Compile Data Set for Download or QSAR

Found 169 hits Enz. Inhib. hit(s) with all data for entry = 6488   

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))	BDBM50352717 (CHEMBL1823213 | US8835436, Example 151) Show SMILES Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H35N5O2/c1-19-9-8-12-25(20(19)2)31-15-13-30(14-16-31)18-24(33)17-28-27(34)26-21(3)32(22(4)29-26)23-10-6-5-7-11-23/h5-12,24,33H,13-18H2,1-4H3,(H,28,34)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.640	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352719 (CHEMBL1823215 | US8835436, Example 152) Show SMILES Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F |r,wD:8.8,(16.59,-9.13,;17.37,-7.8,;18.91,-7.8,;19.39,-6.34,;20.72,-5.57,;20.72,-4.03,;22.05,-6.34,;23.39,-5.57,;24.72,-6.34,;24.72,-7.88,;26.06,-5.57,;27.39,-6.33,;28.71,-5.55,;30.04,-6.32,;30.05,-7.86,;28.71,-8.63,;27.37,-7.87,;31.38,-8.62,;32.71,-7.84,;34.05,-8.61,;34.05,-10.15,;32.71,-10.92,;32.71,-12.46,;31.38,-10.16,;30.05,-10.93,;18.14,-5.43,;18.14,-3.89,;16.89,-6.34,;15.56,-5.56,;15.57,-4.03,;14.24,-3.25,;12.89,-4.02,;12.9,-5.57,;14.23,-6.34,;14.24,-7.88,)| Show InChI InChI=1S/C27H34FN5O2/c1-18-8-7-11-24(19(18)2)32-14-12-31(13-15-32)17-22(34)16-29-27(35)26-20(3)33(21(4)30-26)25-10-6-5-9-23(25)28/h5-11,22,34H,12-17H2,1-4H3,(H,29,35)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.75	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM131905 (US8835436, Example 148) Show SMILES Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(C)cc1 Show InChI InChI=1S/C28H37N5O2/c1-19-9-11-24(12-10-19)33-22(4)27(30-23(33)5)28(35)29-17-25(34)18-31-13-15-32(16-14-31)26-8-6-7-20(2)21(26)3/h6-12,25,34H,13-18H2,1-5H3,(H,29,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.89	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352718 (CHEMBL1823214 | US8835436, Example 139) Show SMILES Cc1nc(C(=O)NC[C@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H35N5O2/c1-19-9-8-12-25(20(19)2)31-15-13-30(14-16-31)18-24(33)17-28-27(34)26-21(3)32(22(4)29-26)23-10-6-5-7-11-23/h5-12,24,33H,13-18H2,1-4H3,(H,28,34)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.08	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50352749 (CHEMBL1822905 | US8835436, Example 143) Show SMILES CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc(OC)cc1 Show InChI InChI=1S/C28H35Cl2N5O2/c1-4-7-25-32-27(20(2)35(25)21-10-12-22(37-3)13-11-21)28(36)31-14-6-15-33-16-18-34(19-17-33)24-9-5-8-23(29)26(24)30/h5,8-13H,4,6-7,14-19H2,1-3H3,(H,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.17	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM131904 (US8835436, Example 147) Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(C)cc1 Show InChI InChI=1S/C28H37N5O/c1-20-10-12-25(13-11-20)33-23(4)27(30-24(33)5)28(34)29-14-7-15-31-16-18-32(19-17-31)26-9-6-8-21(2)22(26)3/h6,8-13H,7,14-19H2,1-5H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.95	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352701 (CHEMBL1823189 | US8835436, Example 137) Show SMILES CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(OC)cc1 Show InChI InChI=1S/C30H41N5O3/c1-6-8-28-32-29(23(4)35(28)24-11-13-26(38-5)14-12-24)30(37)31-19-25(36)20-33-15-17-34(18-16-33)27-10-7-9-21(2)22(27)3/h7,9-14,25,36H,6,8,15-20H2,1-5H3,(H,31,37)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352665 (CHEMBL1823079 | US8835436, Example 153) Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccccc1F |(13.53,.69,;14.3,2.02,;15.84,2.02,;16.32,3.49,;17.66,4.26,;17.66,5.8,;18.99,3.49,;20.32,4.26,;21.66,3.49,;22.99,4.26,;24.32,3.49,;25.64,4.27,;26.97,3.51,;26.98,1.96,;25.65,1.19,;24.31,1.96,;28.32,1.2,;29.65,1.98,;30.98,1.22,;30.99,-.33,;29.65,-1.1,;29.65,-2.64,;28.32,-.33,;26.99,-1.1,;15.07,4.39,;15.07,5.93,;13.83,3.49,;12.5,4.26,;12.5,5.8,;11.17,6.57,;9.83,5.8,;9.84,4.25,;11.17,3.49,;11.17,1.95,)| Show InChI InChI=1S/C26H31ClFN5O/c1-18-21(27)8-6-11-23(18)32-16-14-31(15-17-32)13-7-12-29-26(34)25-19(2)33(20(3)30-25)24-10-5-4-9-22(24)28/h4-6,8-11H,7,12-17H2,1-3H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.17	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50352727 (CHEMBL1822913 | US8835436, Example 150) Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C27H31Cl2N5O3/c1-18-26(31-19(2)34(18)20-7-8-23-24(17-20)37-16-15-36-23)27(35)30-9-4-10-32-11-13-33(14-12-32)22-6-3-5-21(28)25(22)29/h3,5-8,17H,4,9-16H2,1-2H3,(H,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.63	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM131894 (US8835436, Example 109) Show SMILES CCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1 Show InChI InChI=1S/C28H37N5O2/c1-5-26-30-27(22(4)33(26)23-11-7-6-8-12-23)28(35)29-18-24(34)19-31-14-16-32(17-15-31)25-13-9-10-20(2)21(25)3/h6-13,24,34H,5,14-19H2,1-4H3,(H,29,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352756 (CHEMBL1823069 | US8835436, Example 99) Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c1C |(15.99,-4.6,;15.99,-6.14,;14.65,-6.9,;13.32,-6.13,;11.97,-6.9,;11.98,-8.45,;13.32,-9.21,;14.64,-8.44,;15.98,-9.22,;16.45,-10.68,;15.68,-12.01,;17.99,-10.68,;18.47,-9.22,;19.8,-8.45,;19.8,-6.91,;21.14,-9.22,;22.47,-8.45,;23.8,-9.22,;25.14,-8.45,;26.47,-9.21,;27.79,-8.43,;29.12,-9.2,;29.13,-10.74,;27.8,-11.51,;26.45,-10.74,;30.46,-11.5,;31.79,-10.72,;33.13,-11.49,;33.14,-13.03,;31.8,-13.8,;31.8,-15.34,;30.47,-13.03,;29.13,-13.81,;17.22,-8.31,;17.22,-6.77,)| Show InChI InChI=1S/C28H37N5O2/c1-20-10-8-12-24(21(20)2)32-18-16-31(17-19-32)15-9-14-29-28(34)27-22(3)33(23(4)30-27)25-11-6-7-13-26(25)35-5/h6-8,10-13H,9,14-19H2,1-5H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352727 (CHEMBL1822913 | US8835436, Example 150) Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C27H31Cl2N5O3/c1-18-26(31-19(2)34(18)20-7-8-23-24(17-20)37-16-15-36-23)27(35)30-9-4-10-32-11-13-33(14-12-32)22-6-3-5-21(28)25(22)29/h3,5-8,17H,4,9-16H2,1-2H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.17	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50352712 (CHEMBL1823209 | US8835436, Example 149) Show SMILES Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C27H31Cl2N5O4/c1-17-26(31-18(2)34(17)19-6-7-23-24(14-19)38-13-12-37-23)27(36)30-15-20(35)16-32-8-10-33(11-9-32)22-5-3-4-21(28)25(22)29/h3-7,14,20,35H,8-13,15-16H2,1-2H3,(H,30,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.86	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352681 (CHEMBL1823095 | US8835436, Example 105) Show SMILES COc1cc(OC)cc(c1)-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c1C Show InChI InChI=1S/C29H39N5O3/c1-20-9-7-10-27(21(20)2)33-15-13-32(14-16-33)12-8-11-30-29(35)28-22(3)34(23(4)31-28)24-17-25(36-5)19-26(18-24)37-6/h7,9-10,17-19H,8,11-16H2,1-6H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352724 (CHEMBL1822896 | US8835436, Example 6) Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1 Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.2	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352660 (CHEMBL1823074 | US8835436, Example 135) Show SMILES CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc(OC)cc1 Show InChI InChI=1S/C29H38ClN5O2/c1-5-8-27-32-28(22(3)35(27)23-11-13-24(37-4)14-12-23)29(36)31-15-7-16-33-17-19-34(20-18-33)26-10-6-9-25(30)21(26)2/h6,9-14H,5,7-8,15-20H2,1-4H3,(H,31,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.2	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50352746 (CHEMBL1822902 | US8835436, Example 145) Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1C |(17.91,6.36,;17.91,4.82,;16.57,4.06,;15.24,4.83,;13.9,4.06,;13.9,2.51,;15.24,1.75,;16.56,2.52,;17.9,1.74,;18.37,.28,;17.46,-.96,;19.91,.28,;20.39,1.74,;21.72,2.51,;21.72,4.05,;23.06,1.74,;24.39,2.51,;25.73,1.74,;27.06,2.51,;28.39,1.75,;29.71,2.53,;31.04,1.76,;31.05,.22,;29.72,-.55,;28.37,.21,;32.38,-.54,;32.39,-2.08,;33.72,-2.84,;35.06,-2.07,;35.05,-.53,;36.38,.25,;33.71,.24,;33.71,1.78,;19.14,2.65,;19.14,4.19,)| Show InChI InChI=1S/C26H31Cl2N5O2/c1-18-25(30-19(2)33(18)21-9-4-5-11-23(21)35-3)26(34)29-12-7-13-31-14-16-32(17-15-31)22-10-6-8-20(27)24(22)28/h4-6,8-11H,7,12-17H2,1-3H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.3	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352720 (CHEMBL1823216 | US8835436, Example 140) Show SMILES Cc1nc(C(=O)NC[C@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F |r,wU:8.8,(-5.84,-16.71,;-5.06,-15.38,;-3.52,-15.38,;-3.04,-13.92,;-1.71,-13.15,;-1.71,-11.61,;-.38,-13.92,;.96,-13.15,;2.29,-13.92,;2.29,-15.46,;3.62,-13.15,;4.95,-13.92,;6.28,-13.14,;7.61,-13.9,;7.62,-15.44,;6.28,-16.22,;4.94,-15.45,;8.95,-16.21,;10.28,-15.43,;11.62,-16.19,;11.62,-17.73,;10.28,-18.51,;10.28,-20.05,;8.95,-17.74,;7.62,-18.51,;-4.29,-13.01,;-4.3,-11.47,;-5.54,-13.92,;-6.87,-13.15,;-6.86,-11.61,;-8.2,-10.84,;-9.54,-11.6,;-9.53,-13.16,;-8.2,-13.92,;-8.19,-15.46,)| Show InChI InChI=1S/C27H34FN5O2/c1-18-8-7-11-24(19(18)2)32-14-12-31(13-15-32)17-22(34)16-29-27(35)26-20(3)33(21(4)30-26)25-10-6-5-9-23(25)28/h5-11,22,34H,12-17H2,1-4H3,(H,29,35)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.3	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352692 (CHEMBL1823106 | US8835436, Example 96) Show SMILES CCCn1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c1C Show InChI InChI=1S/C24H37N5O2/c1-6-10-29-19(4)23(26-20(29)5)24(31)25-15-21(30)16-27-11-13-28(14-12-27)22-9-7-8-17(2)18(22)3/h7-9,21,30H,6,10-16H2,1-5H3,(H,25,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.4	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM131901 (US8835436, Example 132) Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccn1 Show InChI InChI=1S/C26H34N6O/c1-19-9-7-10-23(20(19)2)31-17-15-30(16-18-31)14-8-13-28-26(33)25-21(3)32(22(4)29-25)24-11-5-6-12-27-24/h5-7,9-12H,8,13-18H2,1-4H3,(H,28,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352712 (CHEMBL1823209 | US8835436, Example 149) Show SMILES Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C27H31Cl2N5O4/c1-17-26(31-18(2)34(17)19-6-7-23-24(14-19)38-13-12-37-23)27(36)30-15-20(35)16-32-8-10-33(11-9-32)22-5-3-4-21(28)25(22)29/h3-7,14,20,35H,8-13,15-16H2,1-2H3,(H,30,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM131892 (US8835436, Example 103) Show SMILES Cc1nc(C(=O)NCCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1Cl |(-7.07,-3.08,;-6.44,-4.49,;-4.93,-4.81,;-4.77,-6.34,;-3.44,-7.11,;-3.44,-8.65,;-2.1,-6.34,;-.77,-7.11,;.56,-6.34,;1.9,-7.11,;3.23,-6.34,;4.56,-7.11,;5.9,-6.34,;7.23,-7.11,;7.23,-8.65,;5.9,-9.42,;4.56,-8.65,;8.57,-9.42,;8.57,-10.96,;9.9,-11.73,;11.23,-10.96,;11.23,-9.42,;12.57,-8.65,;9.9,-8.65,;9.9,-7.11,;-6.18,-6.96,;-6.5,-8.47,;-7.21,-5.82,;-8.74,-5.98,;-9.65,-4.74,;-11.18,-4.9,;-11.8,-6.3,;-10.9,-7.55,;-9.37,-7.39,;-8.46,-8.63,)| Show InChI InChI=1S/C28H36ClN5O/c1-20-10-9-13-25(21(20)2)33-18-16-32(17-19-33)15-8-7-14-30-28(35)27-22(3)34(23(4)31-27)26-12-6-5-11-24(26)29/h5-6,9-13H,7-8,14-19H2,1-4H3,(H,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM131891 (US8835436, Example 100) Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c1C |(-3.59,-10.98,;-4.5,-9.73,;-6.03,-9.89,;-6.66,-11.3,;-8.19,-11.46,;-9.09,-10.22,;-8.47,-8.81,;-6.93,-8.65,;-6.31,-7.24,;-7.08,-5.91,;-8.61,-5.75,;-6.05,-4.76,;-4.64,-5.39,;-3.31,-4.62,;-3.31,-3.08,;-1.97,-5.39,;-.64,-4.62,;.69,-5.39,;.69,-6.93,;2.03,-4.62,;3.36,-5.39,;4.7,-4.62,;6.03,-5.39,;6.03,-6.93,;4.7,-7.7,;3.36,-6.93,;7.36,-7.7,;7.36,-9.24,;8.7,-10.01,;10.03,-9.24,;10.03,-7.7,;11.36,-6.93,;8.7,-6.93,;8.7,-5.39,;-4.8,-6.92,;-3.66,-7.95,)| Show InChI InChI=1S/C28H37N5O3/c1-19-9-8-11-24(20(19)2)32-15-13-31(14-16-32)18-23(34)17-29-28(35)27-21(3)33(22(4)30-27)25-10-6-7-12-26(25)36-5/h6-12,23,34H,13-18H2,1-5H3,(H,29,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50352724 (CHEMBL1822896 | US8835436, Example 6) Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1 Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.1	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM131890 (US8835436, Example 98) Show SMILES CCCn1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c1C Show InChI InChI=1S/C23H34ClN5O2/c1-5-9-29-17(3)22(26-18(29)4)23(31)25-14-19(30)15-27-10-12-28(13-11-27)21-8-6-7-20(24)16(21)2/h6-8,19,30H,5,9-15H2,1-4H3,(H,25,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.1	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352695 (CHEMBL1823183 | US8835436, Example 146) Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)c1C |(16.81,-19.25,;16.8,-20.79,;15.47,-21.56,;14.13,-20.78,;12.79,-21.55,;12.79,-23.1,;14.13,-23.87,;15.46,-23.1,;16.79,-23.87,;17.27,-25.33,;16.49,-26.66,;18.81,-25.33,;19.29,-23.87,;20.62,-23.1,;20.62,-21.56,;21.95,-23.87,;23.29,-23.1,;24.62,-23.87,;24.62,-25.41,;25.95,-23.1,;27.28,-23.86,;28.61,-23.09,;29.94,-23.85,;29.95,-25.39,;28.61,-26.16,;27.27,-25.4,;31.28,-26.15,;32.61,-25.38,;33.95,-26.14,;33.95,-27.68,;32.61,-28.46,;32.61,-30,;31.28,-27.69,;29.95,-28.46,;18.04,-22.96,;18.03,-21.42,)| Show InChI InChI=1S/C26H31Cl2N5O3/c1-17-25(30-18(2)33(17)21-8-4-5-10-23(21)36-3)26(35)29-15-19(34)16-31-11-13-32(14-12-31)22-9-6-7-20(27)24(22)28/h4-10,19,34H,11-16H2,1-3H3,(H,29,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.2	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352658 (CHEMBL1823072 | US8835436, Example 138) Show SMILES COc1ccc(cc1)-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c1C Show InChI InChI=1S/C27H34ClN5O2/c1-19-24(28)7-5-8-25(19)32-17-15-31(16-18-32)14-6-13-29-27(34)26-20(2)33(21(3)30-26)22-9-11-23(35-4)12-10-22/h5,7-12H,6,13-18H2,1-4H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.4	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50352755 (CHEMBL1823068 | US8835436, Example 144) Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c1C |(-6,-2.67,;-6,-4.21,;-7.34,-4.97,;-8.67,-4.2,;-10.01,-4.97,;-10.01,-6.52,;-8.67,-7.28,;-7.34,-6.51,;-6.01,-7.29,;-5.54,-8.75,;-6.31,-10.08,;-4,-8.75,;-3.52,-7.29,;-2.18,-6.52,;-2.18,-4.98,;-.85,-7.29,;.48,-6.52,;1.82,-7.29,;3.15,-6.52,;4.48,-7.28,;5.8,-6.5,;7.13,-7.27,;7.14,-8.81,;5.81,-9.58,;4.47,-8.82,;8.47,-9.57,;9.81,-8.79,;11.14,-9.56,;11.15,-11.1,;9.81,-11.87,;9.81,-13.41,;8.48,-11.11,;7.14,-11.88,;-4.77,-6.38,;-4.77,-4.84,)| Show InChI InChI=1S/C27H34ClN5O2/c1-19-22(28)9-7-11-23(19)32-17-15-31(16-18-32)14-8-13-29-27(34)26-20(2)33(21(3)30-26)24-10-5-6-12-25(24)35-4/h5-7,9-12H,8,13-18H2,1-4H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.8	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352742 (CHEMBL1822898 | US8835436, Example 7) Show SMILES CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1 Show InChI InChI=1S/C27H33Cl2N5O/c1-3-9-24-31-26(20(2)34(24)21-10-5-4-6-11-21)27(35)30-14-8-15-32-16-18-33(19-17-32)23-13-7-12-22(28)25(23)29/h4-7,10-13H,3,8-9,14-19H2,1-2H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352751 (CHEMBL1822907 | US8835436, Example 154) Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1F |(-6.35,-24.32,;-5.44,-23.08,;-3.9,-23.08,;-3.43,-21.61,;-2.09,-20.84,;-2.09,-19.3,;-.76,-21.61,;.58,-20.84,;1.91,-21.61,;3.24,-20.84,;4.57,-21.61,;5.9,-20.83,;7.23,-21.59,;7.23,-23.13,;5.9,-23.91,;4.56,-23.14,;8.57,-23.9,;8.57,-25.43,;9.9,-26.2,;11.24,-25.43,;11.23,-23.88,;12.57,-23.11,;9.9,-23.12,;9.89,-21.58,;-4.67,-20.7,;-4.68,-19.16,;-5.92,-21.61,;-7.25,-20.84,;-8.58,-21.61,;-9.91,-20.85,;-9.91,-19.3,;-8.58,-18.53,;-7.24,-19.3,;-5.91,-18.54,)| Show InChI InChI=1S/C25H28Cl2FN5O/c1-17-24(30-18(2)33(17)21-9-4-3-8-20(21)28)25(34)29-11-6-12-31-13-15-32(16-14-31)22-10-5-7-19(26)23(22)27/h3-5,7-10H,6,11-16H2,1-2H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50352727 (CHEMBL1822913 | US8835436, Example 150) Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C27H31Cl2N5O3/c1-18-26(31-19(2)34(18)20-7-8-23-24(17-20)37-16-15-36-23)27(35)30-9-4-10-32-11-13-33(14-12-32)22-6-3-5-21(28)25(22)29/h3,5-8,17H,4,9-16H2,1-2H3,(H,30,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14.6	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM131893 (US8835436, Example 106) Show SMILES CC(C)c1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1 Show InChI InChI=1S/C29H39N5O2/c1-20(2)28-31-27(23(5)34(28)24-11-7-6-8-12-24)29(36)30-18-25(35)19-32-14-16-33(17-15-32)26-13-9-10-21(3)22(26)4/h6-13,20,25,35H,14-19H2,1-5H3,(H,30,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50352660 (CHEMBL1823074 | US8835436, Example 135) Show SMILES CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc(OC)cc1 Show InChI InChI=1S/C29H38ClN5O2/c1-5-8-27-32-28(22(3)35(27)23-11-13-24(37-4)14-12-23)29(36)31-15-7-16-33-17-19-34(20-18-33)26-10-6-9-25(30)21(26)2/h6,9-14H,5,7-8,15-20H2,1-4H3,(H,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15.2	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352746 (CHEMBL1822902 | US8835436, Example 145) Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1C |(17.91,6.36,;17.91,4.82,;16.57,4.06,;15.24,4.83,;13.9,4.06,;13.9,2.51,;15.24,1.75,;16.56,2.52,;17.9,1.74,;18.37,.28,;17.46,-.96,;19.91,.28,;20.39,1.74,;21.72,2.51,;21.72,4.05,;23.06,1.74,;24.39,2.51,;25.73,1.74,;27.06,2.51,;28.39,1.75,;29.71,2.53,;31.04,1.76,;31.05,.22,;29.72,-.55,;28.37,.21,;32.38,-.54,;32.39,-2.08,;33.72,-2.84,;35.06,-2.07,;35.05,-.53,;36.38,.25,;33.71,.24,;33.71,1.78,;19.14,2.65,;19.14,4.19,)| Show InChI InChI=1S/C26H31Cl2N5O2/c1-18-25(30-19(2)33(18)21-9-4-5-11-23(21)35-3)26(34)29-12-7-13-31-14-16-32(17-15-31)22-10-6-8-20(27)24(22)28/h4-6,8-11H,7,12-17H2,1-3H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15.8	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM131897 (US8835436, Example 113) Show SMILES CC(C)c1nc(C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1 Show InChI InChI=1S/C28H37N5O/c1-20(2)27-30-26(23(5)33(27)24-11-7-6-8-12-24)28(34)29-14-15-31-16-18-32(19-17-31)25-13-9-10-21(3)22(25)4/h6-13,20H,14-19H2,1-5H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352732 (CHEMBL1823059 | US8835436, Example 104) Show SMILES CC(C)c1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1 Show InChI InChI=1S/C29H39N5O/c1-21(2)28-31-27(24(5)34(28)25-12-7-6-8-13-25)29(35)30-15-10-16-32-17-19-33(20-18-32)26-14-9-11-22(3)23(26)4/h6-9,11-14,21H,10,15-20H2,1-5H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352755 (CHEMBL1823068 | US8835436, Example 144) Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c1C |(-6,-2.67,;-6,-4.21,;-7.34,-4.97,;-8.67,-4.2,;-10.01,-4.97,;-10.01,-6.52,;-8.67,-7.28,;-7.34,-6.51,;-6.01,-7.29,;-5.54,-8.75,;-6.31,-10.08,;-4,-8.75,;-3.52,-7.29,;-2.18,-6.52,;-2.18,-4.98,;-.85,-7.29,;.48,-6.52,;1.82,-7.29,;3.15,-6.52,;4.48,-7.28,;5.8,-6.5,;7.13,-7.27,;7.14,-8.81,;5.81,-9.58,;4.47,-8.82,;8.47,-9.57,;9.81,-8.79,;11.14,-9.56,;11.15,-11.1,;9.81,-11.87,;9.81,-13.41,;8.48,-11.11,;7.14,-11.88,;-4.77,-6.38,;-4.77,-4.84,)| Show InChI InChI=1S/C27H34ClN5O2/c1-19-22(28)9-7-11-23(19)32-17-15-31(16-18-32)14-8-13-29-27(34)26-20(2)33(21(3)30-26)24-10-5-6-12-25(24)35-4/h5-7,9-12H,8,13-18H2,1-4H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16.8	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50352751 (CHEMBL1822907 | US8835436, Example 154) Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1F |(-6.35,-24.32,;-5.44,-23.08,;-3.9,-23.08,;-3.43,-21.61,;-2.09,-20.84,;-2.09,-19.3,;-.76,-21.61,;.58,-20.84,;1.91,-21.61,;3.24,-20.84,;4.57,-21.61,;5.9,-20.83,;7.23,-21.59,;7.23,-23.13,;5.9,-23.91,;4.56,-23.14,;8.57,-23.9,;8.57,-25.43,;9.9,-26.2,;11.24,-25.43,;11.23,-23.88,;12.57,-23.11,;9.9,-23.12,;9.89,-21.58,;-4.67,-20.7,;-4.68,-19.16,;-5.92,-21.61,;-7.25,-20.84,;-8.58,-21.61,;-9.91,-20.85,;-9.91,-19.3,;-8.58,-18.53,;-7.24,-19.3,;-5.91,-18.54,)| Show InChI InChI=1S/C25H28Cl2FN5O/c1-17-24(30-18(2)33(17)21-9-4-3-8-20(21)28)25(34)29-11-6-12-31-13-15-32(16-14-31)22-10-5-7-19(26)23(22)27/h3-5,7-10H,6,11-16H2,1-2H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16.8	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352675 (CHEMBL1823089 | US8835436, Example 101) Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1Cl |(16.51,-45.78,;17.28,-44.45,;18.82,-44.45,;19.3,-42.99,;20.64,-42.22,;20.64,-40.68,;21.97,-42.99,;23.3,-42.22,;24.64,-42.99,;25.97,-42.22,;27.3,-42.98,;28.62,-42.2,;29.95,-42.97,;29.96,-44.51,;28.63,-45.28,;27.29,-44.52,;31.29,-45.27,;32.63,-44.49,;33.96,-45.26,;33.97,-46.8,;32.63,-47.57,;32.63,-49.11,;31.3,-46.81,;29.96,-47.58,;18.05,-42.08,;18.05,-40.54,;16.81,-42.99,;15.48,-42.21,;15.48,-40.67,;14.15,-39.9,;12.81,-40.67,;12.81,-42.22,;14.15,-42.98,;14.15,-44.52,)| Show InChI InChI=1S/C27H34ClN5O/c1-19-9-7-12-24(20(19)2)32-17-15-31(16-18-32)14-8-13-29-27(34)26-21(3)33(22(4)30-26)25-11-6-5-10-23(25)28/h5-7,9-12H,8,13-18H2,1-4H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50352724 (CHEMBL1822896 | US8835436, Example 6) Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1 Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18.6	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50352664 (CHEMBL1823078 | US8835436, Example 134) Show SMILES COc1ccc(cc1)-n1cc(nc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C Show InChI InChI=1S/C32H37N5O2/c1-24-9-7-12-30(25(24)2)36-21-19-35(20-22-36)18-8-17-33-32(38)29-23-37(27-13-15-28(39-3)16-14-27)31(34-29)26-10-5-4-6-11-26/h4-7,9-16,23H,8,17-22H2,1-3H3,(H,33,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50352691 (CHEMBL1823105 | US8835436, Example 155) Show SMILES Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(C)c1C Show InChI InChI=1S/C32H37N5O2/c1-23-11-10-16-29(24(23)2)36-19-17-35(18-20-36)22-28(38)21-33-32(39)30-25(3)37(27-14-8-5-9-15-27)31(34-30)26-12-6-4-7-13-26/h4-16,28,38H,17-22H2,1-3H3,(H,33,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19.1	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50352748 (CHEMBL1822904 | US8835436, Example 10) Show SMILES COc1ccc(cc1)-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1C Show InChI InChI=1S/C26H31Cl2N5O2/c1-18-25(30-19(2)33(18)20-8-10-21(35-3)11-9-20)26(34)29-12-5-13-31-14-16-32(17-15-31)23-7-4-6-22(27)24(23)28/h4,6-11H,5,12-17H2,1-3H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50352722 (CHEMBL1823218 | US8835436, Example 142) Show SMILES Cc1c(nc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NC[C@H](O)CN1CCN(CC1)c1cccc(Cl)c1C |r| Show InChI InChI=1S/C31H33ClFN5O2/c1-21-27(32)9-6-10-28(21)37-17-15-36(16-18-37)20-26(39)19-34-31(40)29-22(2)38(25-13-11-24(33)12-14-25)30(35-29)23-7-4-3-5-8-23/h3-14,26,39H,15-20H2,1-2H3,(H,34,40)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20.1	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50352742 (CHEMBL1822898 | US8835436, Example 7) Show SMILES CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1 Show InChI InChI=1S/C27H33Cl2N5O/c1-3-9-24-31-26(20(2)34(24)21-10-5-4-6-11-21)27(35)30-14-8-15-32-16-18-33(19-17-32)23-13-7-12-22(28)25(23)29/h4-7,10-13H,3,8-9,14-19H2,1-2H3,(H,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM131898 (US8835436, Example 114) Show SMILES Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C26H32FN5O/c1-18-6-5-7-24(19(18)2)31-16-14-30(15-17-31)13-12-28-26(33)25-20(3)32(21(4)29-25)23-10-8-22(27)9-11-23/h5-11H,12-17H2,1-4H3,(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50352658 (CHEMBL1823072 | US8835436, Example 138) Show SMILES COc1ccc(cc1)-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c1C Show InChI InChI=1S/C27H34ClN5O2/c1-19-24(28)7-5-8-25(19)32-17-15-31(16-18-32)14-6-13-29-27(34)26-20(2)33(21(3)30-26)22-9-11-23(35-4)12-10-22/h5,7-12H,6,13-18H2,1-4H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23.1	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50352689 (CHEMBL1823103 | US8835436, Example 156) Show SMILES Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C30H31Cl2N5O2/c1-21-28(34-29(22-9-4-2-5-10-22)37(21)23-11-6-3-7-12-23)30(39)33-19-24(38)20-35-15-17-36(18-16-35)26-14-8-13-25(31)27(26)32/h2-14,24,38H,15-20H2,1H3,(H,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50352746 (CHEMBL1822902 | US8835436, Example 145) Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1C |(17.91,6.36,;17.91,4.82,;16.57,4.06,;15.24,4.83,;13.9,4.06,;13.9,2.51,;15.24,1.75,;16.56,2.52,;17.9,1.74,;18.37,.28,;17.46,-.96,;19.91,.28,;20.39,1.74,;21.72,2.51,;21.72,4.05,;23.06,1.74,;24.39,2.51,;25.73,1.74,;27.06,2.51,;28.39,1.75,;29.71,2.53,;31.04,1.76,;31.05,.22,;29.72,-.55,;28.37,.21,;32.38,-.54,;32.39,-2.08,;33.72,-2.84,;35.06,-2.07,;35.05,-.53,;36.38,.25,;33.71,.24,;33.71,1.78,;19.14,2.65,;19.14,4.19,)| Show InChI InChI=1S/C26H31Cl2N5O2/c1-18-25(30-19(2)33(18)21-9-4-5-11-23(21)35-3)26(34)29-12-7-13-31-14-16-32(17-15-31)22-10-6-8-20(27)24(22)28/h4-6,8-11H,7,12-17H2,1-3H3,(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25.5	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM131899 (US8835436, Example 115) Show SMILES Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc2OCOc2c1 Show InChI InChI=1S/C27H33N5O3/c1-18-6-5-7-23(19(18)2)31-14-12-30(13-15-31)11-10-28-27(33)26-20(3)32(21(4)29-26)22-8-9-24-25(16-22)35-17-34-24/h5-9,16H,10-15,17H2,1-4H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	7.4	n/a
Green Cross Corporation US Patent					Assay Description For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...				US Patent US8835436 (2014) BindingDB Entry DOI: 10.7270/Q24T6H2H
					More data for this Ligand-Target Pair

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