Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50014429   

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))	BDBM50026926 (8-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C24H35N3O3/c1-30-21-9-3-2-8-20(21)26-16-14-25(15-17-26)12-6-7-13-27-22(28)18-24(19-23(27)29)10-4-5-11-24/h2-3,8-9H,4-7,10-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50142638 (8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-pentyl]-8-a...) Show SMILES CC(CCCN1C(=O)CC2(CCCC2)CC1=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C22H33N5O2/c1-18(25-12-14-26(15-13-25)21-23-9-5-10-24-21)6-4-11-27-19(28)16-22(17-20(27)29)7-2-3-8-22/h5,9-10,18H,2-4,6-8,11-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50142640 (8-{3-Hydroxy-4-[4-(2-methoxy-phenyl)-piperazin-1-y...) Show SMILES COc1ccccc1N1CCN(CC(O)CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C24H35N3O4/c1-31-21-7-3-2-6-20(21)26-14-12-25(13-15-26)18-19(28)8-11-27-22(29)16-24(17-23(27)30)9-4-5-10-24/h2-3,6-7,19,28H,4-5,8-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50026924 (8-[4-(4-Phenyl-piperazin-1-yl)-butyl]-8-aza-spiro[...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C23H33N3O2/c27-21-18-23(10-4-5-11-23)19-22(28)26(21)13-7-6-12-24-14-16-25(17-15-24)20-8-2-1-3-9-20/h1-3,8-9H,4-7,10-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50001859 ((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50142643 (8-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-...) Show SMILES CC(CCCN1C(=O)CC2(CCCC2)CC1=O)N1CCN(CC1)c1ncc(F)cn1 Show InChI InChI=1S/C22H32FN5O2/c1-17(26-9-11-27(12-10-26)21-24-15-18(23)16-25-21)5-4-8-28-19(29)13-22(14-20(28)30)6-2-3-7-22/h15-17H,2-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50019422 (2-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-isoi...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)c2ccccc12 Show InChI InChI=1S/C20H23N5O2/c26-18-16-6-1-2-7-17(16)19(27)25(18)11-4-3-10-23-12-14-24(15-13-23)20-21-8-5-9-22-20/h1-2,5-9H,3-4,10-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50142649 (8-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-...) Show SMILES Fc1cnc(nc1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H30FN5O2/c22-17-15-23-20(24-16-17)26-11-9-25(10-12-26)7-3-4-8-27-18(28)13-21(14-19(27)29)5-1-2-6-21/h15-16H,1-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50142647 (8-{4-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-butyl}-8...) Show SMILES Fc1ccc(cc1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C23H32FN3O2/c24-19-5-7-20(8-6-19)26-15-13-25(14-16-26)11-3-4-12-27-21(28)17-23(18-22(27)29)9-1-2-10-23/h5-8H,1-4,9-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50142639 (8-{4-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-3-hydrox...) Show SMILES OC(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C23H32FN3O3/c24-18-3-5-19(6-4-18)26-13-11-25(12-14-26)17-20(28)7-10-27-21(29)15-23(16-22(27)30)8-1-2-9-23/h3-6,20,28H,1-2,7-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50142648 (1-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-...) Show SMILES CC(CCCN1C(=O)CC(C)(C)CC1=O)N1CCN(CC1)c1ncc(F)cn1 Show InChI InChI=1S/C20H30FN5O2/c1-15(5-4-6-26-17(27)11-20(2,3)12-18(26)28)24-7-9-25(10-8-24)19-22-13-16(21)14-23-19/h13-15H,4-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50142642 (8-{4-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-pentyl}-...) Show SMILES CC(CCCN1C(=O)CC2(CCCC2)CC1=O)N1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C24H34FN3O2/c1-19(26-13-15-27(16-14-26)21-8-6-20(25)7-9-21)5-4-12-28-22(29)17-24(18-23(28)30)10-2-3-11-24/h6-9,19H,2-5,10-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50005132 (4,4-Dimethyl-1-[4-(4-pyrimidin-2-yl-piperazin-1-yl...) Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C1 Show InChI InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50142650 (1-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-...) Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ncc(F)cn2)C(=O)C1 Show InChI InChI=1S/C19H28FN5O2/c1-19(2)11-16(26)25(17(27)12-19)6-4-3-5-23-7-9-24(10-8-23)18-21-13-15(20)14-22-18/h13-14H,3-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50142636 (2-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-...) Show SMILES CC(CCCN1C(=O)c2ccccc2C1=O)N1CCN(CC1)c1ncc(F)cn1 Show InChI InChI=1S/C21H24FN5O2/c1-15(25-9-11-26(12-10-25)21-23-13-16(22)14-24-21)5-4-8-27-19(28)17-6-2-3-7-18(17)20(27)29/h2-3,6-7,13-15H,4-5,8-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50142644 (2-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-...) Show SMILES Fc1cnc(nc1)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 Show InChI InChI=1S/C20H22FN5O2/c21-15-13-22-20(23-14-15)25-11-9-24(10-12-25)7-3-4-8-26-18(27)16-5-1-2-6-17(16)19(26)28/h1-2,5-6,13-14H,3-4,7-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50142641 (8-[4-(2,3,5,6-Tetrahydro-[1,2']bipyrazinyl-4-yl)-b...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1cnccn1 Show InChI InChI=1S/C21H31N5O2/c27-19-15-21(5-1-2-6-21)16-20(28)26(19)10-4-3-9-24-11-13-25(14-12-24)18-17-22-7-8-23-18/h7-8,17H,1-6,9-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50142634 (8-[3,3-Dimethyl-4-(4-pyrimidin-2-yl-piperazin-1-yl...) Show SMILES CC(C)(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C23H35N5O2/c1-22(2,18-26-12-14-27(15-13-26)21-24-9-5-10-25-21)8-11-28-19(29)16-23(17-20(28)30)6-3-4-7-23/h5,9-10H,3-4,6-8,11-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50142637 (8-[3-Hydroxy-4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...) Show SMILES OC(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H31N5O3/c27-17(16-24-10-12-25(13-11-24)20-22-7-3-8-23-20)4-9-26-18(28)14-21(15-19(26)29)5-1-2-6-21/h3,7-8,17,27H,1-2,4-6,9-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50142635 (8-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...) Show SMILES COc1ccc(cc1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C24H35N3O3/c1-30-21-8-6-20(7-9-21)26-16-14-25(15-17-26)12-4-5-13-27-22(28)18-24(19-23(27)29)10-2-3-11-24/h6-9H,2-5,10-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50142646 (8-[3-Hydroxy-4-(2,3,5,6-tetrahydro-[1,2']bipyrazin...) Show SMILES OC(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1cnccn1 Show InChI InChI=1S/C21H31N5O3/c27-17(16-24-9-11-25(12-10-24)18-15-22-6-7-23-18)3-8-26-19(28)13-21(14-20(26)29)4-1-2-5-21/h6-7,15,17,27H,1-5,8-14,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50142645 (8-[3-Hydroxy-3-methyl-4-(4-pyrimidin-2-yl-piperazi...) Show SMILES CC(O)(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C22H33N5O3/c1-21(30,17-25-11-13-26(14-12-25)20-23-8-4-9-24-20)7-10-27-18(28)15-22(16-19(27)29)5-2-3-6-22/h4,8-9,30H,2-3,5-7,10-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair