Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50032464   

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))	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
Università degli Studi di Bari A. Moro Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 6628-32 (2010) Article DOI: 10.1016/j.bmcl.2010.09.027 BindingDB Entry DOI: 10.7270/Q26M372M
					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
Università degli Studi di Bari A. Moro Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 6628-32 (2010) Article DOI: 10.1016/j.bmcl.2010.09.027 BindingDB Entry DOI: 10.7270/Q26M372M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50213549 (1,5-bis-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-...) Show SMILES COc1ccccc1N1CCN(CCc2cccc(OCCCCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1 Show InChI InChI=1S/C43H56N4O4/c1-48-42-18-6-4-16-40(42)46-28-24-44(25-29-46)22-20-36-12-10-14-38(34-36)50-32-8-3-9-33-51-39-15-11-13-37(35-39)21-23-45-26-30-47(31-27-45)41-17-5-7-19-43(41)49-2/h4-7,10-19,34-35H,3,8-9,20-33H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari A. Moro Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 6628-32 (2010) Article DOI: 10.1016/j.bmcl.2010.09.027 BindingDB Entry DOI: 10.7270/Q26M372M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50329676 (1-(3-methoxyphenethyl)-4-(2-methoxyphenyl)piperazi...) Show SMILES COc1cccc(CCN2CCN(CC2)c2ccccc2OC)c1 Show InChI InChI=1S/C20H26N2O2/c1-23-18-7-5-6-17(16-18)10-11-21-12-14-22(15-13-21)19-8-3-4-9-20(19)24-2/h3-9,16H,10-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari A. Moro Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 6628-32 (2010) Article DOI: 10.1016/j.bmcl.2010.09.027 BindingDB Entry DOI: 10.7270/Q26M372M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50329677 (1-(2-methoxyphenyl)-4-pentylpiperazine | CHEMBL126...) Show SMILES CCCCCN1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C16H26N2O/c1-3-4-7-10-17-11-13-18(14-12-17)15-8-5-6-9-16(15)19-2/h5-6,8-9H,3-4,7,10-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari A. Moro Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 6628-32 (2010) Article DOI: 10.1016/j.bmcl.2010.09.027 BindingDB Entry DOI: 10.7270/Q26M372M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50329678 (2-(2-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)vinyl...) Show SMILES CCN(CC)c1ccc2cc(\C=C\C3=[N+](CCCCCC(=O)Oc4cccc(CCN5CCN(CC5)c5ccccc5OC)c4)c4ccccc4C3(C)C)c(=O)oc2c1 |c:13| Show InChI InChI=1S/C50H59N4O5/c1-6-52(7-2)40-25-23-38-35-39(49(56)59-46(38)36-40)24-26-47-50(3,4)42-18-10-11-19-43(42)54(47)28-14-8-9-22-48(55)58-41-17-15-16-37(34-41)27-29-51-30-32-53(33-31-51)44-20-12-13-21-45(44)57-5/h10-13,15-21,23-26,34-36H,6-9,14,22,27-33H2,1-5H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari A. Moro Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 6628-32 (2010) Article DOI: 10.1016/j.bmcl.2010.09.027 BindingDB Entry DOI: 10.7270/Q26M372M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50329679 (CHEMBL1269291 | sodium 4-(2-(2-(3-(2-(3,3-dimethyl...) Show SMILES [#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c2ccc(cc2)\[S+]=[#6]2\[#6](\[#6]-[#6]-[#6]\[#6]\2=[#6]/[#6]=[#6]2/[#7](-[#6]-[#6]-[#6]-[#6]S([#8-])(=O)=O)-c3ccccc3C2([#6])[#6])=[#6]\[#6]=[#6]2\[#7](-[#6]-[#6]-[#6]-[#6]S([#8-])(=O)=O)-c3ccccc3C2([#6])[#6])-[#6]-[#6]-1 Show InChI InChI=1S/C61H77N5O8S3/c1-60(2)50-22-7-9-24-52(50)65(38-15-17-44-76(68,69)70)56(60)34-30-46-20-19-21-47(31-35-57-61(3,4)51-23-8-10-25-53(51)66(57)39-16-18-45-77(71,72)73)58(46)75-49-32-28-48(29-33-49)59(67)62-36-13-6-14-37-63-40-42-64(43-41-63)54-26-11-12-27-55(54)74-5/h7-12,22-35H,6,13-21,36-45H2,1-5H3,(H2-,62,67,68,69,70,71,72,73)/p-1/b46-30+,47-31+,56-34+,57-35+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	65.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari A. Moro Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 6628-32 (2010) Article DOI: 10.1016/j.bmcl.2010.09.027 BindingDB Entry DOI: 10.7270/Q26M372M
					More data for this Ligand-Target Pair