc2cc(CO)c(Cl)cc2c(OC(=O)OCC=C)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C28H21ClF3NO6/c1-3-12-36-27(35)38-26-22-14-23(29)18(15-34)13-24(22)33-16(2)25(26)17-4-6-19(7-5-17)37-20-8-10-21(11-9-20)39-28(30,31)32/h3-11,13-14,34H,1,12,15H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health & Science University US Patent					Assay Description In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...				US Patent US10584098 (2020) BindingDB Entry DOI: 10.7270/Q2R213TH
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM434954 (US10584098, Code ELQ-336) Show SMILES COC(=O)Oc1c(c(C)nc2cc(CO)c(Cl)cc12)-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C26H19ClF3NO6/c1-14-23(24(36-25(33)34-2)20-12-21(27)16(13-32)11-22(20)31-14)15-3-5-17(6-4-15)35-18-7-9-19(10-8-18)37-26(28,29)30/h3-12,32H,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health & Science University US Patent					Assay Description In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...				US Patent US10584098 (2020) BindingDB Entry DOI: 10.7270/Q2R213TH
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM434955 (US10584098, Code ELQ-337) Show SMILES CCOC(=O)Oc1c(c(C)nc2cc(CO)c(Cl)cc12)-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C27H21ClF3NO6/c1-3-35-26(34)37-25-21-13-22(28)17(14-33)12-23(21)32-15(2)24(25)16-4-6-18(7-5-16)36-19-8-10-20(11-9-19)38-27(29,30)31/h4-13,33H,3,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health & Science University US Patent					Assay Description In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...				US Patent US10584098 (2020) BindingDB Entry DOI: 10.7270/Q2R213TH
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM434964 (US10584098, Code ELQ-379) Show SMILES Cc1nc2cc(CO)c(Cl)cc2c(OC(=O)c2ccccc2)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C31H21ClF3NO5/c1-18-28(19-7-9-22(10-8-19)39-23-11-13-24(14-12-23)41-31(33,34)35)29(40-30(38)20-5-3-2-4-6-20)25-16-26(32)21(17-37)15-27(25)36-18/h2-16,37H,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health & Science University US Patent					Assay Description In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...				US Patent US10584098 (2020) BindingDB Entry DOI: 10.7270/Q2R213TH
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM434962 (US10584098, Code ELQ-374) Show SMILES Cc1nc2cc(CO)c(Cl)cc2c(OC(=O)OCC2COC(C)(C)O2)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C31H27ClF3NO8/c1-17-27(18-4-6-20(7-5-18)41-21-8-10-22(11-9-21)44-31(33,34)35)28(24-13-25(32)19(14-37)12-26(24)36-17)42-29(38)39-15-23-16-40-30(2,3)43-23/h4-13,23,37H,14-16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health & Science University US Patent					Assay Description In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...				US Patent US10584098 (2020) BindingDB Entry DOI: 10.7270/Q2R213TH
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM434956 (US10584098, Code ELQ-354) Show SMILES COCCOC(=O)Oc1c(c(C)nc2cc(CO)c(Cl)cc12)-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C28H23ClF3NO7/c1-16-25(17-3-5-19(6-4-17)38-20-7-9-21(10-8-20)40-28(30,31)32)26(39-27(35)37-12-11-36-2)22-14-23(29)18(15-34)13-24(22)33-16/h3-10,13-14,34H,11-12,15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health & Science University US Patent					Assay Description In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...				US Patent US10584098 (2020) BindingDB Entry DOI: 10.7270/Q2R213TH
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM434953 (US10584098, Code ELQ-300) Show SMILES Cc1[nH]c2cc(CO)c(Cl)cc2c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C24H17ClF3NO4/c1-13-22(23(31)19-11-20(25)15(12-30)10-21(19)29-13)14-2-4-16(5-3-14)32-17-6-8-18(9-7-17)33-24(26,27)28/h2-11,30H,12H2,1H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health & Science University US Patent					Assay Description In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...				US Patent US10584098 (2020) BindingDB Entry DOI: 10.7270/Q2R213TH
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM434961 (US10584098, Code ELQ-373) Show SMILES Cc1nc2cc(CO)c(Cl)cc2c(OC(=O)OCC2COC(=O)O2)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C29H21ClF3NO9/c1-15-25(16-2-4-18(5-3-16)40-19-6-8-20(9-7-19)43-29(31,32)33)26(22-11-23(30)17(12-35)10-24(22)34-15)42-28(37)39-14-21-13-38-27(36)41-21/h2-11,21,35H,12-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health & Science University US Patent					Assay Description In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...				US Patent US10584098 (2020) BindingDB Entry DOI: 10.7270/Q2R213TH
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM434958 (US10584098, Code ELQ-357) Show SMILES Cc1nc2cc(CO)c(Cl)cc2c(OC(=O)C(C)(C)C)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C29H25ClF3NO5/c1-16-25(17-5-7-19(8-6-17)37-20-9-11-21(12-10-20)39-29(31,32)33)26(38-27(36)28(2,3)4)22-14-23(30)18(15-35)13-24(22)34-16/h5-14,35H,15H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health & Science University US Patent					Assay Description In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...				US Patent US10584098 (2020) BindingDB Entry DOI: 10.7270/Q2R213TH
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM434957 (US10584098, Code ELQ-355) Show SMILES Cc1nc2cc(CO)c(Cl)cc2c(OC(=O)OC2CCS(=O)(=O)C2)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C29H23ClF3NO8S/c1-16-26(17-2-4-19(5-3-17)39-20-6-8-21(9-7-20)42-29(31,32)33)27(23-13-24(30)18(14-35)12-25(23)34-16)41-28(36)40-22-10-11-43(37,38)15-22/h2-9,12-13,22,35H,10-11,14-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health & Science University US Patent					Assay Description In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...				US Patent US10584098 (2020) BindingDB Entry DOI: 10.7270/Q2R213TH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM434959 (US10584098, Code ELQ-358) Show SMILES Cc1nc2cc(CO)c(Cl)cc2c(OC(=O)OC(C)(C)C)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C29H25ClF3NO6/c1-16-25(17-5-7-19(8-6-17)37-20-9-11-21(12-10-20)39-29(31,32)33)26(38-27(36)40-28(2,3)4)22-14-23(30)18(15-35)13-24(22)34-16/h5-14,35H,15H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health & Science University US Patent					Assay Description In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...				US Patent US10584098 (2020) BindingDB Entry DOI: 10.7270/Q2R213TH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5HT uptake at human SERT expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM434963 (US10584098, Code ELQ-375) Show SMILES CC(C)C(=O)Oc1c(c(C)nc2cc(CO)c(Cl)cc12)-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C28H23ClF3NO5/c1-15(2)27(35)37-26-22-13-23(29)18(14-34)12-24(22)33-16(3)25(26)17-4-6-19(7-5-17)36-20-8-10-21(11-9-20)38-28(30,31)32/h4-13,15,34H,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health & Science University US Patent					Assay Description In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...				US Patent US10584098 (2020) BindingDB Entry DOI: 10.7270/Q2R213TH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5HT uptake at human SERT expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM35938 (1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...) Show SMILES CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1 Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine receptor subtype 1 expressed in CHO cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5HT uptake at human SERT expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50249783 (10-(6-(diethylamino)hexyl)acridin-9(10H)-one | CHE...) Show SMILES CCN(CC)CCCCCCn1c2ccccc2c(=O)c2ccccc12 Show InChI InChI=1S/C23H30N2O/c1-3-24(4-2)17-11-5-6-12-18-25-21-15-9-7-13-19(21)23(26)20-14-8-10-16-22(20)25/h7-10,13-16H,3-6,11-12,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5HT uptake at human SERT expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50249783 (10-(6-(diethylamino)hexyl)acridin-9(10H)-one | CHE...) Show SMILES CCN(CC)CCCCCCn1c2ccccc2c(=O)c2ccccc12 Show InChI InChI=1S/C23H30N2O/c1-3-24(4-2)17-11-5-6-12-18-25-21-15-9-7-13-19(21)23(26)20-14-8-10-16-22(20)25/h7-10,13-16H,3-6,11-12,17-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine receptor subtype 1 expressed in CHO cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50249782 (10-(5-(diethylamino)pentyl)acridin-9(10H)-one | CH...) Show SMILES CCN(CC)CCCCCn1c2ccccc2c(=O)c2ccccc12 Show InChI InChI=1S/C22H28N2O/c1-3-23(4-2)16-10-5-11-17-24-20-14-8-6-12-18(20)22(25)19-13-7-9-15-21(19)24/h6-9,12-15H,3-5,10-11,16-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5HT uptake at human SERT expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50249782 (10-(5-(diethylamino)pentyl)acridin-9(10H)-one | CH...) Show SMILES CCN(CC)CCCCCn1c2ccccc2c(=O)c2ccccc12 Show InChI InChI=1S/C22H28N2O/c1-3-23(4-2)16-10-5-11-17-24-20-14-8-6-12-18(20)22(25)19-13-7-9-15-21(19)24/h6-9,12-15H,3-5,10-11,16-17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50249783 (10-(6-(diethylamino)hexyl)acridin-9(10H)-one | CHE...) Show SMILES CCN(CC)CCCCCCn1c2ccccc2c(=O)c2ccccc12 Show InChI InChI=1S/C23H30N2O/c1-3-24(4-2)17-11-5-6-12-18-25-21-15-9-7-13-19(21)23(26)20-14-8-10-16-22(20)25/h7-10,13-16H,3-6,11-12,17-18H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50249781 (10-(4-(diethylamino)butyl)acridin-9(10H)-one | CHE...) Show SMILES CCN(CC)CCCCn1c2ccccc2c(=O)c2ccccc12 Show InChI InChI=1S/C21H26N2O/c1-3-22(4-2)15-9-10-16-23-19-13-7-5-11-17(19)21(24)18-12-6-8-14-20(18)23/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50249780 (10-(3-(diethylamino)propyl)acridin-9(10H)-one | CH...) Show SMILES CCN(CC)CCCn1c2ccccc2c(=O)c2ccccc12 Show InChI InChI=1S/C20H24N2O/c1-3-21(4-2)14-9-15-22-18-12-7-5-10-16(18)20(23)17-11-6-8-13-19(17)22/h5-8,10-13H,3-4,9,14-15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50249759 (10-(2-(diethylamino)ethyl)acridin-9(10H)-one | CHE...) Show SMILES CCN(CC)CCn1c2ccccc2c(=O)c2ccccc12 Show InChI InChI=1S/C19H22N2O/c1-3-20(4-2)13-14-21-17-11-7-5-9-15(17)19(22)16-10-6-8-12-18(16)21/h5-12H,3-4,13-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50249781 (10-(4-(diethylamino)butyl)acridin-9(10H)-one | CHE...) Show SMILES CCN(CC)CCCCn1c2ccccc2c(=O)c2ccccc12 Show InChI InChI=1S/C21H26N2O/c1-3-22(4-2)15-9-10-16-23-19-13-7-5-11-17(19)21(24)18-12-6-8-14-20(18)23/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5HT uptake at human SERT expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50249780 (10-(3-(diethylamino)propyl)acridin-9(10H)-one | CH...) Show SMILES CCN(CC)CCCn1c2ccccc2c(=O)c2ccccc12 Show InChI InChI=1S/C20H24N2O/c1-3-21(4-2)14-9-15-22-18-12-7-5-10-16(18)20(23)17-11-6-8-13-19(17)22/h5-8,10-13H,3-4,9,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5HT uptake at human SERT expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50249759 (10-(2-(diethylamino)ethyl)acridin-9(10H)-one | CHE...) Show SMILES CCN(CC)CCn1c2ccccc2c(=O)c2ccccc12 Show InChI InChI=1S/C19H22N2O/c1-3-20(4-2)13-14-21-17-11-7-5-9-15(17)19(22)16-10-6-8-12-18(16)21/h5-12H,3-4,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5HT uptake at human SERT expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50249783 (10-(6-(diethylamino)hexyl)acridin-9(10H)-one | CHE...) Show SMILES CCN(CC)CCCCCCn1c2ccccc2c(=O)c2ccccc12 Show InChI InChI=1S/C23H30N2O/c1-3-24(4-2)17-11-5-6-12-18-25-21-15-9-7-13-19(21)23(26)20-14-8-10-16-22(20)25/h7-10,13-16H,3-6,11-12,17-18H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50249782 (10-(5-(diethylamino)pentyl)acridin-9(10H)-one | CH...) Show SMILES CCN(CC)CCCCCn1c2ccccc2c(=O)c2ccccc12 Show InChI InChI=1S/C22H28N2O/c1-3-23(4-2)16-10-5-11-17-24-20-14-8-6-12-18(20)22(25)19-13-7-9-15-21(19)24/h6-9,12-15H,3-5,10-11,16-17H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50249781 (10-(4-(diethylamino)butyl)acridin-9(10H)-one | CHE...) Show SMILES CCN(CC)CCCCn1c2ccccc2c(=O)c2ccccc12 Show InChI InChI=1S/C21H26N2O/c1-3-22(4-2)15-9-10-16-23-19-13-7-5-11-17(19)21(24)18-12-6-8-14-20(18)23/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50249759 (10-(2-(diethylamino)ethyl)acridin-9(10H)-one | CHE...) Show SMILES CCN(CC)CCn1c2ccccc2c(=O)c2ccccc12 Show InChI InChI=1S/C19H22N2O/c1-3-20(4-2)13-14-21-17-11-7-5-9-15(17)19(22)16-10-6-8-12-18(16)21/h5-12H,3-4,13-14H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50249780 (10-(3-(diethylamino)propyl)acridin-9(10H)-one | CH...) Show SMILES CCN(CC)CCCn1c2ccccc2c(=O)c2ccccc12 Show InChI InChI=1S/C20H24N2O/c1-3-21(4-2)14-9-15-22-18-12-7-5-10-16(18)20(23)17-11-6-8-13-19(17)22/h5-8,10-13H,3-4,9,14-15H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells				Antimicrob Agents Chemother 51: 4133-40 (2007) Article DOI: 10.1128/AAC.00669-07 BindingDB Entry DOI: 10.7270/Q2FT8MZZ
					More data for this Ligand-Target Pair