Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50038263   

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 (Homo sapiens (Human))	BDBM50373901 (CHEMBL271987) Show SMILES COc1ccccc1N1CCN(CCCCCNc2ccc3ccccc3n2)CC1 Show InChI InChI=1S/C25H32N4O/c1-30-24-12-6-5-11-23(24)29-19-17-28(18-20-29)16-8-2-7-15-26-25-14-13-21-9-3-4-10-22(21)27-25/h3-6,9-14H,2,7-8,15-20H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 51: 1492-5 (2008) Article DOI: 10.1021/jm7013919 BindingDB Entry DOI: 10.7270/Q2NG4RHP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50329675 (6-methoxy-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)...) Show SMILES COc1ccc2nc(NCCCCN3CCN(CC3)c3ccccc3OC)ccc2c1 Show InChI InChI=1S/C25H32N4O2/c1-30-21-10-11-22-20(19-21)9-12-25(27-22)26-13-5-6-14-28-15-17-29(18-16-28)23-7-3-4-8-24(23)31-2/h3-4,7-12,19H,5-6,13-18H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 51: 1492-5 (2008) Article DOI: 10.1021/jm7013919 BindingDB Entry DOI: 10.7270/Q2NG4RHP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50373895 (CHEMBL259686) Show SMILES COc1ccc2ccc(NCCCN3CCN(CC3)c3ccccc3OC)nc2c1 Show InChI InChI=1S/C24H30N4O2/c1-29-20-10-8-19-9-11-24(26-21(19)18-20)25-12-5-13-27-14-16-28(17-15-27)22-6-3-4-7-23(22)30-2/h3-4,6-11,18H,5,12-17H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 51: 1492-5 (2008) Article DOI: 10.1021/jm7013919 BindingDB Entry DOI: 10.7270/Q2NG4RHP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50373891 (CHEMBL410515) Show SMILES COc1ccccc1N1CCN(CCCCNc2ccc3cc(N)ccc3n2)CC1 Show InChI InChI=1S/C24H31N5O/c1-30-23-7-3-2-6-22(23)29-16-14-28(15-17-29)13-5-4-12-26-24-11-8-19-18-20(25)9-10-21(19)27-24/h2-3,6-11,18H,4-5,12-17,25H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 51: 1492-5 (2008) Article DOI: 10.1021/jm7013919 BindingDB Entry DOI: 10.7270/Q2NG4RHP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50373893 (CHEMBL261383) Show SMILES COc1ccc2ccc(NCCCCCN3CCN(CC3)c3ccccc3OC)nc2c1 Show InChI InChI=1S/C26H34N4O2/c1-31-22-12-10-21-11-13-26(28-23(21)20-22)27-14-6-3-7-15-29-16-18-30(19-17-29)24-8-4-5-9-25(24)32-2/h4-5,8-13,20H,3,6-7,14-19H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 51: 1492-5 (2008) Article DOI: 10.1021/jm7013919 BindingDB Entry DOI: 10.7270/Q2NG4RHP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50373892 (CHEMBL261600) Show SMILES COc1ccccc1N1CCN(CCCCNc2ccc3cc(C)ccc3n2)CC1 Show InChI InChI=1S/C25H32N4O/c1-20-9-11-22-21(19-20)10-12-25(27-22)26-13-5-6-14-28-15-17-29(18-16-28)23-7-3-4-8-24(23)30-2/h3-4,7-12,19H,5-6,13-18H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 51: 1492-5 (2008) Article DOI: 10.1021/jm7013919 BindingDB Entry DOI: 10.7270/Q2NG4RHP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50373897 (CHEMBL270750) Show SMILES COc1ccc2ccc(NCCN3CCN(CC3)c3ccccc3OC)nc2c1 Show InChI InChI=1S/C23H28N4O2/c1-28-19-9-7-18-8-10-23(25-20(18)17-19)24-11-12-26-13-15-27(16-14-26)21-5-3-4-6-22(21)29-2/h3-10,17H,11-16H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 51: 1492-5 (2008) Article DOI: 10.1021/jm7013919 BindingDB Entry DOI: 10.7270/Q2NG4RHP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50373898 (CHEMBL261824) Show SMILES COc1ccc2nc(NCCCCCN3CCN(CC3)c3ccccc3OC)ccc2c1 Show InChI InChI=1S/C26H34N4O2/c1-31-22-11-12-23-21(20-22)10-13-26(28-23)27-14-6-3-7-15-29-16-18-30(19-17-29)24-8-4-5-9-25(24)32-2/h4-5,8-13,20H,3,6-7,14-19H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 51: 1492-5 (2008) Article DOI: 10.1021/jm7013919 BindingDB Entry DOI: 10.7270/Q2NG4RHP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50373894 (CHEMBL270736) Show SMILES COc1ccc2ccc(NCCCCN3CCN(CC3)c3ccccc3OC)nc2c1 Show InChI InChI=1S/C25H32N4O2/c1-30-21-11-9-20-10-12-25(27-22(20)19-21)26-13-5-6-14-28-15-17-29(18-16-28)23-7-3-4-8-24(23)31-2/h3-4,7-12,19H,5-6,13-18H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 51: 1492-5 (2008) Article DOI: 10.1021/jm7013919 BindingDB Entry DOI: 10.7270/Q2NG4RHP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM21393 (7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...) Show SMILES CCCN(CCC)C1CCc2cccc(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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 51: 1492-5 (2008) Article DOI: 10.1021/jm7013919 BindingDB Entry DOI: 10.7270/Q2NG4RHP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50373902 (CHEMBL405228) Show SMILES COc1ccccc1N1CCN(CCCNc2ccc3ccccc3n2)CC1 Show InChI InChI=1S/C23H28N4O/c1-28-22-10-5-4-9-21(22)27-17-15-26(16-18-27)14-6-13-24-23-12-11-19-7-2-3-8-20(19)25-23/h2-5,7-12H,6,13-18H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 51: 1492-5 (2008) Article DOI: 10.1021/jm7013919 BindingDB Entry DOI: 10.7270/Q2NG4RHP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50373896 (CHEMBL259889) Show SMILES COc1ccccc1N1CCN(CCNc2ccc3cc(ccc3n2)[N+]([O-])=O)CC1 Show InChI InChI=1S/C22H25N5O3/c1-30-21-5-3-2-4-20(21)26-14-12-25(13-15-26)11-10-23-22-9-6-17-16-18(27(28)29)7-8-19(17)24-22/h2-9,16H,10-15H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 51: 1492-5 (2008) Article DOI: 10.1021/jm7013919 BindingDB Entry DOI: 10.7270/Q2NG4RHP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50373899 (CHEMBL258600) Show SMILES COc1ccc2nc(NCCCN3CCN(CC3)c3ccccc3OC)ccc2c1 Show InChI InChI=1S/C24H30N4O2/c1-29-20-9-10-21-19(18-20)8-11-24(26-21)25-12-5-13-27-14-16-28(17-15-27)22-6-3-4-7-23(22)30-2/h3-4,6-11,18H,5,12-17H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 51: 1492-5 (2008) Article DOI: 10.1021/jm7013919 BindingDB Entry DOI: 10.7270/Q2NG4RHP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50373900 (CHEMBL258602) Show SMILES COc1ccc2nc(NCCN3CCN(CC3)c3ccccc3OC)ccc2c1 Show InChI InChI=1S/C23H28N4O2/c1-28-19-8-9-20-18(17-19)7-10-23(25-20)24-11-12-26-13-15-27(16-14-26)21-5-3-4-6-22(21)29-2/h3-10,17H,11-16H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 51: 1492-5 (2008) Article DOI: 10.1021/jm7013919 BindingDB Entry DOI: 10.7270/Q2NG4RHP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50373903 (CHEMBL259887) Show SMILES COc1ccccc1N1CCN(CCNc2ccc3ccccc3n2)CC1 Show InChI InChI=1S/C22H26N4O/c1-27-21-9-5-4-8-20(21)26-16-14-25(15-17-26)13-12-23-22-11-10-18-6-2-3-7-19(18)24-22/h2-11H,12-17H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 51: 1492-5 (2008) Article DOI: 10.1021/jm7013919 BindingDB Entry DOI: 10.7270/Q2NG4RHP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50325743 (CHEMBL271989 | N-(4-(4-(2-methoxyphenyl)piperazin-...) Show SMILES COc1ccccc1N1CCN(CCCCNc2ccc3ccccc3n2)CC1 Show InChI InChI=1S/C24H30N4O/c1-29-23-11-5-4-10-22(23)28-18-16-27(17-19-28)15-7-6-14-25-24-13-12-20-8-2-3-9-21(20)26-24/h2-5,8-13H,6-7,14-19H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 51: 1492-5 (2008) Article DOI: 10.1021/jm7013919 BindingDB Entry DOI: 10.7270/Q2NG4RHP
					More data for this Ligand-Target Pair