Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50028884   

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 (Rattus norvegicus (rat))	BDBM50030004 (1-((S)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthal...) Show SMILES CCCN(CCC)[C@H]1CCc2cccc(C(C)=O)c2C1 Show InChI InChI=1S/C18H27NO/c1-4-11-19(12-5-2)16-10-9-15-7-6-8-17(14(3)20)18(15)13-16/h6-8,16H,4-5,9-13H2,1-3H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]- 8-OH-DPAT binding to 5-HT1A-receptor from rat cerebral cortex membranes				Bioorg Med Chem Lett 1: 257-262 (1991) Article DOI: 10.1016/S0960-894X(01)81038-6 BindingDB Entry DOI: 10.7270/Q2416X0N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50016777 (((R)-8-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...) Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibiting the binding of [3H]- 8-OH-DPAT to 5-HT1A-receptor from cerebral cortex membranes of rat				Bioorg Med Chem Lett 1: 257-262 (1991) Article DOI: 10.1016/S0960-894X(01)81038-6 BindingDB Entry DOI: 10.7270/Q2416X0N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50030026 (((R)-8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...) Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(OC)c2C1 Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-17(19-3)16(14)13-15/h6-8,15H,4-5,9-13H2,1-3H3/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]- 8-OH-DPAT binding to 5-HT1A-receptor from rat cerebral cortex membranes				Bioorg Med Chem Lett 1: 257-262 (1991) Article DOI: 10.1016/S0960-894X(01)81038-6 BindingDB Entry DOI: 10.7270/Q2416X0N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50030019 ((S)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalene...) Show SMILES CCCN(CCC)[C@H]1CCc2cccc(C(=O)OC)c2C1 Show InChI InChI=1S/C18H27NO2/c1-4-11-19(12-5-2)15-10-9-14-7-6-8-16(17(14)13-15)18(20)21-3/h6-8,15H,4-5,9-13H2,1-3H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]- 8-OH-DPAT binding to 5-HT1A-receptor from rat cerebral cortex membranes				Bioorg Med Chem Lett 1: 257-262 (1991) Article DOI: 10.1016/S0960-894X(01)81038-6 BindingDB Entry DOI: 10.7270/Q2416X0N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011247 (7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol...) Show SMILES CCCN(CCC)[C@H]1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibiting the binding of [3H]- 8-OH-DPAT to 5-HT1A-receptor from cerebral cortex membranes of rat				Bioorg Med Chem Lett 1: 257-262 (1991) Article DOI: 10.1016/S0960-894X(01)81038-6 BindingDB Entry DOI: 10.7270/Q2416X0N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50030025 (1-((R)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthal...) Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(C(C)=O)c2C1 Show InChI InChI=1S/C18H27NO/c1-4-11-19(12-5-2)16-10-9-15-7-6-8-17(14(3)20)18(15)13-16/h6-8,16H,4-5,9-13H2,1-3H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]- 8-OH-DPAT binding to 5-HT1A-receptor from rat cerebral cortex membranes				Bioorg Med Chem Lett 1: 257-262 (1991) Article DOI: 10.1016/S0960-894X(01)81038-6 BindingDB Entry DOI: 10.7270/Q2416X0N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50030010 (((S)-8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...) Show SMILES CCCN(CCC)[C@H]1CCc2cccc(OC)c2C1 Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-17(19-3)16(14)13-15/h6-8,15H,4-5,9-13H2,1-3H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]- 8-OH-DPAT binding to 5-HT1A-receptor from rat cerebral cortex membranes				Bioorg Med Chem Lett 1: 257-262 (1991) Article DOI: 10.1016/S0960-894X(01)81038-6 BindingDB Entry DOI: 10.7270/Q2416X0N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50030001 (CHEMBL89014 | Trifluoro-methanesulfonic acid (R)-7...) Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1 Show InChI InChI=1S/C17H24F3NO3S/c1-3-10-21(11-4-2)14-9-8-13-6-5-7-16(15(13)12-14)24-25(22,23)17(18,19)20/h5-7,14H,3-4,8-12H2,1-2H3/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]- 8-OH-DPAT binding to 5-HT1A-receptor from rat cerebral cortex membranes				Bioorg Med Chem Lett 1: 257-262 (1991) Article DOI: 10.1016/S0960-894X(01)81038-6 BindingDB Entry DOI: 10.7270/Q2416X0N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50030002 ((R)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalene...) Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(C(=O)OC)c2C1 Show InChI InChI=1S/C18H27NO2/c1-4-11-19(12-5-2)15-10-9-14-7-6-8-16(17(14)13-15)18(20)21-3/h6-8,15H,4-5,9-13H2,1-3H3/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]- 8-OH-DPAT binding to 5-HT1A-receptor from rat cerebral cortex membranes				Bioorg Med Chem Lett 1: 257-262 (1991) Article DOI: 10.1016/S0960-894X(01)81038-6 BindingDB Entry DOI: 10.7270/Q2416X0N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50030024 (((R)-8-Phenyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-...) Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(-c3ccccc3)c2C1 Show InChI InChI=1S/C22H29N/c1-3-15-23(16-4-2)20-14-13-19-11-8-12-21(22(19)17-20)18-9-6-5-7-10-18/h5-12,20H,3-4,13-17H2,1-2H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]- 8-OH-DPAT binding to 5-HT1A-receptor from rat cerebral cortex membranes				Bioorg Med Chem Lett 1: 257-262 (1991) Article DOI: 10.1016/S0960-894X(01)81038-6 BindingDB Entry DOI: 10.7270/Q2416X0N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50030003 (CHEMBL88994 | Trifluoro-methanesulfonic acid (S)-7...) Show SMILES CCCN(CCC)[C@H]1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1 Show InChI InChI=1S/C17H24F3NO3S/c1-3-10-21(11-4-2)14-9-8-13-6-5-7-16(15(13)12-14)24-25(22,23)17(18,19)20/h5-7,14H,3-4,8-12H2,1-2H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]- 8-OH-DPAT binding to 5-HT1A-receptor from rat cerebral cortex membranes				Bioorg Med Chem Lett 1: 257-262 (1991) Article DOI: 10.1016/S0960-894X(01)81038-6 BindingDB Entry DOI: 10.7270/Q2416X0N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50030009 (CHEMBL88157 | Dipropyl-(1,2,3,4-tetrahydro-naphtha...) Show SMILES CCCN(CCC)[C@@H]1CCc2ccccc2C1 Show InChI InChI=1S/C16H25N/c1-3-11-17(12-4-2)16-10-9-14-7-5-6-8-15(14)13-16/h5-8,16H,3-4,9-13H2,1-2H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]- 8-OH-DPAT binding to 5-HT1A-receptor from rat cerebral cortex membranes				Bioorg Med Chem Lett 1: 257-262 (1991) Article DOI: 10.1016/S0960-894X(01)81038-6 BindingDB Entry DOI: 10.7270/Q2416X0N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50030000 (((S)-8-Phenyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-...) Show SMILES CCCN(CCC)[C@H]1CCc2cccc(-c3ccccc3)c2C1 Show InChI InChI=1S/C22H29N/c1-3-15-23(16-4-2)20-14-13-19-11-8-12-21(22(19)17-20)18-9-6-5-7-10-18/h5-12,20H,3-4,13-17H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]- 8-OH-DPAT binding to 5-HT1A-receptor from rat cerebral cortex membranes				Bioorg Med Chem Lett 1: 257-262 (1991) Article DOI: 10.1016/S0960-894X(01)81038-6 BindingDB Entry DOI: 10.7270/Q2416X0N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50030014 (((R)-8-Methyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-...) Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(C)c2C1 Show InChI InChI=1S/C17H27N/c1-4-11-18(12-5-2)16-10-9-15-8-6-7-14(3)17(15)13-16/h6-8,16H,4-5,9-13H2,1-3H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]- 8-OH-DPAT binding to 5-HT1A-receptor from rat cerebral cortex membranes				Bioorg Med Chem Lett 1: 257-262 (1991) Article DOI: 10.1016/S0960-894X(01)81038-6 BindingDB Entry DOI: 10.7270/Q2416X0N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50030021 (CHEMBL88504 | Dipropyl-(1,2,3,4-tetrahydro-naphtha...) Show SMILES CCCN(CCC)[C@H]1CCc2ccccc2C1 Show InChI InChI=1S/C16H25N/c1-3-11-17(12-4-2)16-10-9-14-7-5-6-8-15(14)13-16/h5-8,16H,3-4,9-13H2,1-2H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]- 8-OH-DPAT binding to 5-HT1A-receptor from rat cerebral cortex membranes				Bioorg Med Chem Lett 1: 257-262 (1991) Article DOI: 10.1016/S0960-894X(01)81038-6 BindingDB Entry DOI: 10.7270/Q2416X0N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50030011 (((S)-8-Methyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-...) Show SMILES CCCN(CCC)[C@H]1CCc2cccc(C)c2C1 Show InChI InChI=1S/C17H27N/c1-4-11-18(12-5-2)16-10-9-15-8-6-7-14(3)17(15)13-16/h6-8,16H,4-5,9-13H2,1-3H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]- 8-OH-DPAT binding to 5-HT1A-receptor from rat cerebral cortex membranes				Bioorg Med Chem Lett 1: 257-262 (1991) Article DOI: 10.1016/S0960-894X(01)81038-6 BindingDB Entry DOI: 10.7270/Q2416X0N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50030018 (7-Dipropylamino-5,6,7,8-tetrahydro-naphthalene-1-c...) Show SMILES CCCN(CCC)C1CCc2cccc(C(O)=O)c2C1 Show InChI InChI=1S/C17H25NO2/c1-3-10-18(11-4-2)14-9-8-13-6-5-7-15(17(19)20)16(13)12-14/h5-7,14H,3-4,8-12H2,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	>300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]- 8-OH-DPAT binding to 5-HT1A-receptor from rat cerebral cortex membranes				Bioorg Med Chem Lett 1: 257-262 (1991) Article DOI: 10.1016/S0960-894X(01)81038-6 BindingDB Entry DOI: 10.7270/Q2416X0N
					More data for this Ligand-Target Pair