Compile Data Set for Download or QSAR

Found 74 hits Enz. Inhib. hit(s) with all data for entry = 50029029   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50280830 (3-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1 Show InChI InChI=1S/C24H25FN4O2/c25-18-5-6-21-20(14-18)17(15-26-21)13-16-7-9-28(10-8-16)11-12-29-23(30)19-3-1-2-4-22(19)27-24(29)31/h1-6,14-16,26H,7-13H2,(H,27,31)	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50280826 (2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4Cc5ccccc5S4(=O)=O)CC3)c2c1 Show InChI InChI=1S/C23H26FN3O2S/c24-20-5-6-22-21(14-20)19(15-25-22)13-17-7-9-26(10-8-17)11-12-27-16-18-3-1-2-4-23(18)30(27,28)29/h1-6,14-15,17,25H,7-13,16H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50280822 (4-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)CSc5ccccc45)CC3)c2c1 Show InChI InChI=1S/C24H26FN3OS/c25-19-5-6-21-20(14-19)18(15-26-21)13-17-7-9-27(10-8-17)11-12-28-22-3-1-2-4-23(22)30-16-24(28)29/h1-6,14-15,17,26H,7-13,16H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50047098 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4c5cccc6CCCN(c56)S4(=O)=O)CC3)c2c1 Show InChI InChI=1S/C25H29FN4O2S/c26-21-6-7-23-22(16-21)20(17-27-23)15-18-8-11-28(12-9-18)13-14-29-24-5-1-3-19-4-2-10-30(25(19)24)33(29,31)32/h1,3,5-7,16-18,27H,2,4,8-15H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50280819 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c5cccc6cccc([nH]c4=O)c56)CC3)c2c1 Show InChI InChI=1S/C27H27FN4O/c28-21-7-8-23-22(16-21)20(17-29-23)15-18-9-11-31(12-10-18)13-14-32-25-6-2-4-19-3-1-5-24(26(19)25)30-27(32)33/h1-8,16-18,29H,9-15H2,(H,30,33)	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50280831 (2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)c5cccc6cccc(C4=O)c56)CC3)c2c1 Show InChI InChI=1S/C28H26FN3O2/c29-21-7-8-25-24(16-21)20(17-30-25)15-18-9-11-31(12-10-18)13-14-32-27(33)22-5-1-3-19-4-2-6-23(26(19)22)28(32)34/h1-8,16-18,30H,9-15H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50280817 (2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)Nc5ccccc5S4(=O)=O)CC3)c2c1 Show InChI InChI=1S/C23H25FN4O3S/c24-18-5-6-20-19(14-18)17(15-25-20)13-16-7-9-27(10-8-16)11-12-28-23(29)26-21-3-1-2-4-22(21)32(28,30)31/h1-6,14-16,25H,7-13H2,(H,26,29)	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50280828 (3-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES C[Si]1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)C(=O)c2ccccc12 Show InChI InChI=1S/C26H32FN3OSi/c1-32(2)18-30(26(31)22-5-3-4-6-25(22)32)14-13-29-11-9-19(10-12-29)15-20-17-28-24-8-7-21(27)16-23(20)24/h3-8,16-17,19,28H,9-15,18H2,1-2H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50280824 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)Cc5ccccc45)CC3)c2c1 Show InChI InChI=1S/C24H26FN3O/c25-20-5-6-22-21(15-20)19(16-26-22)13-17-7-9-27(10-8-17)11-12-28-23-4-2-1-3-18(23)14-24(28)29/h1-6,15-17,26H,7-14H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50280823 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES CN1c2cccc3cccc(N(CCN4CCC(Cc5c[nH]c6ccc(F)cc56)CC4)S1(=O)=O)c23 Show InChI InChI=1S/C27H29FN4O2S/c1-30-25-6-2-4-20-5-3-7-26(27(20)25)32(35(30,33)34)15-14-31-12-10-19(11-13-31)16-21-18-29-24-9-8-22(28)17-23(21)24/h2-9,17-19,29H,10-16H2,1H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50280832 (2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES CC1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)C(=O)c2ccccc12 Show InChI InChI=1S/C27H32FN3O/c1-27(2)18-31(26(32)22-5-3-4-6-24(22)27)14-13-30-11-9-19(10-12-30)15-20-17-29-25-8-7-21(28)16-23(20)25/h3-8,16-17,19,29H,9-15,18H2,1-2H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50280827 (1'-{2-[4-(5-fluoro-1H-3-indolylmethyl)hexahydro-1-...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)C5(CC5)c5ccccc45)CC3)c2c1 Show InChI InChI=1S/C26H28FN3O/c27-20-5-6-23-21(16-20)19(17-28-23)15-18-7-11-29(12-8-18)13-14-30-24-4-2-1-3-22(24)26(9-10-26)25(30)31/h1-6,16-18,28H,7-15H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50280829 (2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES OC1=CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)S(=O)(=O)c2ccccc12 |t:1| Show InChI InChI=1S/C24H26FN3O3S/c25-19-5-6-22-21(14-19)18(15-26-22)13-17-7-9-27(10-8-17)11-12-28-16-23(29)20-3-1-2-4-24(20)32(28,30)31/h1-6,14-17,26,29H,7-13H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50280825 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Cn1c(=O)n(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)c2ccccc2c1=O Show InChI InChI=1S/C25H27FN4O2/c1-28-24(31)20-4-2-3-5-23(20)30(25(28)32)13-12-29-10-8-17(9-11-29)14-18-16-27-22-7-6-19(26)15-21(18)22/h2-7,15-17,27H,8-14H2,1H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50280815 (CHEMBL56377 | N-{2-[4-(5-Fluoro-1H-indol-3-ylmethy...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCNS(=O)(=O)c4ccccc4)CC3)c2c1 Show InChI InChI=1S/C22H26FN3O2S/c23-19-6-7-22-21(15-19)18(16-24-22)14-17-8-11-26(12-9-17)13-10-25-29(27,28)20-4-2-1-3-5-20/h1-7,15-17,24-25H,8-14H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50280818 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4c5cccc6cccc(NS4(=O)=O)c56)CC3)c2c1 Show InChI InChI=1S/C26H27FN4O2S/c27-21-7-8-23-22(16-21)20(17-28-23)15-18-9-11-30(12-10-18)13-14-31-25-6-2-4-19-3-1-5-24(26(19)25)29-34(31,32)33/h1-8,16-18,28-29H,9-15H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50280821 (2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES C[Si]1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C25H32FN3O2SSi/c1-33(2)18-29(32(30,31)24-5-3-4-6-25(24)33)14-13-28-11-9-19(10-12-28)15-20-17-27-23-8-7-21(26)16-22(20)23/h3-8,16-17,19,27H,9-15,18H2,1-2H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	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 MMDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50280820 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES COc1nc2cccc3cccc(n1CCN1CCC(Cc4c[nH]c5ccc(F)cc45)CC1)c23 Show InChI InChI=1S/C28H29FN4O/c1-34-28-31-25-6-2-4-20-5-3-7-26(27(20)25)33(28)15-14-32-12-10-19(11-13-32)16-21-18-30-24-9-8-22(29)17-23(21)24/h2-9,17-19,30H,10-16H2,1H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50280816 (CHEMBL293729 | N-{2-[4-(5-Fluoro-1H-indol-3-ylmeth...) Show SMILES CN(CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H28FN3O2S/c1-26(30(28,29)21-5-3-2-4-6-21)13-14-27-11-9-18(10-12-27)15-19-17-25-23-8-7-20(24)16-22(19)23/h2-8,16-18,25H,9-15H2,1H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50280818 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4c5cccc6cccc(NS4(=O)=O)c56)CC3)c2c1 Show InChI InChI=1S/C26H27FN4O2S/c27-21-7-8-23-22(16-21)20(17-28-23)15-18-9-11-30(12-10-18)13-14-31-25-6-2-4-19-3-1-5-24(26(19)25)29-34(31,32)33/h1-8,16-18,28-29H,9-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50280826 (2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4Cc5ccccc5S4(=O)=O)CC3)c2c1 Show InChI InChI=1S/C23H26FN3O2S/c24-20-5-6-22-21(14-20)19(15-25-22)13-17-7-9-26(10-8-17)11-12-27-16-18-3-1-2-4-23(18)30(27,28)29/h1-6,14-15,17,25H,7-13,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50280827 (1'-{2-[4-(5-fluoro-1H-3-indolylmethyl)hexahydro-1-...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)C5(CC5)c5ccccc45)CC3)c2c1 Show InChI InChI=1S/C26H28FN3O/c27-20-5-6-23-21(16-20)19(17-28-23)15-18-7-11-29(12-8-18)13-14-30-24-4-2-1-3-22(24)26(9-10-26)25(30)31/h1-6,16-18,28H,7-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50280824 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)Cc5ccccc45)CC3)c2c1 Show InChI InChI=1S/C24H26FN3O/c25-20-5-6-22-21(15-20)19(16-26-22)13-17-7-9-27(10-8-17)11-12-28-23-4-2-1-3-18(23)14-24(28)29/h1-6,15-17,26H,7-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50280820 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES COc1nc2cccc3cccc(n1CCN1CCC(Cc4c[nH]c5ccc(F)cc45)CC1)c23 Show InChI InChI=1S/C28H29FN4O/c1-34-28-31-25-6-2-4-20-5-3-7-26(27(20)25)33(28)15-14-32-12-10-19(11-13-32)16-21-18-30-24-9-8-22(29)17-23(21)24/h2-9,17-19,30H,10-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50280828 (3-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES C[Si]1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)C(=O)c2ccccc12 Show InChI InChI=1S/C26H32FN3OSi/c1-32(2)18-30(26(31)22-5-3-4-6-25(22)32)14-13-29-11-9-19(10-12-29)15-20-17-28-24-8-7-21(27)16-23(20)24/h3-8,16-17,19,28H,9-15,18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50280822 (4-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)CSc5ccccc45)CC3)c2c1 Show InChI InChI=1S/C24H26FN3OS/c25-19-5-6-21-20(14-19)18(15-26-21)13-17-7-9-27(10-8-17)11-12-28-22-3-1-2-4-23(22)30-16-24(28)29/h1-6,14-15,17,26H,7-13,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50280832 (2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES CC1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)C(=O)c2ccccc12 Show InChI InChI=1S/C27H32FN3O/c1-27(2)18-31(26(32)22-5-3-4-6-24(22)27)14-13-30-11-9-19(10-12-30)15-20-17-29-25-8-7-21(28)16-23(20)25/h3-8,16-17,19,29H,9-15,18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50280823 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES CN1c2cccc3cccc(N(CCN4CCC(Cc5c[nH]c6ccc(F)cc56)CC4)S1(=O)=O)c23 Show InChI InChI=1S/C27H29FN4O2S/c1-30-25-6-2-4-20-5-3-7-26(27(20)25)32(35(30,33)34)15-14-31-12-10-19(11-13-31)16-21-18-29-24-9-8-22(28)17-23(21)24/h2-9,17-19,29H,10-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50280821 (2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES C[Si]1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C25H32FN3O2SSi/c1-33(2)18-29(32(30,31)24-5-3-4-6-25(24)33)14-13-28-11-9-19(10-12-28)15-20-17-27-23-8-7-21(26)16-22(20)23/h3-8,16-17,19,27H,9-15,18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50280819 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c5cccc6cccc([nH]c4=O)c56)CC3)c2c1 Show InChI InChI=1S/C27H27FN4O/c28-21-7-8-23-22(16-21)20(17-29-23)15-18-9-11-31(12-10-18)13-14-32-25-6-2-4-19-3-1-5-24(26(19)25)30-27(32)33/h1-8,16-18,29H,9-15H2,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50280816 (CHEMBL293729 | N-{2-[4-(5-Fluoro-1H-indol-3-ylmeth...) Show SMILES CN(CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H28FN3O2S/c1-26(30(28,29)21-5-3-2-4-6-21)13-14-27-11-9-18(10-12-27)15-19-17-25-23-8-7-20(24)16-22(19)23/h2-8,16-18,25H,9-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50280831 (2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)c5cccc6cccc(C4=O)c56)CC3)c2c1 Show InChI InChI=1S/C28H26FN3O2/c29-21-7-8-25-24(16-21)20(17-30-25)15-18-9-11-31(12-10-18)13-14-32-27(33)22-5-1-3-19-4-2-6-23(26(19)22)28(32)34/h1-8,16-18,30H,9-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50280825 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Cn1c(=O)n(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)c2ccccc2c1=O Show InChI InChI=1S/C25H27FN4O2/c1-28-24(31)20-4-2-3-5-23(20)30(25(28)32)13-12-29-10-8-17(9-11-29)14-18-16-27-22-7-6-19(26)15-21(18)22/h2-7,15-17,27H,8-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50280830 (3-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1 Show InChI InChI=1S/C24H25FN4O2/c25-18-5-6-21-20(14-18)17(15-26-21)13-16-7-9-28(10-8-16)11-12-29-23(30)19-3-1-2-4-22(19)27-24(29)31/h1-6,14-16,26H,7-13H2,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50280829 (2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES OC1=CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)S(=O)(=O)c2ccccc12 |t:1| Show InChI InChI=1S/C24H26FN3O3S/c25-19-5-6-22-21(14-19)18(15-26-22)13-17-7-9-27(10-8-17)11-12-28-16-23(29)20-3-1-2-4-24(20)32(28,30)31/h1-6,14-17,26,29H,7-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50280815 (CHEMBL56377 | N-{2-[4-(5-Fluoro-1H-indol-3-ylmethy...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCNS(=O)(=O)c4ccccc4)CC3)c2c1 Show InChI InChI=1S/C22H26FN3O2S/c23-19-6-7-22-21(15-19)18(16-24-22)14-17-8-11-26(12-9-17)13-10-25-29(27,28)20-4-2-1-3-5-20/h1-7,15-17,24-25H,8-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50280817 (2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)Nc5ccccc5S4(=O)=O)CC3)c2c1 Show InChI InChI=1S/C23H25FN4O3S/c24-18-5-6-20-19(14-18)17(15-25-20)13-16-7-9-27(10-8-16)11-12-28-23(29)26-21-3-1-2-4-22(21)32(28,30)31/h1-6,14-16,25H,7-13H2,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50280821 (2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES C[Si]1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C25H32FN3O2SSi/c1-33(2)18-29(32(30,31)24-5-3-4-6-25(24)33)14-13-28-11-9-19(10-12-28)15-20-17-27-23-8-7-21(26)16-22(20)23/h3-8,16-17,19,27H,9-15,18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Mus musculus (Mouse))	BDBM50280824 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)Cc5ccccc45)CC3)c2c1 Show InChI InChI=1S/C24H26FN3O/c25-20-5-6-22-21(15-20)19(16-26-22)13-17-7-9-27(10-8-17)11-12-28-23-4-2-1-3-18(23)14-24(28)29/h1-6,15-17,26H,7-14H2	MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Mus musculus (Mouse))	BDBM50280816 (CHEMBL293729 | N-{2-[4-(5-Fluoro-1H-indol-3-ylmeth...) Show SMILES CN(CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H28FN3O2S/c1-26(30(28,29)21-5-3-2-4-6-21)13-14-27-11-9-18(10-12-27)15-19-17-25-23-8-7-20(24)16-22(19)23/h2-8,16-18,25H,9-15H2,1H3	MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Mus musculus (Mouse))	BDBM50280815 (CHEMBL56377 | N-{2-[4-(5-Fluoro-1H-indol-3-ylmethy...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCNS(=O)(=O)c4ccccc4)CC3)c2c1 Show InChI InChI=1S/C22H26FN3O2S/c23-19-6-7-22-21(15-19)18(16-24-22)14-17-8-11-26(12-9-17)13-10-25-29(27,28)20-4-2-1-3-5-20/h1-7,15-17,24-25H,8-14H2	MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50280823 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES CN1c2cccc3cccc(N(CCN4CCC(Cc5c[nH]c6ccc(F)cc56)CC4)S1(=O)=O)c23 Show InChI InChI=1S/C27H29FN4O2S/c1-30-25-6-2-4-20-5-3-7-26(27(20)25)32(35(30,33)34)15-14-31-12-10-19(11-13-31)16-21-18-29-24-9-8-22(28)17-23(21)24/h2-9,17-19,29H,10-16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50280828 (3-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES C[Si]1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)C(=O)c2ccccc12 Show InChI InChI=1S/C26H32FN3OSi/c1-32(2)18-30(26(31)22-5-3-4-6-25(22)32)14-13-29-11-9-19(10-12-29)15-20-17-28-24-8-7-21(27)16-23(20)24/h3-8,16-17,19,28H,9-15,18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Mus musculus (Mouse))	BDBM50280830 (3-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1 Show InChI InChI=1S/C24H25FN4O2/c25-18-5-6-21-20(14-18)17(15-26-21)13-16-7-9-28(10-8-16)11-12-29-23(30)19-3-1-2-4-22(19)27-24(29)31/h1-6,14-16,26H,7-13H2,(H,27,31)	MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50280832 (2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES CC1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)C(=O)c2ccccc12 Show InChI InChI=1S/C27H32FN3O/c1-27(2)18-31(26(32)22-5-3-4-6-24(22)27)14-13-30-11-9-19(10-12-30)15-20-17-29-25-8-7-21(28)16-23(20)25/h3-8,16-17,19,29H,9-15,18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50280830 (3-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1 Show InChI InChI=1S/C24H25FN4O2/c25-18-5-6-21-20(14-18)17(15-26-21)13-16-7-9-28(10-8-16)11-12-29-23(30)19-3-1-2-4-22(19)27-24(29)31/h1-6,14-16,26H,7-13H2,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Mus musculus (Mouse))	BDBM50280820 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES COc1nc2cccc3cccc(n1CCN1CCC(Cc4c[nH]c5ccc(F)cc45)CC1)c23 Show InChI InChI=1S/C28H29FN4O/c1-34-28-31-25-6-2-4-20-5-3-7-26(27(20)25)33(28)15-14-32-12-10-19(11-13-32)16-21-18-30-24-9-8-22(29)17-23(21)24/h2-9,17-19,30H,10-16H2,1H3	MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Mus musculus (Mouse))	BDBM50280827 (1'-{2-[4-(5-fluoro-1H-3-indolylmethyl)hexahydro-1-...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)C5(CC5)c5ccccc45)CC3)c2c1 Show InChI InChI=1S/C26H28FN3O/c27-20-5-6-23-21(16-20)19(17-28-23)15-18-7-11-29(12-8-18)13-14-30-24-4-2-1-3-22(24)26(9-10-26)25(30)31/h1-6,16-18,28H,7-15H2	MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Mus musculus (Mouse))	BDBM50280817 (2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)Nc5ccccc5S4(=O)=O)CC3)c2c1 Show InChI InChI=1S/C23H25FN4O3S/c24-18-5-6-20-19(14-18)17(15-25-20)13-16-7-9-27(10-8-16)11-12-28-23(29)26-21-3-1-2-4-22(21)32(28,30)31/h1-6,14-16,25H,7-13H2,(H,26,29)	MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified				Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4
					More data for this Ligand-Target Pair

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