Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50038960   

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))	BDBM50300487 (5-(Dimethylamino)-2-[3-[4-(2-methoxyphenyl)-1-pipe...) Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)c3ccc(cc3C2=O)N(C)C)CC1 Show InChI InChI=1S/C24H30N4O3/c1-25(2)18-9-10-19-20(17-18)24(30)28(23(19)29)12-6-11-26-13-15-27(16-14-26)21-7-4-5-8-22(21)31-3/h4-5,7-10,17H,6,11-16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 52: 7892-6 (2009) Article DOI: 10.1021/jm900706d BindingDB Entry DOI: 10.7270/Q2251K3Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50300488 (5-(Dimethylamino)-2-[4-[4-(2-methoxyphenyl)-1-pipe...) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccc(cc3C2=O)N(C)C)CC1 Show InChI InChI=1S/C25H32N4O3/c1-26(2)19-10-11-20-21(18-19)25(31)29(24(20)30)13-7-6-12-27-14-16-28(17-15-27)22-8-4-5-9-23(22)32-3/h4-5,8-11,18H,6-7,12-17H2,1-3H3	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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 52: 7892-6 (2009) Article DOI: 10.1021/jm900706d BindingDB Entry DOI: 10.7270/Q2251K3Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM82517 (2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.600	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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 52: 7892-6 (2009) Article DOI: 10.1021/jm900706d BindingDB Entry DOI: 10.7270/Q2251K3Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50300485 (6-Amino-2-[5-[4-(2-methoxyphenyl)-1-piperazinyl]pe...) Show SMILES COc1ccccc1N1CCN(CCCCCN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1 Show InChI InChI=1S/C28H32N4O3/c1-35-25-11-4-3-10-24(25)31-18-16-30(17-19-31)14-5-2-6-15-32-27(33)21-9-7-8-20-23(29)13-12-22(26(20)21)28(32)34/h3-4,7-13H,2,5-6,14-19,29H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 52: 7892-6 (2009) Article DOI: 10.1021/jm900706d BindingDB Entry DOI: 10.7270/Q2251K3Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM86708 (CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.20	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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 52: 7892-6 (2009) Article DOI: 10.1021/jm900706d BindingDB Entry DOI: 10.7270/Q2251K3Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50300484 (6-Amino-2-[4-[4-(2-methoxyphenyl)-1-piperazinyl]bu...) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1 Show InChI InChI=1S/C27H30N4O3/c1-34-24-10-3-2-9-23(24)30-17-15-29(16-18-30)13-4-5-14-31-26(32)20-8-6-7-19-22(28)12-11-21(25(19)20)27(31)33/h2-3,6-12H,4-5,13-18,28H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 52: 7892-6 (2009) Article DOI: 10.1021/jm900706d BindingDB Entry DOI: 10.7270/Q2251K3Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50300489 (5-(Dimethylamino)-2-[5-[4-(2-methoxyphenyl)-1-pipe...) Show SMILES COc1ccccc1N1CCN(CCCCCN2C(=O)c3ccc(cc3C2=O)N(C)C)CC1 Show InChI InChI=1S/C26H34N4O3/c1-27(2)20-11-12-21-22(19-20)26(32)30(25(21)31)14-8-4-7-13-28-15-17-29(18-16-28)23-9-5-6-10-24(23)33-3/h5-6,9-12,19H,4,7-8,13-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 52: 7892-6 (2009) Article DOI: 10.1021/jm900706d BindingDB Entry DOI: 10.7270/Q2251K3Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50300486 (5-(Dimethylamino)-2-[2-[4-(2-methoxyphenyl)-1-pipe...) Show SMILES COc1ccccc1N1CCN(CCN2C(=O)c3ccc(cc3C2=O)N(C)C)CC1 Show InChI InChI=1S/C23H28N4O3/c1-24(2)17-8-9-18-19(16-17)23(29)27(22(18)28)15-12-25-10-13-26(14-11-25)20-6-4-5-7-21(20)30-3/h4-9,16H,10-15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 52: 7892-6 (2009) Article DOI: 10.1021/jm900706d BindingDB Entry DOI: 10.7270/Q2251K3Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50300491 (5-(Dimethylamino)-N-[3-[4-(2-methoxyphenyl)piperaz...) Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1 Show InChI InChI=1S/C26H34N4O3S/c1-28(2)23-12-6-10-22-21(23)9-7-14-26(22)34(31,32)27-15-8-16-29-17-19-30(20-18-29)24-11-4-5-13-25(24)33-3/h4-7,9-14,27H,8,15-20H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 52: 7892-6 (2009) Article DOI: 10.1021/jm900706d BindingDB Entry DOI: 10.7270/Q2251K3Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50300482 (6-Amino-2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]et...) Show SMILES COc1ccccc1N1CCN(CCN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1 Show InChI InChI=1S/C25H26N4O3/c1-32-22-8-3-2-7-21(22)28-14-11-27(12-15-28)13-16-29-24(30)18-6-4-5-17-20(26)10-9-19(23(17)18)25(29)31/h2-10H,11-16,26H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 52: 7892-6 (2009) Article DOI: 10.1021/jm900706d BindingDB Entry DOI: 10.7270/Q2251K3Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50300493 (5-(Dimethylamino)-N-[5-[4-(2-methoxyphenyl)piperaz...) Show SMILES COc1ccccc1N1CCN(CCCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1 Show InChI InChI=1S/C28H38N4O3S/c1-30(2)25-14-9-12-24-23(25)11-10-16-28(24)36(33,34)29-17-7-4-8-18-31-19-21-32(22-20-31)26-13-5-6-15-27(26)35-3/h5-6,9-16,29H,4,7-8,17-22H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 52: 7892-6 (2009) Article DOI: 10.1021/jm900706d BindingDB Entry DOI: 10.7270/Q2251K3Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50300490 (5-(Dimethylamino)-N-[2-[4-(2-methoxyphenyl)piperaz...) Show SMILES COc1ccccc1N1CCN(CCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1 Show InChI InChI=1S/C25H32N4O3S/c1-27(2)22-11-6-9-21-20(22)8-7-13-25(21)33(30,31)26-14-15-28-16-18-29(19-17-28)23-10-4-5-12-24(23)32-3/h4-13,26H,14-19H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 52: 7892-6 (2009) Article DOI: 10.1021/jm900706d BindingDB Entry DOI: 10.7270/Q2251K3Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50300483 (6-Amino-2-[3-[4-(2-methoxyphenyl)-1-piperazinyl]pr...) Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1 Show InChI InChI=1S/C26H28N4O3/c1-33-23-9-3-2-8-22(23)29-16-14-28(15-17-29)12-5-13-30-25(31)19-7-4-6-18-21(27)11-10-20(24(18)19)26(30)32/h2-4,6-11H,5,12-17,27H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	116	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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 52: 7892-6 (2009) Article DOI: 10.1021/jm900706d BindingDB Entry DOI: 10.7270/Q2251K3Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50300492 (5-(Dimethylamino)-N-[4-[4-(2-methoxyphenyl)piperaz...) Show SMILES COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1 Show InChI InChI=1S/C27H36N4O3S/c1-29(2)24-13-8-11-23-22(24)10-9-15-27(23)35(32,33)28-16-6-7-17-30-18-20-31(21-19-30)25-12-4-5-14-26(25)34-3/h4-5,8-15,28H,6-7,16-21H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	151	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 recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins				J Med Chem 52: 7892-6 (2009) Article DOI: 10.1021/jm900706d BindingDB Entry DOI: 10.7270/Q2251K3Q
					More data for this Ligand-Target Pair