Compile Data Set for Download or QSAR

Found 105 hits Enz. Inhib. hit(s) with all data for entry = 50041870   

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 1D (Homo sapiens (Human))	BDBM50413549 (CHEMBL513715) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)COc23)CC1 Show InChI InChI=1S/C24H26N4O2/c1-17-8-9-19-20(25-17)5-3-7-22(19)28-14-12-27(13-15-28)11-10-18-4-2-6-21-24(18)30-16-23(29)26-21/h2-9H,10-16H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50417409 (CHEMBL1290487) Show SMILES CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12 Show InChI InChI=1S/C26H30N4O/c1-19-9-10-22-23(27-19)6-4-8-25(22)30-17-15-29(16-18-30)14-13-20-5-3-7-24-21(20)11-12-26(31)28(24)2/h3-10H,11-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50413550 (CHEMBL469345) Show SMILES CN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12 Show InChI InChI=1S/C25H28N4O2/c1-18-9-10-20-21(26-18)6-4-7-22(20)29-15-13-28(14-16-29)12-11-19-5-3-8-23-25(19)31-17-24(30)27(23)2/h3-10H,11-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50417420 (CHEMBL1290486) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)CCc23)CC1 Show InChI InChI=1S/C25H28N4O/c1-18-8-9-21-23(26-18)6-3-7-24(21)29-16-14-28(15-17-29)13-12-19-4-2-5-22-20(19)10-11-25(30)27-22/h2-9H,10-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50417411 (CHEMBL1290715) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3[nH]c(=O)ccc23)CC1 Show InChI InChI=1S/C25H26N4O/c1-18-8-9-21-23(26-18)6-3-7-24(21)29-16-14-28(15-17-29)13-12-19-4-2-5-22-20(19)10-11-25(30)27-22/h2-11H,12-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50417424 (CHEMBL1289394) Show SMILES C[C@@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r| Show InChI InChI=1S/C27H29FN4O/c1-18-7-8-23-24(29-18)15-21(28)16-26(23)32-14-13-31(19(2)17-32)12-11-20-5-4-6-25-22(20)9-10-27(33)30(25)3/h4-10,15-16,19H,11-14,17H2,1-3H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50413550 (CHEMBL469345) Show SMILES CN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12 Show InChI InChI=1S/C25H28N4O2/c1-18-9-10-20-21(26-18)6-4-7-22(20)29-15-13-28(14-16-29)12-11-19-5-3-8-23-25(19)31-17-24(30)27(23)2/h3-10H,11-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50413549 (CHEMBL513715) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)COc23)CC1 Show InChI InChI=1S/C24H26N4O2/c1-17-8-9-19-20(25-17)5-3-7-22(19)28-14-12-27(13-15-28)11-10-18-4-2-6-21-24(18)30-16-23(29)26-21/h2-9H,10-16H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50417419 (CHEMBL1289618) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3n(C)c(=O)ccc23)C(C)(C)C1 Show InChI InChI=1S/C28H32N4O/c1-20-11-12-23-24(29-20)8-6-10-26(23)31-17-18-32(28(2,3)19-31)16-15-21-7-5-9-25-22(21)13-14-27(33)30(25)4/h5-14H,15-19H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram in human SERT expressed in LLCPK cells by filtration assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50417413 (CHEMBL1289163) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2c(F)ccc3n(C)c(=O)ccc23)CC1 Show InChI InChI=1S/C26H27FN4O/c1-18-6-7-21-23(28-18)4-3-5-25(21)31-16-14-30(15-17-31)13-12-19-20-8-11-26(32)29(2)24(20)10-9-22(19)27/h3-11H,12-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417420 (CHEMBL1290486) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)CCc23)CC1 Show InChI InChI=1S/C25H28N4O/c1-18-8-9-21-23(26-18)6-3-7-24(21)29-16-14-28(15-17-29)13-12-19-4-2-5-22-20(19)10-11-25(30)27-22/h2-9H,10-17H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417413 (CHEMBL1289163) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2c(F)ccc3n(C)c(=O)ccc23)CC1 Show InChI InChI=1S/C26H27FN4O/c1-18-6-7-21-23(28-18)4-3-5-25(21)31-16-14-30(15-17-31)13-12-19-20-8-11-26(32)29(2)24(20)10-9-22(19)27/h3-11H,12-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50417425 (CHEMBL1289510) Show SMILES C[C@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r| Show InChI InChI=1S/C27H29FN4O/c1-18-7-8-23-24(29-18)15-21(28)16-26(23)32-14-13-31(19(2)17-32)12-11-20-5-4-6-25-22(20)9-10-27(33)30(25)3/h4-10,15-16,19H,11-14,17H2,1-3H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram in human SERT expressed in LLCPK cells by filtration assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50417419 (CHEMBL1289618) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3n(C)c(=O)ccc23)C(C)(C)C1 Show InChI InChI=1S/C28H32N4O/c1-20-11-12-23-24(29-20)8-6-10-26(23)31-17-18-32(28(2,3)19-31)16-15-21-7-5-9-25-22(21)13-14-27(33)30(25)4/h5-14H,15-19H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50417424 (CHEMBL1289394) Show SMILES C[C@@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r| Show InChI InChI=1S/C27H29FN4O/c1-18-7-8-23-24(29-18)15-21(28)16-26(23)32-14-13-31(19(2)17-32)12-11-20-5-4-6-25-22(20)9-10-27(33)30(25)3/h4-10,15-16,19H,11-14,17H2,1-3H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram in human SERT expressed in LLCPK cells by filtration assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50417417 (CHEMBL1289509) Show SMILES C[C@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12 |r| Show InChI InChI=1S/C28H32N4O/c1-19-8-12-26-23(11-13-28(33)30(26)4)22(19)14-15-31-16-17-32(18-21(31)3)27-7-5-6-25-24(27)10-9-20(2)29-25/h5-13,21H,14-18H2,1-4H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram in human SERT expressed in LLCPK cells by filtration assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50417420 (CHEMBL1290486) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)CCc23)CC1 Show InChI InChI=1S/C25H28N4O/c1-18-8-9-21-23(26-18)6-3-7-24(21)29-16-14-28(15-17-29)13-12-19-4-2-5-22-20(19)10-11-25(30)27-22/h2-9H,10-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1B receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417411 (CHEMBL1290715) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3[nH]c(=O)ccc23)CC1 Show InChI InChI=1S/C25H26N4O/c1-18-8-9-21-23(26-18)6-3-7-24(21)29-16-14-28(15-17-29)13-12-19-4-2-5-22-20(19)10-11-25(30)27-22/h2-11H,12-17H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417422 (CHEMBL1289048) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1 Show InChI InChI=1S/C27H30N4O/c1-19-7-11-25-22(10-12-27(32)29(25)3)21(19)13-14-30-15-17-31(18-16-30)26-6-4-5-24-23(26)9-8-20(2)28-24/h4-12H,13-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417409 (CHEMBL1290487) Show SMILES CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12 Show InChI InChI=1S/C26H30N4O/c1-19-9-10-22-23(27-19)6-4-8-25(22)30-17-15-29(16-18-30)14-13-20-5-3-7-24-21(20)11-12-26(31)28(24)2/h3-10H,11-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417421 (CHEMBL1290597) Show SMILES CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)c(C)ccc12 Show InChI InChI=1S/C27H32N4O/c1-19-7-11-25-22(10-12-27(32)29(25)3)21(19)13-14-30-15-17-31(18-16-30)26-6-4-5-24-23(26)9-8-20(2)28-24/h4-9,11H,10,12-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50417409 (CHEMBL1290487) Show SMILES CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12 Show InChI InChI=1S/C26H30N4O/c1-19-9-10-22-23(27-19)6-4-8-25(22)30-17-15-29(16-18-30)14-13-20-5-3-7-24-21(20)11-12-26(31)28(24)2/h3-10H,11-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1B receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417410 (CHEMBL1290596) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2c(C)ccc3NC(=O)CCc23)CC1 Show InChI InChI=1S/C26H30N4O/c1-18-6-10-24-21(9-11-26(31)28-24)20(18)12-13-29-14-16-30(17-15-29)25-5-3-4-23-22(25)8-7-19(2)27-23/h3-8,10H,9,11-17H2,1-2H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50417424 (CHEMBL1289394) Show SMILES C[C@@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r| Show InChI InChI=1S/C27H29FN4O/c1-18-7-8-23-24(29-18)15-21(28)16-26(23)32-14-13-31(19(2)17-32)12-11-20-5-4-6-25-22(20)9-10-27(33)30(25)3/h4-10,15-16,19H,11-14,17H2,1-3H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1B receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50417427 (CHEMBL1290716) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3n(C)c(=O)ccc23)CC1 Show InChI InChI=1S/C26H28N4O/c1-19-9-10-22-23(27-19)6-4-8-25(22)30-17-15-29(16-18-30)14-13-20-5-3-7-24-21(20)11-12-26(31)28(24)2/h3-12H,13-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1B receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417425 (CHEMBL1289510) Show SMILES C[C@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r| Show InChI InChI=1S/C27H29FN4O/c1-18-7-8-23-24(29-18)15-21(28)16-26(23)32-14-13-31(19(2)17-32)12-11-20-5-4-6-25-22(20)9-10-27(33)30(25)3/h4-10,15-16,19H,11-14,17H2,1-3H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50417418 (CHEMBL1289617) Show SMILES C[C@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r| Show InChI InChI=1S/C28H31FN4O/c1-18-5-9-26-23(8-10-28(34)31(26)4)22(18)11-12-32-13-14-33(17-20(32)3)27-16-21(29)15-25-24(27)7-6-19(2)30-25/h5-10,15-16,20H,11-14,17H2,1-4H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram in human SERT expressed in LLCPK cells by filtration assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417412 (CHEMBL1289047) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2c(C)ccc3[nH]c(=O)ccc23)CC1 Show InChI InChI=1S/C26H28N4O/c1-18-6-10-24-21(9-11-26(31)28-24)20(18)12-13-29-14-16-30(17-15-29)25-5-3-4-23-22(25)8-7-19(2)27-23/h3-11H,12-17H2,1-2H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50413549 (CHEMBL513715) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)COc23)CC1 Show InChI InChI=1S/C24H26N4O2/c1-17-8-9-19-20(25-17)5-3-7-22(19)28-14-12-27(13-15-28)11-10-18-4-2-6-21-24(18)30-16-23(29)26-21/h2-9H,10-16H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1B receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50417421 (CHEMBL1290597) Show SMILES CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)c(C)ccc12 Show InChI InChI=1S/C27H32N4O/c1-19-7-11-25-22(10-12-27(32)29(25)3)21(19)13-14-30-15-17-31(18-16-30)26-6-4-5-24-23(26)9-8-20(2)28-24/h4-9,11H,10,12-18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417424 (CHEMBL1289394) Show SMILES C[C@@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r| Show InChI InChI=1S/C27H29FN4O/c1-18-7-8-23-24(29-18)15-21(28)16-26(23)32-14-13-31(19(2)17-32)12-11-20-5-4-6-25-22(20)9-10-27(33)30(25)3/h4-10,15-16,19H,11-14,17H2,1-3H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417414 (CHEMBL1289276) Show SMILES Cc1ccc2c(cc(F)cc2n1)N1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1 Show InChI InChI=1S/C27H29FN4O/c1-18-4-8-25-22(7-9-27(33)30(25)3)21(18)10-11-31-12-14-32(15-13-31)26-17-20(28)16-24-23(26)6-5-19(2)29-24/h4-9,16-17H,10-15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50417425 (CHEMBL1289510) Show SMILES C[C@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r| Show InChI InChI=1S/C27H29FN4O/c1-18-7-8-23-24(29-18)15-21(28)16-26(23)32-14-13-31(19(2)17-32)12-11-20-5-4-6-25-22(20)9-10-27(33)30(25)3/h4-10,15-16,19H,11-14,17H2,1-3H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50417426 (CHEMBL1289721) Show SMILES Cc1ccc2c(cccc2n1)C1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1 Show InChI InChI=1S/C28H31N3O/c1-19-7-11-27-25(10-12-28(32)30(27)3)22(19)15-18-31-16-13-21(14-17-31)23-5-4-6-26-24(23)9-8-20(2)29-26/h4-12,21H,13-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram in human SERT expressed in LLCPK cells by filtration assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417426 (CHEMBL1289721) Show SMILES Cc1ccc2c(cccc2n1)C1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1 Show InChI InChI=1S/C28H31N3O/c1-19-7-11-27-25(10-12-28(32)30(27)3)22(19)15-18-31-16-13-21(14-17-31)23-5-4-6-26-24(23)9-8-20(2)29-26/h4-12,21H,13-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417415 (CHEMBL1289277) Show SMILES C[C@@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12 |r| Show InChI InChI=1S/C28H32N4O/c1-19-8-12-26-23(11-13-28(33)30(26)4)22(19)14-15-31-16-17-32(18-21(31)3)27-7-5-6-25-24(27)10-9-20(2)29-25/h5-13,21H,14-18H2,1-4H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417419 (CHEMBL1289618) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3n(C)c(=O)ccc23)C(C)(C)C1 Show InChI InChI=1S/C28H32N4O/c1-20-11-12-23-24(29-20)8-6-10-26(23)31-17-18-32(28(2,3)19-31)16-15-21-7-5-9-25-22(21)13-14-27(33)30(25)4/h5-14H,15-19H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50413550 (CHEMBL469345) Show SMILES CN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12 Show InChI InChI=1S/C25H28N4O2/c1-18-9-10-20-21(26-18)6-4-7-22(20)29-15-13-28(14-16-29)12-11-19-5-3-8-23-25(19)31-17-24(30)27(23)2/h3-10H,11-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1B receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50417414 (CHEMBL1289276) Show SMILES Cc1ccc2c(cc(F)cc2n1)N1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1 Show InChI InChI=1S/C27H29FN4O/c1-18-4-8-25-22(7-9-27(33)30(25)3)21(18)10-11-31-12-14-32(15-13-31)26-17-20(28)16-24-23(26)6-5-19(2)29-24/h4-9,16-17H,10-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50417422 (CHEMBL1289048) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1 Show InChI InChI=1S/C27H30N4O/c1-19-7-11-25-22(10-12-27(32)29(25)3)21(19)13-14-30-15-17-31(18-16-30)26-6-4-5-24-23(26)9-8-20(2)28-24/h4-12H,13-18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50417411 (CHEMBL1290715) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3[nH]c(=O)ccc23)CC1 Show InChI InChI=1S/C25H26N4O/c1-18-8-9-21-23(26-18)6-3-7-24(21)29-16-14-28(15-17-29)13-12-19-4-2-5-22-20(19)10-11-25(30)27-22/h2-11H,12-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1B receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50417412 (CHEMBL1289047) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2c(C)ccc3[nH]c(=O)ccc23)CC1 Show InChI InChI=1S/C26H28N4O/c1-18-6-10-24-21(9-11-26(31)28-24)20(18)12-13-29-14-16-30(17-15-29)25-5-3-4-23-22(25)8-7-19(2)27-23/h3-11H,12-17H2,1-2H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50417416 (CHEMBL1287827) Show SMILES C[C@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12 |r| Show InChI InChI=1S/C27H30N4O/c1-19-10-11-23-24(28-19)7-5-9-26(23)31-17-16-30(20(2)18-31)15-14-21-6-4-8-25-22(21)12-13-27(32)29(25)3/h4-13,20H,14-18H2,1-3H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram in human SERT expressed in LLCPK cells by filtration assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50417427 (CHEMBL1290716) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3n(C)c(=O)ccc23)CC1 Show InChI InChI=1S/C26H28N4O/c1-19-9-10-22-23(27-19)6-4-8-25(22)30-17-15-29(16-18-30)14-13-20-5-3-7-24-21(20)11-12-26(31)28(24)2/h3-12H,13-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram in human SERT expressed in LLCPK cells by filtration assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50417415 (CHEMBL1289277) Show SMILES C[C@@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12 |r| Show InChI InChI=1S/C28H32N4O/c1-19-8-12-26-23(11-13-28(33)30(26)4)22(19)14-15-31-16-17-32(18-21(31)3)27-7-5-6-25-24(27)10-9-20(2)29-25/h5-13,21H,14-18H2,1-4H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417416 (CHEMBL1287827) Show SMILES C[C@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12 |r| Show InChI InChI=1S/C27H30N4O/c1-19-10-11-23-24(28-19)7-5-9-26(23)31-17-16-30(20(2)18-31)15-14-21-6-4-8-25-22(21)12-13-27(32)29(25)3/h4-13,20H,14-18H2,1-3H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417417 (CHEMBL1289509) Show SMILES C[C@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12 |r| Show InChI InChI=1S/C28H32N4O/c1-19-8-12-26-23(11-13-28(33)30(26)4)22(19)14-15-31-16-17-32(18-21(31)3)27-7-5-6-25-24(27)10-9-20(2)29-25/h5-13,21H,14-18H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417418 (CHEMBL1289617) Show SMILES C[C@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r| Show InChI InChI=1S/C28H31FN4O/c1-18-5-9-26-23(8-10-28(34)31(26)4)22(18)11-12-32-13-14-33(17-20(32)3)27-16-21(29)15-25-24(27)7-6-19(2)30-25/h5-10,15-16,20H,11-14,17H2,1-4H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417423 (CHEMBL1289164) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2c(Cl)ccc3n(C)c(=O)ccc23)CC1 Show InChI InChI=1S/C26H27ClN4O/c1-18-6-7-21-23(28-18)4-3-5-25(21)31-16-14-30(15-17-31)13-12-19-20-8-11-26(32)29(2)24(20)10-9-22(19)27/h3-11H,12-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50417415 (CHEMBL1289277) Show SMILES C[C@@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12 |r| Show InChI InChI=1S/C28H32N4O/c1-19-8-12-26-23(11-13-28(33)30(26)4)22(19)14-15-31-16-17-32(18-21(31)3)27-7-5-6-25-24(27)10-9-20(2)29-25/h5-13,21H,14-18H2,1-4H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram in human SERT expressed in LLCPK cells by filtration assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 105 total )  |  Next  |  Last  >>

Jump to: