Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'knol' and Initial = 'rj'   

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))	BDBM50084855 (CHEMBL423361 | Cyclohexanecarboxylic acid {2-[4-(2...) Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C24H32N4O2/c29-22-11-5-4-10-21(22)27-17-14-26(15-18-27)16-19-28(23-12-6-7-13-25-23)24(30)20-8-2-1-3-9-20/h4-7,10-13,20,29H,1-3,8-9,14-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					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	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343896 (CHEMBL1774997 | N-(2-(4-(2-Hydroxyphenyl)piperazin...) Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)C3)c2ccccn2)CC1 Show InChI InChI=1S/C25H31IN4O2/c26-25-10-8-24(19-25,9-11-25)23(32)30(22-7-3-4-12-27-22)18-15-28-13-16-29(17-14-28)20-5-1-2-6-21(20)31/h1-7,12,31H,8-11,13-19H2	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
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343894 (CHEMBL1774995 | N-(2-(4-(2-Hydroxyphenyl)piperazin...) Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(16.06,-35.05,;15.3,-36.38,;13.75,-36.39,;12.99,-37.73,;13.77,-39.05,;15.31,-39.05,;16.08,-37.72,;17.61,-37.71,;18.38,-39.05,;19.91,-39.05,;20.69,-37.72,;22.22,-37.72,;22.99,-36.39,;24.53,-36.39,;25.3,-35.06,;26.84,-35.06,;24.54,-33.72,;22.6,-33.6,;22.86,-31.67,;24.8,-31.78,;24.28,-31.26,;24.04,-33.21,;22.1,-33.08,;22.36,-31.14,;21.37,-29.96,;25.3,-37.72,;26.83,-37.71,;27.6,-39.06,;26.82,-40.39,;25.28,-40.38,;24.52,-39.05,;19.91,-36.38,;18.37,-36.38,)| Show InChI InChI=1S/C26H27IN4O2/c27-26-21-18-22(26)20-23(26)19(21)25(18,20)24(33)31(17-7-3-4-8-28-17)14-11-29-9-12-30(13-10-29)15-5-1-2-6-16(15)32/h1-8,18-23,32H,9-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343892 (4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)C3)c2ccccn2)CC1 Show InChI InChI=1S/C26H33IN4O2/c1-33-22-7-3-2-6-21(22)30-17-14-29(15-18-30)16-19-31(23-8-4-5-13-28-23)24(32)25-9-11-26(27,20-25)12-10-25/h2-8,13H,9-12,14-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343890 (4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(-6.86,-9.06,;-6.09,-10.39,;-6.85,-11.73,;-8.4,-11.74,;-9.16,-13.07,;-8.38,-14.4,;-6.84,-14.4,;-6.07,-13.06,;-4.53,-13.06,;-3.77,-14.39,;-2.23,-14.39,;-1.46,-13.06,;.08,-13.06,;.85,-11.73,;2.39,-11.73,;3.16,-10.4,;4.7,-10.4,;2.39,-9.07,;.46,-8.94,;.71,-7.01,;2.65,-7.12,;2.13,-6.61,;1.89,-8.55,;-.05,-8.43,;.21,-6.48,;-.77,-5.3,;3.16,-13.07,;4.68,-13.06,;5.45,-14.4,;4.67,-15.73,;3.14,-15.72,;2.37,-14.39,;-2.23,-11.73,;-3.78,-11.73,)| Show InChI InChI=1S/C27H29IN4O2/c1-34-17-7-3-2-6-16(17)31-13-10-30(11-14-31)12-15-32(18-8-4-5-9-29-18)25(33)26-19-22-20(26)24-21(26)23(19)27(22,24)28/h2-9,19-24H,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343891 (4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)CC3)c2ccccn2)CC1 Show InChI InChI=1S/C27H35IN4O2/c1-34-23-7-3-2-6-22(23)31-19-16-30(17-20-31)18-21-32(24-8-4-5-15-29-24)25(33)26-9-12-27(28,13-10-26)14-11-26/h2-8,15H,9-14,16-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343894 (CHEMBL1774995 | N-(2-(4-(2-Hydroxyphenyl)piperazin...) Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(16.06,-35.05,;15.3,-36.38,;13.75,-36.39,;12.99,-37.73,;13.77,-39.05,;15.31,-39.05,;16.08,-37.72,;17.61,-37.71,;18.38,-39.05,;19.91,-39.05,;20.69,-37.72,;22.22,-37.72,;22.99,-36.39,;24.53,-36.39,;25.3,-35.06,;26.84,-35.06,;24.54,-33.72,;22.6,-33.6,;22.86,-31.67,;24.8,-31.78,;24.28,-31.26,;24.04,-33.21,;22.1,-33.08,;22.36,-31.14,;21.37,-29.96,;25.3,-37.72,;26.83,-37.71,;27.6,-39.06,;26.82,-40.39,;25.28,-40.38,;24.52,-39.05,;19.91,-36.38,;18.37,-36.38,)| Show InChI InChI=1S/C26H27IN4O2/c27-26-21-18-22(26)20-23(26)19(21)25(18,20)24(33)31(17-7-3-4-8-28-17)14-11-29-9-12-30(13-10-29)15-5-1-2-6-16(15)32/h1-8,18-23,32H,9-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of 5HT1A receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343893 (CHEMBL1774994 | N-(2-(4-(2-Hydroxyphenyl)piperazin...) Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(C2)C(I)C(C4)C3)c2ccccn2)CC1 |TLB:19:18:21.20.22:26,THB:23:22:26:17.18.25,22:20:17:24.26.25,22:24:17:21.20.19,(-5.82,-35.6,;-6.58,-36.94,;-8.13,-36.95,;-8.89,-38.28,;-8.12,-39.61,;-6.58,-39.61,;-5.81,-38.27,;-4.27,-38.27,;-3.5,-39.6,;-1.97,-39.6,;-1.2,-38.27,;.34,-38.27,;1.11,-36.94,;2.65,-36.94,;3.42,-35.61,;4.96,-35.61,;2.65,-34.27,;3.99,-33.74,;3.34,-31.94,;3.75,-30.19,;2.67,-31.61,;3.43,-32.94,;1.13,-31.6,;.37,-30.27,;.36,-32.93,;1.83,-31.94,;1.12,-34.27,;3.42,-38.27,;4.95,-38.27,;5.71,-39.61,;4.94,-40.94,;3.4,-40.93,;2.64,-39.6,;-1.97,-36.94,;-3.51,-36.93,)| Show InChI InChI=1S/C28H35IN4O2/c29-26-21-15-20-16-22(26)19-28(17-20,18-21)27(35)33(25-7-3-4-8-30-25)14-11-31-9-12-32(13-10-31)23-5-1-2-6-24(23)34/h1-8,20-22,26,34H,9-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343895 (CHEMBL1774996 | N-(2-(4-(2-Hydroxyphenyl)piperazin...) Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)CC3)c2ccccn2)CC1 Show InChI InChI=1S/C26H33IN4O2/c27-26-11-8-25(9-12-26,10-13-26)24(33)31(23-7-3-4-14-28-23)20-17-29-15-18-30(19-16-29)21-5-1-2-6-22(21)32/h1-7,14,32H,8-13,15-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343889 (3-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(CC(I)(C4)C2)C3)c2ccccn2)CC1 |TLB:24:23:18:27.21.20,24:23:27:19.18.20,25:23:27:19.18.20,25:19:27:26.23.22,THB:22:21:26.23.25:18| Show InChI InChI=1S/C29H37IN4O2/c1-36-25-7-3-2-6-24(25)33-13-10-32(11-14-33)12-15-34(26-8-4-5-9-31-26)27(35)28-17-22-16-23(18-28)20-29(30,19-22)21-28/h2-9,22-23H,10-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343890 (4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(-6.86,-9.06,;-6.09,-10.39,;-6.85,-11.73,;-8.4,-11.74,;-9.16,-13.07,;-8.38,-14.4,;-6.84,-14.4,;-6.07,-13.06,;-4.53,-13.06,;-3.77,-14.39,;-2.23,-14.39,;-1.46,-13.06,;.08,-13.06,;.85,-11.73,;2.39,-11.73,;3.16,-10.4,;4.7,-10.4,;2.39,-9.07,;.46,-8.94,;.71,-7.01,;2.65,-7.12,;2.13,-6.61,;1.89,-8.55,;-.05,-8.43,;.21,-6.48,;-.77,-5.3,;3.16,-13.07,;4.68,-13.06,;5.45,-14.4,;4.67,-15.73,;3.14,-15.72,;2.37,-14.39,;-2.23,-11.73,;-3.78,-11.73,)| Show InChI InChI=1S/C27H29IN4O2/c1-34-17-7-3-2-6-16(17)31-13-10-30(11-14-31)12-15-32(18-8-4-5-9-29-18)25(33)26-19-22-20(26)24-21(26)23(19)27(22,24)28/h2-9,19-24H,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of 5HT1A receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					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
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of 5HT1A receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
D(4) dopamine receptor (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of dopamine D4 receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of adrenergic alpha1A receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of 5HT1B receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50343894 (CHEMBL1774995 | N-(2-(4-(2-Hydroxyphenyl)piperazin...) Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(16.06,-35.05,;15.3,-36.38,;13.75,-36.39,;12.99,-37.73,;13.77,-39.05,;15.31,-39.05,;16.08,-37.72,;17.61,-37.71,;18.38,-39.05,;19.91,-39.05,;20.69,-37.72,;22.22,-37.72,;22.99,-36.39,;24.53,-36.39,;25.3,-35.06,;26.84,-35.06,;24.54,-33.72,;22.6,-33.6,;22.86,-31.67,;24.8,-31.78,;24.28,-31.26,;24.04,-33.21,;22.1,-33.08,;22.36,-31.14,;21.37,-29.96,;25.3,-37.72,;26.83,-37.71,;27.6,-39.06,;26.82,-40.39,;25.28,-40.38,;24.52,-39.05,;19.91,-36.38,;18.37,-36.38,)| Show InChI InChI=1S/C26H27IN4O2/c27-26-21-18-22(26)20-23(26)19(21)25(18,20)24(33)31(17-7-3-4-8-28-17)14-11-29-9-12-30(13-10-29)15-5-1-2-6-16(15)32/h1-8,18-23,32H,9-14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of adrenergic alpha1B receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50343894 (CHEMBL1774995 | N-(2-(4-(2-Hydroxyphenyl)piperazin...) Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(16.06,-35.05,;15.3,-36.38,;13.75,-36.39,;12.99,-37.73,;13.77,-39.05,;15.31,-39.05,;16.08,-37.72,;17.61,-37.71,;18.38,-39.05,;19.91,-39.05,;20.69,-37.72,;22.22,-37.72,;22.99,-36.39,;24.53,-36.39,;25.3,-35.06,;26.84,-35.06,;24.54,-33.72,;22.6,-33.6,;22.86,-31.67,;24.8,-31.78,;24.28,-31.26,;24.04,-33.21,;22.1,-33.08,;22.36,-31.14,;21.37,-29.96,;25.3,-37.72,;26.83,-37.71,;27.6,-39.06,;26.82,-40.39,;25.28,-40.38,;24.52,-39.05,;19.91,-36.38,;18.37,-36.38,)| Show InChI InChI=1S/C26H27IN4O2/c27-26-21-18-22(26)20-23(26)19(21)25(18,20)24(33)31(17-7-3-4-8-28-17)14-11-29-9-12-30(13-10-29)15-5-1-2-6-16(15)32/h1-8,18-23,32H,9-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of 5HT7 receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50343890 (4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(-6.86,-9.06,;-6.09,-10.39,;-6.85,-11.73,;-8.4,-11.74,;-9.16,-13.07,;-8.38,-14.4,;-6.84,-14.4,;-6.07,-13.06,;-4.53,-13.06,;-3.77,-14.39,;-2.23,-14.39,;-1.46,-13.06,;.08,-13.06,;.85,-11.73,;2.39,-11.73,;3.16,-10.4,;4.7,-10.4,;2.39,-9.07,;.46,-8.94,;.71,-7.01,;2.65,-7.12,;2.13,-6.61,;1.89,-8.55,;-.05,-8.43,;.21,-6.48,;-.77,-5.3,;3.16,-13.07,;4.68,-13.06,;5.45,-14.4,;4.67,-15.73,;3.14,-15.72,;2.37,-14.39,;-2.23,-11.73,;-3.78,-11.73,)| Show InChI InChI=1S/C27H29IN4O2/c1-34-17-7-3-2-6-16(17)31-13-10-30(11-14-31)12-15-32(18-8-4-5-9-29-18)25(33)26-19-22-20(26)24-21(26)23(19)27(22,24)28/h2-9,19-24H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of adrenergic alpha1A receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50343890 (4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(-6.86,-9.06,;-6.09,-10.39,;-6.85,-11.73,;-8.4,-11.74,;-9.16,-13.07,;-8.38,-14.4,;-6.84,-14.4,;-6.07,-13.06,;-4.53,-13.06,;-3.77,-14.39,;-2.23,-14.39,;-1.46,-13.06,;.08,-13.06,;.85,-11.73,;2.39,-11.73,;3.16,-10.4,;4.7,-10.4,;2.39,-9.07,;.46,-8.94,;.71,-7.01,;2.65,-7.12,;2.13,-6.61,;1.89,-8.55,;-.05,-8.43,;.21,-6.48,;-.77,-5.3,;3.16,-13.07,;4.68,-13.06,;5.45,-14.4,;4.67,-15.73,;3.14,-15.72,;2.37,-14.39,;-2.23,-11.73,;-3.78,-11.73,)| Show InChI InChI=1S/C27H29IN4O2/c1-34-17-7-3-2-6-16(17)31-13-10-30(11-14-31)12-15-32(18-8-4-5-9-29-18)25(33)26-19-22-20(26)24-21(26)23(19)27(22,24)28/h2-9,19-24H,10-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of adrenergic alpha1D receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50343890 (4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(-6.86,-9.06,;-6.09,-10.39,;-6.85,-11.73,;-8.4,-11.74,;-9.16,-13.07,;-8.38,-14.4,;-6.84,-14.4,;-6.07,-13.06,;-4.53,-13.06,;-3.77,-14.39,;-2.23,-14.39,;-1.46,-13.06,;.08,-13.06,;.85,-11.73,;2.39,-11.73,;3.16,-10.4,;4.7,-10.4,;2.39,-9.07,;.46,-8.94,;.71,-7.01,;2.65,-7.12,;2.13,-6.61,;1.89,-8.55,;-.05,-8.43,;.21,-6.48,;-.77,-5.3,;3.16,-13.07,;4.68,-13.06,;5.45,-14.4,;4.67,-15.73,;3.14,-15.72,;2.37,-14.39,;-2.23,-11.73,;-3.78,-11.73,)| Show InChI InChI=1S/C27H29IN4O2/c1-34-17-7-3-2-6-16(17)31-13-10-30(11-14-31)12-15-32(18-8-4-5-9-29-18)25(33)26-19-22-20(26)24-21(26)23(19)27(22,24)28/h2-9,19-24H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of 5HT1B receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50343890 (4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(-6.86,-9.06,;-6.09,-10.39,;-6.85,-11.73,;-8.4,-11.74,;-9.16,-13.07,;-8.38,-14.4,;-6.84,-14.4,;-6.07,-13.06,;-4.53,-13.06,;-3.77,-14.39,;-2.23,-14.39,;-1.46,-13.06,;.08,-13.06,;.85,-11.73,;2.39,-11.73,;3.16,-10.4,;4.7,-10.4,;2.39,-9.07,;.46,-8.94,;.71,-7.01,;2.65,-7.12,;2.13,-6.61,;1.89,-8.55,;-.05,-8.43,;.21,-6.48,;-.77,-5.3,;3.16,-13.07,;4.68,-13.06,;5.45,-14.4,;4.67,-15.73,;3.14,-15.72,;2.37,-14.39,;-2.23,-11.73,;-3.78,-11.73,)| Show InChI InChI=1S/C27H29IN4O2/c1-34-17-7-3-2-6-16(17)31-13-10-30(11-14-31)12-15-32(18-8-4-5-9-29-18)25(33)26-19-22-20(26)24-21(26)23(19)27(22,24)28/h2-9,19-24H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of 5HT7 receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50343894 (CHEMBL1774995 | N-(2-(4-(2-Hydroxyphenyl)piperazin...) Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(16.06,-35.05,;15.3,-36.38,;13.75,-36.39,;12.99,-37.73,;13.77,-39.05,;15.31,-39.05,;16.08,-37.72,;17.61,-37.71,;18.38,-39.05,;19.91,-39.05,;20.69,-37.72,;22.22,-37.72,;22.99,-36.39,;24.53,-36.39,;25.3,-35.06,;26.84,-35.06,;24.54,-33.72,;22.6,-33.6,;22.86,-31.67,;24.8,-31.78,;24.28,-31.26,;24.04,-33.21,;22.1,-33.08,;22.36,-31.14,;21.37,-29.96,;25.3,-37.72,;26.83,-37.71,;27.6,-39.06,;26.82,-40.39,;25.28,-40.38,;24.52,-39.05,;19.91,-36.38,;18.37,-36.38,)| Show InChI InChI=1S/C26H27IN4O2/c27-26-21-18-22(26)20-23(26)19(21)25(18,20)24(33)31(17-7-3-4-8-28-17)14-11-29-9-12-30(13-10-29)15-5-1-2-6-16(15)32/h1-8,18-23,32H,9-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	176	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of adrenergic alpha1A receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50343894 (CHEMBL1774995 | N-(2-(4-(2-Hydroxyphenyl)piperazin...) Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(16.06,-35.05,;15.3,-36.38,;13.75,-36.39,;12.99,-37.73,;13.77,-39.05,;15.31,-39.05,;16.08,-37.72,;17.61,-37.71,;18.38,-39.05,;19.91,-39.05,;20.69,-37.72,;22.22,-37.72,;22.99,-36.39,;24.53,-36.39,;25.3,-35.06,;26.84,-35.06,;24.54,-33.72,;22.6,-33.6,;22.86,-31.67,;24.8,-31.78,;24.28,-31.26,;24.04,-33.21,;22.1,-33.08,;22.36,-31.14,;21.37,-29.96,;25.3,-37.72,;26.83,-37.71,;27.6,-39.06,;26.82,-40.39,;25.28,-40.38,;24.52,-39.05,;19.91,-36.38,;18.37,-36.38,)| Show InChI InChI=1S/C26H27IN4O2/c27-26-21-18-22(26)20-23(26)19(21)25(18,20)24(33)31(17-7-3-4-8-28-17)14-11-29-9-12-30(13-10-29)15-5-1-2-6-16(15)32/h1-8,18-23,32H,9-14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of adrenergic alpha1D receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50343890 (4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(-6.86,-9.06,;-6.09,-10.39,;-6.85,-11.73,;-8.4,-11.74,;-9.16,-13.07,;-8.38,-14.4,;-6.84,-14.4,;-6.07,-13.06,;-4.53,-13.06,;-3.77,-14.39,;-2.23,-14.39,;-1.46,-13.06,;.08,-13.06,;.85,-11.73,;2.39,-11.73,;3.16,-10.4,;4.7,-10.4,;2.39,-9.07,;.46,-8.94,;.71,-7.01,;2.65,-7.12,;2.13,-6.61,;1.89,-8.55,;-.05,-8.43,;.21,-6.48,;-.77,-5.3,;3.16,-13.07,;4.68,-13.06,;5.45,-14.4,;4.67,-15.73,;3.14,-15.72,;2.37,-14.39,;-2.23,-11.73,;-3.78,-11.73,)| Show InChI InChI=1S/C27H29IN4O2/c1-34-17-7-3-2-6-16(17)31-13-10-30(11-14-31)12-15-32(18-8-4-5-9-29-18)25(33)26-19-22-20(26)24-21(26)23(19)27(22,24)28/h2-9,19-24H,10-15H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	185	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of adrenergic alpha1B receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50343894 (CHEMBL1774995 | N-(2-(4-(2-Hydroxyphenyl)piperazin...) Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(16.06,-35.05,;15.3,-36.38,;13.75,-36.39,;12.99,-37.73,;13.77,-39.05,;15.31,-39.05,;16.08,-37.72,;17.61,-37.71,;18.38,-39.05,;19.91,-39.05,;20.69,-37.72,;22.22,-37.72,;22.99,-36.39,;24.53,-36.39,;25.3,-35.06,;26.84,-35.06,;24.54,-33.72,;22.6,-33.6,;22.86,-31.67,;24.8,-31.78,;24.28,-31.26,;24.04,-33.21,;22.1,-33.08,;22.36,-31.14,;21.37,-29.96,;25.3,-37.72,;26.83,-37.71,;27.6,-39.06,;26.82,-40.39,;25.28,-40.38,;24.52,-39.05,;19.91,-36.38,;18.37,-36.38,)| Show InChI InChI=1S/C26H27IN4O2/c27-26-21-18-22(26)20-23(26)19(21)25(18,20)24(33)31(17-7-3-4-8-28-17)14-11-29-9-12-30(13-10-29)15-5-1-2-6-16(15)32/h1-8,18-23,32H,9-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	272	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of 5HT1B receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (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	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	322	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of adrenergic alpha1B receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50343890 (4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(-6.86,-9.06,;-6.09,-10.39,;-6.85,-11.73,;-8.4,-11.74,;-9.16,-13.07,;-8.38,-14.4,;-6.84,-14.4,;-6.07,-13.06,;-4.53,-13.06,;-3.77,-14.39,;-2.23,-14.39,;-1.46,-13.06,;.08,-13.06,;.85,-11.73,;2.39,-11.73,;3.16,-10.4,;4.7,-10.4,;2.39,-9.07,;.46,-8.94,;.71,-7.01,;2.65,-7.12,;2.13,-6.61,;1.89,-8.55,;-.05,-8.43,;.21,-6.48,;-.77,-5.3,;3.16,-13.07,;4.68,-13.06,;5.45,-14.4,;4.67,-15.73,;3.14,-15.72,;2.37,-14.39,;-2.23,-11.73,;-3.78,-11.73,)| Show InChI InChI=1S/C27H29IN4O2/c1-34-17-7-3-2-6-16(17)31-13-10-30(11-14-31)12-15-32(18-8-4-5-9-29-18)25(33)26-19-22-20(26)24-21(26)23(19)27(22,24)28/h2-9,19-24H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	329	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of dopamine D4 receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50343894 (CHEMBL1774995 | N-(2-(4-(2-Hydroxyphenyl)piperazin...) Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(16.06,-35.05,;15.3,-36.38,;13.75,-36.39,;12.99,-37.73,;13.77,-39.05,;15.31,-39.05,;16.08,-37.72,;17.61,-37.71,;18.38,-39.05,;19.91,-39.05,;20.69,-37.72,;22.22,-37.72,;22.99,-36.39,;24.53,-36.39,;25.3,-35.06,;26.84,-35.06,;24.54,-33.72,;22.6,-33.6,;22.86,-31.67,;24.8,-31.78,;24.28,-31.26,;24.04,-33.21,;22.1,-33.08,;22.36,-31.14,;21.37,-29.96,;25.3,-37.72,;26.83,-37.71,;27.6,-39.06,;26.82,-40.39,;25.28,-40.38,;24.52,-39.05,;19.91,-36.38,;18.37,-36.38,)| Show InChI InChI=1S/C26H27IN4O2/c27-26-21-18-22(26)20-23(26)19(21)25(18,20)24(33)31(17-7-3-4-8-28-17)14-11-29-9-12-30(13-10-29)15-5-1-2-6-16(15)32/h1-8,18-23,32H,9-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of dopamine D4 receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of 5HT7 receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50084855 (CHEMBL423361 | Cyclohexanecarboxylic acid {2-[4-(2...) Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C24H32N4O2/c29-22-11-5-4-10-21(22)27-17-14-26(15-18-27)16-19-28(23-12-6-7-13-25-23)24(30)20-8-2-1-3-9-20/h4-7,10-13,20,29H,1-3,8-9,14-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					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	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343896 (CHEMBL1774997 | N-(2-(4-(2-Hydroxyphenyl)piperazin...) Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)C3)c2ccccn2)CC1 Show InChI InChI=1S/C25H31IN4O2/c26-25-10-8-24(19-25,9-11-25)23(32)30(22-7-3-4-12-27-22)18-15-28-13-16-29(17-14-28)20-5-1-2-6-21(20)31/h1-7,12,31H,8-11,13-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343894 (CHEMBL1774995 | N-(2-(4-(2-Hydroxyphenyl)piperazin...) Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(16.06,-35.05,;15.3,-36.38,;13.75,-36.39,;12.99,-37.73,;13.77,-39.05,;15.31,-39.05,;16.08,-37.72,;17.61,-37.71,;18.38,-39.05,;19.91,-39.05,;20.69,-37.72,;22.22,-37.72,;22.99,-36.39,;24.53,-36.39,;25.3,-35.06,;26.84,-35.06,;24.54,-33.72,;22.6,-33.6,;22.86,-31.67,;24.8,-31.78,;24.28,-31.26,;24.04,-33.21,;22.1,-33.08,;22.36,-31.14,;21.37,-29.96,;25.3,-37.72,;26.83,-37.71,;27.6,-39.06,;26.82,-40.39,;25.28,-40.38,;24.52,-39.05,;19.91,-36.38,;18.37,-36.38,)| Show InChI InChI=1S/C26H27IN4O2/c27-26-21-18-22(26)20-23(26)19(21)25(18,20)24(33)31(17-7-3-4-8-28-17)14-11-29-9-12-30(13-10-29)15-5-1-2-6-16(15)32/h1-8,18-23,32H,9-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343892 (4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)C3)c2ccccn2)CC1 Show InChI InChI=1S/C26H33IN4O2/c1-33-22-7-3-2-6-21(22)30-17-14-29(15-18-30)16-19-31(23-8-4-5-13-28-23)24(32)25-9-11-26(27,20-25)12-10-25/h2-8,13H,9-12,14-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343890 (4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(-6.86,-9.06,;-6.09,-10.39,;-6.85,-11.73,;-8.4,-11.74,;-9.16,-13.07,;-8.38,-14.4,;-6.84,-14.4,;-6.07,-13.06,;-4.53,-13.06,;-3.77,-14.39,;-2.23,-14.39,;-1.46,-13.06,;.08,-13.06,;.85,-11.73,;2.39,-11.73,;3.16,-10.4,;4.7,-10.4,;2.39,-9.07,;.46,-8.94,;.71,-7.01,;2.65,-7.12,;2.13,-6.61,;1.89,-8.55,;-.05,-8.43,;.21,-6.48,;-.77,-5.3,;3.16,-13.07,;4.68,-13.06,;5.45,-14.4,;4.67,-15.73,;3.14,-15.72,;2.37,-14.39,;-2.23,-11.73,;-3.78,-11.73,)| Show InChI InChI=1S/C27H29IN4O2/c1-34-17-7-3-2-6-16(17)31-13-10-30(11-14-31)12-15-32(18-8-4-5-9-29-18)25(33)26-19-22-20(26)24-21(26)23(19)27(22,24)28/h2-9,19-24H,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.59	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343891 (4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)CC3)c2ccccn2)CC1 Show InChI InChI=1S/C27H35IN4O2/c1-34-23-7-3-2-6-22(23)31-19-16-30(17-20-31)18-21-32(24-8-4-5-15-29-24)25(33)26-9-12-27(28,13-10-26)14-11-26/h2-8,15H,9-14,16-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.61	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343893 (CHEMBL1774994 | N-(2-(4-(2-Hydroxyphenyl)piperazin...) Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(C2)C(I)C(C4)C3)c2ccccn2)CC1 |TLB:19:18:21.20.22:26,THB:23:22:26:17.18.25,22:20:17:24.26.25,22:24:17:21.20.19,(-5.82,-35.6,;-6.58,-36.94,;-8.13,-36.95,;-8.89,-38.28,;-8.12,-39.61,;-6.58,-39.61,;-5.81,-38.27,;-4.27,-38.27,;-3.5,-39.6,;-1.97,-39.6,;-1.2,-38.27,;.34,-38.27,;1.11,-36.94,;2.65,-36.94,;3.42,-35.61,;4.96,-35.61,;2.65,-34.27,;3.99,-33.74,;3.34,-31.94,;3.75,-30.19,;2.67,-31.61,;3.43,-32.94,;1.13,-31.6,;.37,-30.27,;.36,-32.93,;1.83,-31.94,;1.12,-34.27,;3.42,-38.27,;4.95,-38.27,;5.71,-39.61,;4.94,-40.94,;3.4,-40.93,;2.64,-39.6,;-1.97,-36.94,;-3.51,-36.93,)| Show InChI InChI=1S/C28H35IN4O2/c29-26-21-15-20-16-22(26)19-28(17-20,18-21)27(35)33(25-7-3-4-8-30-25)14-11-31-9-12-32(13-10-31)23-5-1-2-6-24(23)34/h1-8,20-22,26,34H,9-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.95	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343895 (CHEMBL1774996 | N-(2-(4-(2-Hydroxyphenyl)piperazin...) Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)CC3)c2ccccn2)CC1 Show InChI InChI=1S/C26H33IN4O2/c27-26-11-8-25(9-12-26,10-13-26)24(33)31(23-7-3-4-14-28-23)20-17-29-15-18-30(19-16-29)21-5-1-2-6-22(21)32/h1-7,14,32H,8-13,15-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.57	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343889 (3-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(CC(I)(C4)C2)C3)c2ccccn2)CC1 |TLB:24:23:18:27.21.20,24:23:27:19.18.20,25:23:27:19.18.20,25:19:27:26.23.22,THB:22:21:26.23.25:18| Show InChI InChI=1S/C29H37IN4O2/c1-36-25-7-3-2-6-24(25)33-13-10-32(11-14-33)12-15-34(26-8-4-5-9-31-26)27(35)28-17-22-16-23(18-28)20-29(30,19-22)21-28/h2-9,22-23H,10-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.04	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
					More data for this Ligand-Target Pair