Compile Data Set for Download or QSAR

Found 51 hits Enz. Inhib. hit(s) with all data for entry = 50042859   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-P receptor (Homo sapiens (Human))	BDBM50067969 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-1-meth...) Show SMILES CN1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 Show InChI InChI=1S/C22H23F6NO/c1-29-9-7-20(8-10-29,17-5-3-2-4-6-17)15-30-14-16-11-18(21(23,24)25)13-19(12-16)22(26,27)28/h2-6,11-13H,7-10,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50034271 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phen...) Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H21F6NO/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-29-14-19(6-8-28-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,28H,6-9,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50034271 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phen...) Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H21F6NO/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-29-14-19(6-8-28-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,28H,6-9,13-14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50432289 (CHEMBL2347696) Show SMILES FC(F)(F)c1cc(COCC2(CCCNCCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C23H25F6NO/c24-22(25,26)19-12-17(13-20(14-19)23(27,28)29)15-31-16-21(18-6-2-1-3-7-18)8-4-10-30-11-5-9-21/h1-3,6-7,12-14,30H,4-5,8-11,15-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50432301 (CHEMBL2347852) Show SMILES FC(F)(F)c1cc(COC[C@@]2(CCCNCC2)c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H23F6NO/c23-21(24,25)18-11-16(12-19(13-18)22(26,27)28)14-30-15-20(7-4-9-29-10-8-20)17-5-2-1-3-6-17/h1-3,5-6,11-13,29H,4,7-10,14-15H2/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50432299 (CHEMBL2347854) Show SMILES CN1CCC[C@@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 |r| Show InChI InChI=1S/C23H25F6NO/c1-30-10-5-8-21(9-11-30,18-6-3-2-4-7-18)16-31-15-17-12-19(22(24,25)26)14-20(13-17)23(27,28)29/h2-4,6-7,12-14H,5,8-11,15-16H2,1H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50432300 (CHEMBL2347853) Show SMILES FC(F)(F)c1cc(COC[C@]2(CCCNCC2)c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H23F6NO/c23-21(24,25)18-11-16(12-19(13-18)22(26,27)28)14-30-15-20(7-4-9-29-10-8-20)17-5-2-1-3-6-17/h1-3,5-6,11-13,29H,4,7-10,14-15H2/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50432301 (CHEMBL2347852) Show SMILES FC(F)(F)c1cc(COC[C@@]2(CCCNCC2)c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H23F6NO/c23-21(24,25)18-11-16(12-19(13-18)22(26,27)28)14-30-15-20(7-4-9-29-10-8-20)17-5-2-1-3-6-17/h1-3,5-6,11-13,29H,4,7-10,14-15H2/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50432288 (CHEMBL2347697) Show SMILES FC(F)(F)c1cc(COCC2(CCCCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C23H25F6NO/c24-22(25,26)19-12-17(13-20(14-19)23(27,28)29)15-31-16-21(18-6-2-1-3-7-18)8-4-5-10-30-11-9-21/h1-3,6-7,12-14,30H,4-5,8-11,15-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50432298 (CHEMBL2347855) Show SMILES CN1CCC[C@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 |r| Show InChI InChI=1S/C23H25F6NO/c1-30-10-5-8-21(9-11-30,18-6-3-2-4-7-18)16-31-15-17-12-19(22(24,25)26)14-20(13-17)23(27,28)29/h2-4,6-7,12-14H,5,8-11,15-16H2,1H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50432296 (CHEMBL2347857) Show SMILES CCN1CCC[C@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 |r| Show InChI InChI=1S/C24H27F6NO/c1-2-31-11-6-9-22(10-12-31,19-7-4-3-5-8-19)17-32-16-18-13-20(23(25,26)27)15-21(14-18)24(28,29)30/h3-5,7-8,13-15H,2,6,9-12,16-17H2,1H3/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50067969 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-1-meth...) Show SMILES CN1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 Show InChI InChI=1S/C22H23F6NO/c1-29-9-7-20(8-10-29,17-5-3-2-4-6-17)15-30-14-16-11-18(21(23,24)25)13-19(12-16)22(26,27)28/h2-6,11-13H,7-10,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50432293 (CHEMBL2347692) Show SMILES FC(F)(F)c1cc(COC[C@@]2(CCCCNC2)c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H23F6NO/c23-21(24,25)18-10-16(11-19(12-18)22(26,27)28)13-30-15-20(8-4-5-9-29-14-20)17-6-2-1-3-7-17/h1-3,6-7,10-12,29H,4-5,8-9,13-15H2/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50408465 (CHEMBL120546) Show SMILES FC(F)(F)c1cc(COCC2(CCCNC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H21F6NO/c22-20(23,24)17-9-15(10-18(11-17)21(25,26)27)12-29-14-19(7-4-8-28-13-19)16-5-2-1-3-6-16/h1-3,5-6,9-11,28H,4,7-8,12-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50408465 (CHEMBL120546) Show SMILES FC(F)(F)c1cc(COCC2(CCCNC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H21F6NO/c22-20(23,24)17-9-15(10-18(11-17)21(25,26)27)12-29-14-19(7-4-8-28-13-19)16-5-2-1-3-6-16/h1-3,5-6,9-11,28H,4,7-8,12-14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50432300 (CHEMBL2347853) Show SMILES FC(F)(F)c1cc(COC[C@]2(CCCNCC2)c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H23F6NO/c23-21(24,25)18-11-16(12-19(13-18)22(26,27)28)14-30-15-20(7-4-9-29-10-8-20)17-5-2-1-3-6-17/h1-3,5-6,11-13,29H,4,7-10,14-15H2/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50432295 (CHEMBL2347690) Show SMILES FC(F)(F)c1cc(COC[C@@]2(CCCN(Cc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F6NO/c30-28(31,32)25-16-23(17-26(18-25)29(33,34)35)20-37-21-27(24-10-5-2-6-11-24)12-7-14-36(15-13-27)19-22-8-3-1-4-9-22/h1-6,8-11,16-18H,7,12-15,19-21H2/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50432299 (CHEMBL2347854) Show SMILES CN1CCC[C@@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 |r| Show InChI InChI=1S/C23H25F6NO/c1-30-10-5-8-21(9-11-30,18-6-3-2-4-7-18)16-31-15-17-12-19(22(24,25)26)14-20(13-17)23(27,28)29/h2-4,6-7,12-14H,5,8-11,15-16H2,1H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50432297 (CHEMBL2347856) Show SMILES CCN1CCC[C@@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 |r| Show InChI InChI=1S/C24H27F6NO/c1-2-31-11-6-9-22(10-12-31,19-7-4-3-5-8-19)17-32-16-18-13-20(23(25,26)27)15-21(14-18)24(28,29)30/h3-5,7-8,13-15H,2,6,9-12,16-17H2,1H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50432289 (CHEMBL2347696) Show SMILES FC(F)(F)c1cc(COCC2(CCCNCCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C23H25F6NO/c24-22(25,26)19-12-17(13-20(14-19)23(27,28)29)15-31-16-21(18-6-2-1-3-7-18)8-4-10-30-11-5-9-21/h1-3,6-7,12-14,30H,4-5,8-11,15-16H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50432288 (CHEMBL2347697) Show SMILES FC(F)(F)c1cc(COCC2(CCCCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C23H25F6NO/c24-22(25,26)19-12-17(13-20(14-19)23(27,28)29)15-31-16-21(18-6-2-1-3-7-18)8-4-5-10-30-11-9-21/h1-3,6-7,12-14,30H,4-5,8-11,15-16H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50432303 (CHEMBL2347703) Show SMILES FC(F)(F)c1cc(COCC2(CCNC(=O)C2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H19F6NO2/c22-20(23,24)16-8-14(9-17(10-16)21(25,26)27)12-30-13-19(6-7-28-18(29)11-19)15-4-2-1-3-5-15/h1-5,8-10H,6-7,11-13H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50432294 (CHEMBL2347691) Show SMILES FC(F)(F)c1cc(COC[C@]2(CCCN(Cc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F6NO/c30-28(31,32)25-16-23(17-26(18-25)29(33,34)35)20-37-21-27(24-10-5-2-6-11-24)12-7-14-36(15-13-27)19-22-8-3-1-4-9-22/h1-6,8-11,16-18H,7,12-15,19-21H2/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50432295 (CHEMBL2347690) Show SMILES FC(F)(F)c1cc(COC[C@@]2(CCCN(Cc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F6NO/c30-28(31,32)25-16-23(17-26(18-25)29(33,34)35)20-37-21-27(24-10-5-2-6-11-24)12-7-14-36(15-13-27)19-22-8-3-1-4-9-22/h1-6,8-11,16-18H,7,12-15,19-21H2/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50432291 (CHEMBL2347694) Show SMILES CN1CCCC[C@@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(C1)c1ccccc1 |r| Show InChI InChI=1S/C23H25F6NO/c1-30-10-6-5-9-21(15-30,18-7-3-2-4-8-18)16-31-14-17-11-19(22(24,25)26)13-20(12-17)23(27,28)29/h2-4,7-8,11-13H,5-6,9-10,14-16H2,1H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50432293 (CHEMBL2347692) Show SMILES FC(F)(F)c1cc(COC[C@@]2(CCCCNC2)c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H23F6NO/c23-21(24,25)18-10-16(11-19(12-18)22(26,27)28)13-30-15-20(8-4-5-9-29-14-20)17-6-2-1-3-7-17/h1-3,6-7,10-12,29H,4-5,8-9,13-15H2/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50432298 (CHEMBL2347855) Show SMILES CN1CCC[C@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 |r| Show InChI InChI=1S/C23H25F6NO/c1-30-10-5-8-21(9-11-30,18-6-3-2-4-7-18)16-31-15-17-12-19(22(24,25)26)14-20(13-17)23(27,28)29/h2-4,6-7,12-14H,5,8-11,15-16H2,1H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50432297 (CHEMBL2347856) Show SMILES CCN1CCC[C@@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 |r| Show InChI InChI=1S/C24H27F6NO/c1-2-31-11-6-9-22(10-12-31,19-7-4-3-5-8-19)17-32-16-18-13-20(23(25,26)27)15-21(14-18)24(28,29)30/h3-5,7-8,13-15H,2,6,9-12,16-17H2,1H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50432304 (CHEMBL2347702) Show SMILES CC(C)(C)OC(=O)N1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 Show InChI InChI=1S/C26H29F6NO3/c1-23(2,3)36-22(34)33-11-9-24(10-12-33,19-7-5-4-6-8-19)17-35-16-18-13-20(25(27,28)29)15-21(14-18)26(30,31)32/h4-8,13-15H,9-12,16-17H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50432292 (CHEMBL2347693) Show SMILES FC(F)(F)c1cc(COC[C@]2(CCCCNC2)c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H23F6NO/c23-21(24,25)18-10-16(11-19(12-18)22(26,27)28)13-30-15-20(8-4-5-9-29-14-20)17-6-2-1-3-7-17/h1-3,6-7,10-12,29H,4-5,8-9,13-15H2/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50432292 (CHEMBL2347693) Show SMILES FC(F)(F)c1cc(COC[C@]2(CCCCNC2)c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H23F6NO/c23-21(24,25)18-10-16(11-19(12-18)22(26,27)28)13-30-15-20(8-4-5-9-29-14-20)17-6-2-1-3-7-17/h1-3,6-7,10-12,29H,4-5,8-9,13-15H2/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50432294 (CHEMBL2347691) Show SMILES FC(F)(F)c1cc(COC[C@]2(CCCN(Cc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F6NO/c30-28(31,32)25-16-23(17-26(18-25)29(33,34)35)20-37-21-27(24-10-5-2-6-11-24)12-7-14-36(15-13-27)19-22-8-3-1-4-9-22/h1-6,8-11,16-18H,7,12-15,19-21H2/t27-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50432290 (CHEMBL2347695) Show SMILES CN1CCCC[C@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(C1)c1ccccc1 |r| Show InChI InChI=1S/C23H25F6NO/c1-30-10-6-5-9-21(15-30,18-7-3-2-4-8-18)16-31-14-17-11-19(22(24,25)26)13-20(12-17)23(27,28)29/h2-4,7-8,11-13H,5-6,9-10,14-16H2,1H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50432290 (CHEMBL2347695) Show SMILES CN1CCCC[C@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(C1)c1ccccc1 |r| Show InChI InChI=1S/C23H25F6NO/c1-30-10-6-5-9-21(15-30,18-7-3-2-4-8-18)16-31-14-17-11-19(22(24,25)26)13-20(12-17)23(27,28)29/h2-4,7-8,11-13H,5-6,9-10,14-16H2,1H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50432291 (CHEMBL2347694) Show SMILES CN1CCCC[C@@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(C1)c1ccccc1 |r| Show InChI InChI=1S/C23H25F6NO/c1-30-10-6-5-9-21(15-30,18-7-3-2-4-8-18)16-31-14-17-11-19(22(24,25)26)13-20(12-17)23(27,28)29/h2-4,7-8,11-13H,5-6,9-10,14-16H2,1H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50432303 (CHEMBL2347703) Show SMILES FC(F)(F)c1cc(COCC2(CCNC(=O)C2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H19F6NO2/c22-20(23,24)16-8-14(9-17(10-16)21(25,26)27)12-30-13-19(6-7-28-18(29)11-19)15-4-2-1-3-5-15/h1-5,8-10H,6-7,11-13H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50034271 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phen...) Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H21F6NO/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-29-14-19(6-8-28-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,28H,6-9,13-14H2	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+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of NET (unknown origin)				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50034271 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phen...) Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H21F6NO/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-29-14-19(6-8-28-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,28H,6-9,13-14H2	PDB UniProtKB/SwissProt antibodypedia 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of 5HT1A receptor (unknown origin)				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50432296 (CHEMBL2347857) Show SMILES CCN1CCC[C@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 |r| Show InChI InChI=1S/C24H27F6NO/c1-2-31-11-6-9-22(10-12-31,19-7-4-3-5-8-19)17-32-16-18-13-20(23(25,26)27)15-21(14-18)24(28,29)30/h3-5,7-8,13-15H,2,6,9-12,16-17H2,1H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50034271 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phen...) Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H21F6NO/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-29-14-19(6-8-28-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,28H,6-9,13-14H2	PDB 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+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of 5HT1B receptor (unknown origin)				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50034271 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phen...) Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H21F6NO/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-29-14-19(6-8-28-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,28H,6-9,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of 5HT2A receptor (unknown origin)				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50034271 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phen...) Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H21F6NO/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-29-14-19(6-8-28-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,28H,6-9,13-14H2	PDB 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+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of 5HT2B receptor (unknown origin)				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50034271 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phen...) Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H21F6NO/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-29-14-19(6-8-28-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,28H,6-9,13-14H2	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+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of DAT (unknown origin)				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50034271 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phen...) Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H21F6NO/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-29-14-19(6-8-28-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,28H,6-9,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of NK2 receptor (unknown origin)				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50034271 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phen...) Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H21F6NO/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-29-14-19(6-8-28-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,28H,6-9,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of NK3 receptor (unknown origin)				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50432302 (CHEMBL2347851) Show SMILES FC(F)(F)c1cc(COCC2(CCCCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C22H22F6O/c23-21(24,25)18-11-16(12-19(13-18)22(26,27)28)14-29-15-20(9-5-2-6-10-20)17-7-3-1-4-8-17/h1,3-4,7-8,11-13H,2,5-6,9-10,14-15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50034271 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phen...) Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H21F6NO/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-29-14-19(6-8-28-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,28H,6-9,13-14H2	PDB 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+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of 5HT2C receptor (unknown origin)				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50432304 (CHEMBL2347702) Show SMILES CC(C)(C)OC(=O)N1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 Show InChI InChI=1S/C26H29F6NO3/c1-23(2,3)36-22(34)33-11-9-24(10-12-33,19-7-5-4-6-8-19)17-35-16-18-13-20(25(27,28)29)15-21(14-18)26(30,31)32/h4-8,13-15H,9-12,16-17H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair

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