Compile Data Set for Download or QSAR

Found 947 hits with Last Name = 'ditta' and Initial = 'jl'   

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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173715 ((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...) Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(cc12)C#N Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173715 ((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...) Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(cc12)C#N Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173710 (3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1H-i...) Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2c(cccc12)C#N Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-13(11)14-8-17-15-10(7-16)4-3-5-12(14)15/h3-5,8,11,13,17H,6,9H2,1-2H3/t11-,13+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM30130 (CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...) Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50152162 (CHEMBL188844 | CHEMBL2165204 | [3-(6-Dimethylamino...) Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(nc1)N(C)C Show InChI InChI=1S/C21H30N6/c1-7-11-26(12-8-2)19-13-15(3)23-21-20(16(4)24-27(19)21)17-9-10-18(22-14-17)25(5)6/h9-10,13-14H,7-8,11-12H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Binding affinity to CRFR1 by autoradiography				Bioorg Med Chem Lett 22: 6651-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.112 BindingDB Entry DOI: 10.7270/Q20C4WWB
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM86192 (CAS_197801-88-0 | CHEMBL2165203 | SN003) Show SMILES CCC(COC)n1nnc2c(Nc3ccc(OC)cc3C)nc(C)cc12 Show InChI InChI=1S/C19H25N5O2/c1-6-14(11-25-4)24-17-10-13(3)20-19(18(17)22-23-24)21-16-8-7-15(26-5)9-12(16)2/h7-10,14H,6,11H2,1-5H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Binding affinity to CRFR1 by autoradiography				Bioorg Med Chem Lett 22: 6651-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.112 BindingDB Entry DOI: 10.7270/Q20C4WWB
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50395823 (CHEMBL2165205) Show SMILES COCCN(CCOC)Cc1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(25.82,-9.73,;27.14,-10.52,;27.12,-12.06,;25.77,-12.81,;25.76,-14.34,;27.09,-15.12,;28.43,-14.35,;29.76,-15.12,;31.1,-14.36,;24.43,-15.12,;24.44,-16.66,;23.11,-17.43,;23.11,-18.97,;21.78,-19.74,;24.44,-19.74,;25.78,-18.97,;27.25,-19.46,;28.17,-18.2,;29.7,-18.19,;27.25,-16.94,;25.78,-17.42,;27.99,-20.8,;27.19,-22.11,;27.92,-23.47,;29.46,-23.5,;30.21,-24.85,;30.26,-22.17,;29.52,-20.83,;30.32,-19.51,)| Show InChI InChI=1S/C21H26Cl2N4O2/c1-14-11-17(13-26(7-9-28-3)8-10-29-4)27-21(24-14)20(15(2)25-27)18-6-5-16(22)12-19(18)23/h5-6,11-12H,7-10,13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Binding affinity to CRFR1 by autoradiography				Bioorg Med Chem Lett 22: 6651-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.112 BindingDB Entry DOI: 10.7270/Q20C4WWB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173712 (3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1-et...) Show SMILES CCn1cc([C@H]2C[C@@H]2CN(C)C)c2cc(ccc12)C#N Show InChI InChI=1S/C17H21N3/c1-4-20-11-16(14-8-13(14)10-19(2)3)15-7-12(9-18)5-6-17(15)20/h5-7,11,13-14H,4,8,10H2,1-3H3/t13-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50150408 (CHEMBL182937 | N-[2-(4-Fluoro-phenoxy)-ethyl]-N''-...) Show SMILES C[C@H](Nc1nc(N)nc(NCCOc2ccc(F)cc2)n1)c1ccc(F)cc1 Show InChI InChI=1S/C19H20F2N6O/c1-12(13-2-4-14(20)5-3-13)24-19-26-17(22)25-18(27-19)23-10-11-28-16-8-6-15(21)7-9-16/h2-9,12H,10-11H2,1H3,(H4,22,23,24,25,26,27)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 7 receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50150407 (CHEMBL180086 | N-[1-(4-Fluoro-phenyl)-ethyl]-N''-(...) Show SMILES CC(Nc1nc(N)nc(NCCc2cccs2)n1)c1ccc(F)cc1 Show InChI InChI=1S/C17H19FN6S/c1-11(12-4-6-13(18)7-5-12)21-17-23-15(19)22-16(24-17)20-9-8-14-3-2-10-25-14/h2-7,10-11H,8-9H2,1H3,(H4,19,20,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 7 receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50395822 (CHEMBL1762817) Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Br)cc1Cl |(-.62,5.04,;-1.96,5.81,;-3.29,5.03,;-4.63,5.8,;-5.96,5.03,;-7.29,5.79,;-8.63,5.02,;-9.96,5.78,;-11.29,5.01,;-5.95,3.49,;-7.28,2.71,;-7.28,1.17,;-8.62,.4,;-5.95,.4,;-4.62,1.17,;-3.14,.69,;-2.23,1.95,;-.69,1.95,;-3.14,3.2,;-4.62,2.72,;-2.34,-.61,;-3.16,-1.92,;-2.44,-3.28,;-.9,-3.34,;-.17,-4.69,;-.08,-2.02,;-.8,-.67,;.01,.64,)| Show InChI InChI=1S/C19H23BrClN5O2/c1-12-17(15-6-5-14(20)11-16(15)21)18-22-13(2)23-19(26(18)24-12)25(7-9-27-3)8-10-28-4/h5-6,11H,7-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to CRF1 receptor (unknown origin)				Bioorg Med Chem Lett 23: 2052-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.009 BindingDB Entry DOI: 10.7270/Q2DR2WW3
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50395822 (CHEMBL1762817) Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Br)cc1Cl |(-.62,5.04,;-1.96,5.81,;-3.29,5.03,;-4.63,5.8,;-5.96,5.03,;-7.29,5.79,;-8.63,5.02,;-9.96,5.78,;-11.29,5.01,;-5.95,3.49,;-7.28,2.71,;-7.28,1.17,;-8.62,.4,;-5.95,.4,;-4.62,1.17,;-3.14,.69,;-2.23,1.95,;-.69,1.95,;-3.14,3.2,;-4.62,2.72,;-2.34,-.61,;-3.16,-1.92,;-2.44,-3.28,;-.9,-3.34,;-.17,-4.69,;-.08,-2.02,;-.8,-.67,;.01,.64,)| Show InChI InChI=1S/C19H23BrClN5O2/c1-12-17(15-6-5-14(20)11-16(15)21)18-22-13(2)23-19(26(18)24-12)25(7-9-27-3)8-10-28-4/h5-6,11H,7-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Binding affinity to CRFR1 by autoradiography				Bioorg Med Chem Lett 22: 6651-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.112 BindingDB Entry DOI: 10.7270/Q20C4WWB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50162700 (3-(3-(dimethylamino)propyl)-1H-indole-5-carbonitri...) Show SMILES CN(C)CCCc1c[nH]c2ccc(cc12)C#N Show InChI InChI=1S/C14H17N3/c1-17(2)7-3-4-12-10-16-14-6-5-11(9-15)8-13(12)14/h5-6,8,10,16H,3-4,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50150413 (CHEMBL413049 | N-[2-(4-Fluoro-phenyl)-ethyl]-N''-[...) Show SMILES C[C@H](Nc1nc(N)nc(NCCc2ccc(F)cc2)n1)c1ccc(F)cc1 Show InChI InChI=1S/C19H20F2N6/c1-12(14-4-8-16(21)9-5-14)24-19-26-17(22)25-18(27-19)23-11-10-13-2-6-15(20)7-3-13/h2-9,12H,10-11H2,1H3,(H4,22,23,24,25,26,27)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 7 receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173717 (((1S,2S)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl)-N,...) Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C14H17FN2/c1-17(2)8-9-5-11(9)13-7-16-14-4-3-10(15)6-12(13)14/h3-4,6-7,9,11,16H,5,8H2,1-2H3/t9-,11+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173717 (((1S,2S)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl)-N,...) Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C14H17FN2/c1-17(2)8-9-5-11(9)13-7-16-14-4-3-10(15)6-12(13)14/h3-4,6-7,9,11,16H,5,8H2,1-2H3/t9-,11+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50150412 (CHEMBL183862 | N-(2-Phenoxy-ethyl)-N''-((S)-1-phen...) Show SMILES C[C@H](Nc1ncnc(NCCOc2ccccc2)n1)c1ccccc1 Show InChI InChI=1S/C19H21N5O/c1-15(16-8-4-2-5-9-16)23-19-22-14-21-18(24-19)20-12-13-25-17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3,(H2,20,21,22,23,24)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 7 receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50150410 (CHEMBL182174 | N-(2-Phenoxy-ethyl)-N''-((S)-1-phen...) Show SMILES C[C@H](Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1 Show InChI InChI=1S/C19H22N6O/c1-14(15-8-4-2-5-9-15)22-19-24-17(20)23-18(25-19)21-12-13-26-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H4,20,21,22,23,24,25)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 7 receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50162708 (3-(5-fluoro-1H-indol-3-yl)-N,N-dimethylpropan-1-am...) Show SMILES CN(C)CCCc1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C13H17FN2/c1-16(2)7-3-4-10-9-15-13-6-5-11(14)8-12(10)13/h5-6,8-9,15H,3-4,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50150417 (CHEMBL182322 | N-[2-(4-Fluoro-phenoxy)-ethyl]-N''-...) Show SMILES CC(Nc1nc(N)nc(NCCOc2ccc(F)cc2)n1)c1ccc(F)cc1 Show InChI InChI=1S/C19H20F2N6O/c1-12(13-2-4-14(20)5-3-13)24-19-26-17(22)25-18(27-19)23-10-11-28-16-8-6-15(21)7-9-16/h2-9,12H,10-11H2,1H3,(H4,22,23,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 7 receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173706 (3-((1R,2S)-2-Dimethylaminomethyl-cyclopropyl)-1H-i...) Show SMILES CN(C)C[C@H]1C[C@H]1c1c[nH]c2ccc(cc12)C#N Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173713 (3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1-me...) Show SMILES CN(C)C[C@H]1C[C@@H]1c1cn(C)c2ccc(cc12)C#N Show InChI InChI=1S/C16H19N3/c1-18(2)9-12-7-13(12)15-10-19(3)16-5-4-11(8-17)6-14(15)16/h4-6,10,12-13H,7,9H2,1-3H3/t12-,13+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173709 (3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1H-i...) Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2cc(ccc12)C#N Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-13(11)14-8-17-15-5-10(7-16)3-4-12(14)15/h3-5,8,11,13,17H,6,9H2,1-2H3/t11-,13+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50150405 (CHEMBL182797 | N-(2-Phenoxy-ethyl)-N''-(1-phenyl-e...) Show SMILES CC(Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1 Show InChI InChI=1S/C19H22N6O/c1-14(15-8-4-2-5-9-15)22-19-24-17(20)23-18(25-19)21-12-13-26-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H4,20,21,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 7 receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50150421 (CHEMBL183462 | N-[1-(4-Fluoro-phenyl)-ethyl]-N''-p...) Show SMILES CC(Nc1nc(N)nc(NCCc2ccccc2)n1)c1ccc(F)cc1 Show InChI InChI=1S/C19H21FN6/c1-13(15-7-9-16(20)10-8-15)23-19-25-17(21)24-18(26-19)22-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H4,21,22,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 7 receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173705 ((-)3-((1R,2R)-2-Dimethylaminomethyl-cyclopropyl)-1...) Show SMILES CN(C)C[C@@H]1C[C@H]1c1c[nH]c2ccc(cc12)C#N Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50150406 (CHEMBL182418 | N-[(S)-1-(4-Fluoro-phenyl)-ethyl]-N...) Show SMILES C[C@H](Nc1nc(N)nc(NCCc2ccccn2)n1)c1ccc(F)cc1 Show InChI InChI=1S/C18H20FN7/c1-12(13-5-7-14(19)8-6-13)23-18-25-16(20)24-17(26-18)22-11-9-15-4-2-3-10-21-15/h2-8,10,12H,9,11H2,1H3,(H4,20,22,23,24,25,26)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 7 receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50150420 (6-Fluoro-N-(2-phenoxy-ethyl)-N''-((S)-1-phenyl-eth...) Show SMILES C[C@H](Nc1nc(F)nc(NCCOc2ccccc2)n1)c1ccccc1 Show InChI InChI=1S/C19H20FN5O/c1-14(15-8-4-2-5-9-15)22-19-24-17(20)23-18(25-19)21-12-13-26-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H2,21,22,23,24,25)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 7 receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173714 (CHEMBL364050 | [(1S,2S)-2-(7-Fluoro-1H-indol-3-yl)...) Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2c(F)cccc12 Show InChI InChI=1S/C14H17FN2/c1-17(2)8-9-6-11(9)12-7-16-14-10(12)4-3-5-13(14)15/h3-5,7,9,11,16H,6,8H2,1-2H3/t9-,11+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50150407 (CHEMBL180086 | N-[1-(4-Fluoro-phenyl)-ethyl]-N''-(...) Show SMILES CC(Nc1nc(N)nc(NCCc2cccs2)n1)c1ccc(F)cc1 Show InChI InChI=1S/C17H19FN6S/c1-11(12-4-6-13(18)7-5-12)21-17-23-15(19)22-16(24-17)20-9-8-14-3-2-10-25-14/h2-7,10-11H,8-9H2,1H3,(H4,19,20,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 2C receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173711 ((+)3-((1S,2R)-2-Dimethylaminomethyl-cyclopropyl)-1...) Show SMILES CN(C)C[C@@H]1C[C@@H]1c1c[nH]c2ccc(cc12)C#N Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50150413 (CHEMBL413049 | N-[2-(4-Fluoro-phenyl)-ethyl]-N''-[...) Show SMILES C[C@H](Nc1nc(N)nc(NCCc2ccc(F)cc2)n1)c1ccc(F)cc1 Show InChI InChI=1S/C19H20F2N6/c1-12(14-4-8-16(21)9-5-14)24-19-26-17(22)25-18(27-19)23-11-10-13-2-6-15(20)7-3-13/h2-9,12H,10-11H2,1H3,(H4,22,23,24,25,26,27)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 2C receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50150414 (CHEMBL182840 | N,N-Dimethyl-N''-(2-phenoxy-ethyl)-...) Show SMILES C[C@H](Nc1nc(NCCOc2ccccc2)nc(n1)N(C)C)c1ccccc1 Show InChI InChI=1S/C21H26N6O/c1-16(17-10-6-4-7-11-17)23-20-24-19(25-21(26-20)27(2)3)22-14-15-28-18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3,(H2,22,23,24,25,26)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 7 receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173703 ((-)[(1R,2S)-2-(5-Fluoro-1H-indol-3-yl)-cyclopropyl...) Show SMILES CN(C)C[C@@H]1C[C@@H]1c1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C14H17FN2/c1-17(2)8-9-5-11(9)13-7-16-14-4-3-10(15)6-12(13)14/h3-4,6-7,9,11,16H,5,8H2,1-2H3/t9-,11-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173703 ((-)[(1R,2S)-2-(5-Fluoro-1H-indol-3-yl)-cyclopropyl...) Show SMILES CN(C)C[C@@H]1C[C@@H]1c1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C14H17FN2/c1-17(2)8-9-5-11(9)13-7-16-14-4-3-10(15)6-12(13)14/h3-4,6-7,9,11,16H,5,8H2,1-2H3/t9-,11-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50086427 ((S)-1-(4,4-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...) Show SMILES [#6]C([#6])([#6])[#6]-[#6](=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#8]-[#6](-[#6]-[#6]-[#6]-c1ccccc1)-[#6]-[#6]-[#7]-[#6](=S)-[#7]=[#6]-1-[#6]=[#6]\[#6](-[#6](=[#6]-1)-[#6](-[#8])=O)=[#6]-1\c2ccc(-[#8])cc2-[#8]-c2cc(-[#8])ccc-12 |w:33.34,c:37,40| Show InChI InChI=1S/C46H49N3O9S/c1-46(2,3)27-38(52)42(53)49-23-8-7-14-37(49)44(56)57-32(13-9-12-28-10-5-4-6-11-28)21-22-47-45(59)48-29-15-18-33(36(24-29)43(54)55)41-34-19-16-30(50)25-39(34)58-40-26-31(51)17-20-35(40)41/h4-6,10-11,15-20,24-26,32,37,50-51H,7-9,12-14,21-23,27H2,1-3H3,(H,47,59)(H,54,55)/t32?,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity of compound for FK506 binding protein 12				Bioorg Med Chem Lett 10: 559-62 (2000) BindingDB Entry DOI: 10.7270/Q22Z14RS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50150411 (CHEMBL180946 | N-[2-(4-Fluoro-phenoxy)-ethyl]-N''-...) Show SMILES C[C@@H](Nc1nc(N)nc(NCCOc2ccc(F)cc2)n1)c1ccc(F)cc1 Show InChI InChI=1S/C19H20F2N6O/c1-12(13-2-4-14(20)5-3-13)24-19-26-17(22)25-18(27-19)23-10-11-28-16-8-6-15(21)7-9-16/h2-9,12H,10-11H2,1H3,(H4,22,23,24,25,26,27)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 7 receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173701 (CHEMBL194960 | [(1S,2S)-2-(6-Fluoro-1H-indol-3-yl)...) Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2cc(F)ccc12 Show InChI InChI=1S/C14H17FN2/c1-17(2)8-9-5-12(9)13-7-16-14-6-10(15)3-4-11(13)14/h3-4,6-7,9,12,16H,5,8H2,1-2H3/t9-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173704 ((-)[(1R,2R)-2-(5-Fluoro-1H-indol-3-yl)-cyclopropyl...) Show SMILES CN(C)C[C@@H]1C[C@H]1c1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C14H17FN2/c1-17(2)8-9-5-11(9)13-7-16-14-4-3-10(15)6-12(13)14/h3-4,6-7,9,11,16H,5,8H2,1-2H3/t9-,11+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50150409 (6-Methyl-N-(2-phenoxy-ethyl)-N''-((S)-1-phenyl-eth...) Show SMILES C[C@H](Nc1nc(C)nc(NCCOc2ccccc2)n1)c1ccccc1 Show InChI InChI=1S/C20H23N5O/c1-15(17-9-5-3-6-10-17)22-20-24-16(2)23-19(25-20)21-13-14-26-18-11-7-4-8-12-18/h3-12,15H,13-14H2,1-2H3,(H2,21,22,23,24,25)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 7 receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173716 (CHEMBL194909 | [(1S,2S)-2-(4-Fluoro-1H-indol-3-yl)...) Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2cccc(F)c12 Show InChI InChI=1S/C14H17FN2/c1-17(2)8-9-6-10(9)11-7-16-13-5-3-4-12(15)14(11)13/h3-5,7,9-10,16H,6,8H2,1-2H3/t9-,10+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50150416 (CHEMBL182121 | N-(1-Phenyl-ethyl)-N''-(3-phenyl-pr...) Show SMILES CC(Nc1nc(N)nc(NCCCc2ccccc2)n1)c1ccccc1 Show InChI InChI=1S/C20H24N6/c1-15(17-12-6-3-7-13-17)23-20-25-18(21)24-19(26-20)22-14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13,15H,8,11,14H2,1H3,(H4,21,22,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 7 receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline 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	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	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human norepinephrine transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173707 ((+)[(1S,2R)-2-(5-Fluoro-1H-indol-3-yl)-cyclopropyl...) Show SMILES CN(C)C[C@H]1C[C@H]1c1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C14H17FN2/c1-17(2)8-9-5-11(9)13-7-16-14-4-3-10(15)6-12(13)14/h3-4,6-7,9,11,16H,5,8H2,1-2H3/t9-,11-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50150406 (CHEMBL182418 | N-[(S)-1-(4-Fluoro-phenyl)-ethyl]-N...) Show SMILES C[C@H](Nc1nc(N)nc(NCCc2ccccn2)n1)c1ccc(F)cc1 Show InChI InChI=1S/C18H20FN7/c1-12(13-5-7-14(19)8-6-13)23-18-25-16(20)24-17(26-18)22-11-9-15-4-2-3-10-21-15/h2-8,10,12H,9,11H2,1H3,(H4,20,22,23,24,25,26)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 2C receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50150413 (CHEMBL413049 | N-[2-(4-Fluoro-phenyl)-ethyl]-N''-[...) Show SMILES C[C@H](Nc1nc(N)nc(NCCc2ccc(F)cc2)n1)c1ccc(F)cc1 Show InChI InChI=1S/C19H20F2N6/c1-12(14-4-8-16(21)9-5-14)24-19-26-17(22)25-18(27-19)23-11-10-13-2-6-15(20)7-3-13/h2-9,12H,10-11H2,1H3,(H4,22,23,24,25,26,27)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	172	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 6 receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173702 (3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1H-i...) Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2cccc(C#N)c12 Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)13-8-17-14-5-3-4-10(7-16)15(13)14/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50173702 (3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1H-i...) Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2cccc(C#N)c12 Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)13-8-17-14-5-3-4-10(7-16)15(13)14/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding inhibition towards human serotonin transporter				J Med Chem 48: 6023-34 (2005) Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50150407 (CHEMBL180086 | N-[1-(4-Fluoro-phenyl)-ethyl]-N''-(...) Show SMILES CC(Nc1nc(N)nc(NCCc2cccs2)n1)c1ccc(F)cc1 Show InChI InChI=1S/C17H19FN6S/c1-11(12-4-6-13(18)7-5-12)21-17-23-15(19)22-16(24-17)20-9-8-14-3-2-10-25-14/h2-7,10-11H,8-9H2,1H3,(H4,19,20,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 6 receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair

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