Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50019299   

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
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50203481 (2-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccccc3c2C1=O |(15.23,-21.71,;14.46,-20.38,;12.92,-20.38,;15.23,-19.04,;14.46,-17.71,;12.92,-17.71,;12.15,-16.39,;12.91,-15.06,;14.46,-15.05,;15.23,-16.38,;16.76,-16.38,;17.53,-17.72,;19.07,-17.73,;19.84,-16.39,;19.08,-15.06,;17.53,-15.05,;21.38,-16.4,;22.15,-17.74,;23.69,-17.74,;24.46,-16.41,;23.7,-15.08,;22.16,-15.07,;26,-16.42,;26.91,-15.17,;26.44,-13.71,;28.37,-15.65,;29.7,-14.9,;31.03,-15.67,;31.02,-17.22,;32.35,-17.99,;32.34,-19.52,;31,-20.29,;29.67,-19.51,;29.68,-17.97,;28.36,-17.2,;26.9,-17.67,;26.42,-19.13,)| Show InChI InChI=1S/C31H35N3O3/c1-21(2)37-28-10-6-5-9-27(28)33-19-17-32(18-20-33)23-12-14-24(15-13-23)34-30(35)26-16-11-22-7-3-4-8-25(22)29(26)31(34)36/h3-11,16,21,23-24H,12-15,17-20H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1a receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50203485 (5,6-dichloro-2-(4-(4-(2-isopropoxyphenyl)piperazin...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O |(-6.31,-12.94,;-7.08,-11.61,;-8.62,-11.61,;-6.3,-10.28,;-7.07,-8.94,;-8.61,-8.94,;-9.38,-7.62,;-8.62,-6.29,;-7.07,-6.28,;-6.31,-7.61,;-4.77,-7.62,;-4,-8.95,;-2.47,-8.96,;-1.69,-7.63,;-2.46,-6.29,;-4,-6.28,;-.15,-7.63,;.62,-8.97,;2.16,-8.98,;2.93,-7.64,;2.17,-6.31,;.63,-6.3,;4.47,-7.65,;5.37,-6.4,;4.9,-4.94,;6.84,-6.89,;8.17,-6.13,;9.5,-6.9,;10.83,-6.13,;9.49,-8.45,;10.82,-9.22,;8.15,-9.21,;6.82,-8.43,;5.36,-8.9,;4.88,-10.36,)| Show InChI InChI=1S/C27H31Cl2N3O3/c1-17(2)35-25-6-4-3-5-24(25)31-13-11-30(12-14-31)18-7-9-19(10-8-18)32-26(33)20-15-22(28)23(29)16-21(20)27(32)34/h3-6,15-19H,7-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50203486 (2-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccncc2C1=O |(16.6,-44.54,;15.83,-43.21,;14.29,-43.21,;16.6,-41.88,;15.83,-40.54,;14.3,-40.54,;13.53,-39.22,;14.29,-37.89,;15.83,-37.88,;16.6,-39.21,;18.14,-39.22,;18.91,-40.55,;20.44,-40.56,;21.22,-39.23,;20.45,-37.89,;18.9,-37.88,;22.76,-39.23,;23.52,-40.57,;25.06,-40.58,;25.84,-39.25,;25.07,-37.91,;23.53,-37.9,;27.38,-39.25,;28.28,-38.01,;27.81,-36.54,;29.74,-38.49,;31.07,-37.73,;32.4,-38.5,;32.4,-40.05,;31.06,-40.81,;29.73,-40.03,;28.27,-40.5,;27.79,-41.96,)| Show InChI InChI=1S/C26H32N4O3/c1-18(2)33-24-6-4-3-5-23(24)29-15-13-28(14-16-29)19-7-9-20(10-8-19)30-25(31)21-11-12-27-17-22(21)26(30)32/h3-6,11-12,17-20H,7-10,13-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1a receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50203480 (8-fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-y...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccc(F)cc3c2C1=O |(-7.03,-31.98,;-7.8,-30.64,;-9.34,-30.64,;-7.03,-29.31,;-7.8,-27.98,;-9.33,-27.97,;-10.1,-26.65,;-9.34,-25.32,;-7.8,-25.32,;-7.03,-26.65,;-5.49,-26.65,;-4.72,-27.99,;-3.19,-27.99,;-2.41,-26.66,;-3.18,-25.32,;-4.73,-25.32,;-.87,-26.67,;-.11,-28,;1.43,-28.01,;2.21,-26.68,;1.44,-25.34,;-.1,-25.34,;3.75,-26.68,;4.65,-25.44,;4.18,-23.97,;6.11,-25.92,;7.45,-25.16,;8.77,-25.93,;8.77,-27.48,;10.09,-28.25,;10.08,-29.79,;8.74,-30.55,;8.73,-32.09,;7.41,-29.77,;7.43,-28.24,;6.1,-27.46,;4.64,-27.93,;4.16,-29.39,)| Show InChI InChI=1S/C31H34FN3O3/c1-20(2)38-28-6-4-3-5-27(28)34-17-15-33(16-18-34)23-10-12-24(13-11-23)35-30(36)25-14-8-21-7-9-22(32)19-26(21)29(25)31(35)37/h3-9,14,19-20,23-24H,10-13,15-18H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50203480 (8-fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-y...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccc(F)cc3c2C1=O |(-7.03,-31.98,;-7.8,-30.64,;-9.34,-30.64,;-7.03,-29.31,;-7.8,-27.98,;-9.33,-27.97,;-10.1,-26.65,;-9.34,-25.32,;-7.8,-25.32,;-7.03,-26.65,;-5.49,-26.65,;-4.72,-27.99,;-3.19,-27.99,;-2.41,-26.66,;-3.18,-25.32,;-4.73,-25.32,;-.87,-26.67,;-.11,-28,;1.43,-28.01,;2.21,-26.68,;1.44,-25.34,;-.1,-25.34,;3.75,-26.68,;4.65,-25.44,;4.18,-23.97,;6.11,-25.92,;7.45,-25.16,;8.77,-25.93,;8.77,-27.48,;10.09,-28.25,;10.08,-29.79,;8.74,-30.55,;8.73,-32.09,;7.41,-29.77,;7.43,-28.24,;6.1,-27.46,;4.64,-27.93,;4.16,-29.39,)| Show InChI InChI=1S/C31H34FN3O3/c1-20(2)38-28-6-4-3-5-27(28)34-17-15-33(16-18-34)23-10-12-24(13-11-23)35-30(36)25-14-8-21-7-9-22(32)19-26(21)29(25)31(35)37/h3-9,14,19-20,23-24H,10-13,15-18H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50203486 (2-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccncc2C1=O |(16.6,-44.54,;15.83,-43.21,;14.29,-43.21,;16.6,-41.88,;15.83,-40.54,;14.3,-40.54,;13.53,-39.22,;14.29,-37.89,;15.83,-37.88,;16.6,-39.21,;18.14,-39.22,;18.91,-40.55,;20.44,-40.56,;21.22,-39.23,;20.45,-37.89,;18.9,-37.88,;22.76,-39.23,;23.52,-40.57,;25.06,-40.58,;25.84,-39.25,;25.07,-37.91,;23.53,-37.9,;27.38,-39.25,;28.28,-38.01,;27.81,-36.54,;29.74,-38.49,;31.07,-37.73,;32.4,-38.5,;32.4,-40.05,;31.06,-40.81,;29.73,-40.03,;28.27,-40.5,;27.79,-41.96,)| Show InChI InChI=1S/C26H32N4O3/c1-18(2)33-24-6-4-3-5-23(24)29-15-13-28(14-16-29)19-7-9-20(10-8-19)30-25(31)21-11-12-27-17-22(21)26(30)32/h3-6,11-12,17-20H,7-10,13-16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50203484 (6-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccnc2C1=O |(-5.9,-44.57,;-6.67,-43.23,;-8.21,-43.23,;-5.9,-41.9,;-6.67,-40.57,;-8.21,-40.56,;-8.97,-39.24,;-8.21,-37.91,;-6.67,-37.91,;-5.9,-39.24,;-4.36,-39.24,;-3.6,-40.58,;-2.06,-40.58,;-1.29,-39.25,;-2.05,-37.91,;-3.6,-37.91,;.25,-39.26,;1.02,-40.59,;2.56,-40.6,;3.33,-39.27,;2.57,-37.93,;1.03,-37.93,;4.87,-39.28,;5.78,-38.03,;5.31,-36.56,;7.24,-38.51,;8.57,-37.75,;9.9,-38.52,;9.89,-40.07,;8.55,-40.83,;7.23,-40.05,;5.77,-40.52,;5.29,-41.98,)| Show InChI InChI=1S/C26H32N4O3/c1-18(2)33-23-8-4-3-7-22(23)29-16-14-28(15-17-29)19-9-11-20(12-10-19)30-25(31)21-6-5-13-27-24(21)26(30)32/h3-8,13,18-20H,9-12,14-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1a receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (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	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1b receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50203482 (4-fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-y...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccc(F)c2C1=O |(16.25,-12.88,;15.48,-11.55,;13.94,-11.55,;16.25,-10.21,;15.48,-8.88,;13.95,-8.88,;13.18,-7.55,;13.94,-6.23,;15.48,-6.22,;16.25,-7.55,;17.79,-7.55,;18.56,-8.89,;20.09,-8.89,;20.87,-7.56,;20.1,-6.23,;18.55,-6.22,;22.41,-7.57,;23.17,-8.91,;24.71,-8.91,;25.49,-7.58,;24.72,-6.25,;23.18,-6.24,;27.03,-7.59,;27.92,-8.83,;27.44,-10.3,;29.38,-8.37,;30.71,-9.14,;32.05,-8.38,;32.05,-6.84,;30.72,-6.07,;30.73,-4.53,;29.39,-6.82,;27.93,-6.34,;27.46,-4.88,)| Show InChI InChI=1S/C27H32FN3O3/c1-18(2)34-24-9-4-3-8-23(24)30-16-14-29(15-17-30)19-10-12-20(13-11-19)31-26(32)21-6-5-7-22(28)25(21)27(31)33/h3-9,18-20H,10-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1a receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50203482 (4-fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-y...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccc(F)c2C1=O |(16.25,-12.88,;15.48,-11.55,;13.94,-11.55,;16.25,-10.21,;15.48,-8.88,;13.95,-8.88,;13.18,-7.55,;13.94,-6.23,;15.48,-6.22,;16.25,-7.55,;17.79,-7.55,;18.56,-8.89,;20.09,-8.89,;20.87,-7.56,;20.1,-6.23,;18.55,-6.22,;22.41,-7.57,;23.17,-8.91,;24.71,-8.91,;25.49,-7.58,;24.72,-6.25,;23.18,-6.24,;27.03,-7.59,;27.92,-8.83,;27.44,-10.3,;29.38,-8.37,;30.71,-9.14,;32.05,-8.38,;32.05,-6.84,;30.72,-6.07,;30.73,-4.53,;29.39,-6.82,;27.93,-6.34,;27.46,-4.88,)| Show InChI InChI=1S/C27H32FN3O3/c1-18(2)34-24-9-4-3-8-23(24)30-16-14-29(15-17-30)19-10-12-20(13-11-19)31-26(32)21-6-5-7-22(28)25(21)27(31)33/h3-9,18-20H,10-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1a receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50203484 (6-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccnc2C1=O |(-5.9,-44.57,;-6.67,-43.23,;-8.21,-43.23,;-5.9,-41.9,;-6.67,-40.57,;-8.21,-40.56,;-8.97,-39.24,;-8.21,-37.91,;-6.67,-37.91,;-5.9,-39.24,;-4.36,-39.24,;-3.6,-40.58,;-2.06,-40.58,;-1.29,-39.25,;-2.05,-37.91,;-3.6,-37.91,;.25,-39.26,;1.02,-40.59,;2.56,-40.6,;3.33,-39.27,;2.57,-37.93,;1.03,-37.93,;4.87,-39.28,;5.78,-38.03,;5.31,-36.56,;7.24,-38.51,;8.57,-37.75,;9.9,-38.52,;9.89,-40.07,;8.55,-40.83,;7.23,-40.05,;5.77,-40.52,;5.29,-41.98,)| Show InChI InChI=1S/C26H32N4O3/c1-18(2)33-23-8-4-3-7-22(23)29-16-14-28(15-17-29)19-9-11-20(12-10-19)30-25(31)21-6-5-13-27-24(21)26(30)32/h3-8,13,18-20H,9-12,14-17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50203481 (2-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccccc3c2C1=O |(15.23,-21.71,;14.46,-20.38,;12.92,-20.38,;15.23,-19.04,;14.46,-17.71,;12.92,-17.71,;12.15,-16.39,;12.91,-15.06,;14.46,-15.05,;15.23,-16.38,;16.76,-16.38,;17.53,-17.72,;19.07,-17.73,;19.84,-16.39,;19.08,-15.06,;17.53,-15.05,;21.38,-16.4,;22.15,-17.74,;23.69,-17.74,;24.46,-16.41,;23.7,-15.08,;22.16,-15.07,;26,-16.42,;26.91,-15.17,;26.44,-13.71,;28.37,-15.65,;29.7,-14.9,;31.03,-15.67,;31.02,-17.22,;32.35,-17.99,;32.34,-19.52,;31,-20.29,;29.67,-19.51,;29.68,-17.97,;28.36,-17.2,;26.9,-17.67,;26.42,-19.13,)| Show InChI InChI=1S/C31H35N3O3/c1-21(2)37-28-10-6-5-9-27(28)33-19-17-32(18-20-33)23-12-14-24(15-13-23)34-30(35)26-16-11-22-7-3-4-8-25(22)29(26)31(34)36/h3-11,16,21,23-24H,12-15,17-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1a receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50203485 (5,6-dichloro-2-(4-(4-(2-isopropoxyphenyl)piperazin...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O |(-6.31,-12.94,;-7.08,-11.61,;-8.62,-11.61,;-6.3,-10.28,;-7.07,-8.94,;-8.61,-8.94,;-9.38,-7.62,;-8.62,-6.29,;-7.07,-6.28,;-6.31,-7.61,;-4.77,-7.62,;-4,-8.95,;-2.47,-8.96,;-1.69,-7.63,;-2.46,-6.29,;-4,-6.28,;-.15,-7.63,;.62,-8.97,;2.16,-8.98,;2.93,-7.64,;2.17,-6.31,;.63,-6.3,;4.47,-7.65,;5.37,-6.4,;4.9,-4.94,;6.84,-6.89,;8.17,-6.13,;9.5,-6.9,;10.83,-6.13,;9.49,-8.45,;10.82,-9.22,;8.15,-9.21,;6.82,-8.43,;5.36,-8.9,;4.88,-10.36,)| Show InChI InChI=1S/C27H31Cl2N3O3/c1-17(2)35-25-6-4-3-5-24(25)31-13-11-30(12-14-31)18-7-9-19(10-8-18)32-26(33)20-15-22(28)23(29)16-21(20)27(32)34/h3-6,15-19H,7-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1a receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50203480 (8-fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-y...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccc(F)cc3c2C1=O |(-7.03,-31.98,;-7.8,-30.64,;-9.34,-30.64,;-7.03,-29.31,;-7.8,-27.98,;-9.33,-27.97,;-10.1,-26.65,;-9.34,-25.32,;-7.8,-25.32,;-7.03,-26.65,;-5.49,-26.65,;-4.72,-27.99,;-3.19,-27.99,;-2.41,-26.66,;-3.18,-25.32,;-4.73,-25.32,;-.87,-26.67,;-.11,-28,;1.43,-28.01,;2.21,-26.68,;1.44,-25.34,;-.1,-25.34,;3.75,-26.68,;4.65,-25.44,;4.18,-23.97,;6.11,-25.92,;7.45,-25.16,;8.77,-25.93,;8.77,-27.48,;10.09,-28.25,;10.08,-29.79,;8.74,-30.55,;8.73,-32.09,;7.41,-29.77,;7.43,-28.24,;6.1,-27.46,;4.64,-27.93,;4.16,-29.39,)| Show InChI InChI=1S/C31H34FN3O3/c1-20(2)38-28-6-4-3-5-27(28)34-17-15-33(16-18-34)23-10-12-24(13-11-23)35-30(36)25-14-8-21-7-9-22(32)19-26(21)29(25)31(35)37/h3-9,14,19-20,23-24H,10-13,15-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1a receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50203480 (8-fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-y...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccc(F)cc3c2C1=O |(-7.03,-31.98,;-7.8,-30.64,;-9.34,-30.64,;-7.03,-29.31,;-7.8,-27.98,;-9.33,-27.97,;-10.1,-26.65,;-9.34,-25.32,;-7.8,-25.32,;-7.03,-26.65,;-5.49,-26.65,;-4.72,-27.99,;-3.19,-27.99,;-2.41,-26.66,;-3.18,-25.32,;-4.73,-25.32,;-.87,-26.67,;-.11,-28,;1.43,-28.01,;2.21,-26.68,;1.44,-25.34,;-.1,-25.34,;3.75,-26.68,;4.65,-25.44,;4.18,-23.97,;6.11,-25.92,;7.45,-25.16,;8.77,-25.93,;8.77,-27.48,;10.09,-28.25,;10.08,-29.79,;8.74,-30.55,;8.73,-32.09,;7.41,-29.77,;7.43,-28.24,;6.1,-27.46,;4.64,-27.93,;4.16,-29.39,)| Show InChI InChI=1S/C31H34FN3O3/c1-20(2)38-28-6-4-3-5-27(28)34-17-15-33(16-18-34)23-10-12-24(13-11-23)35-30(36)25-14-8-21-7-9-22(32)19-26(21)29(25)31(35)37/h3-9,14,19-20,23-24H,10-13,15-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1a receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50203482 (4-fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-y...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccc(F)c2C1=O |(16.25,-12.88,;15.48,-11.55,;13.94,-11.55,;16.25,-10.21,;15.48,-8.88,;13.95,-8.88,;13.18,-7.55,;13.94,-6.23,;15.48,-6.22,;16.25,-7.55,;17.79,-7.55,;18.56,-8.89,;20.09,-8.89,;20.87,-7.56,;20.1,-6.23,;18.55,-6.22,;22.41,-7.57,;23.17,-8.91,;24.71,-8.91,;25.49,-7.58,;24.72,-6.25,;23.18,-6.24,;27.03,-7.59,;27.92,-8.83,;27.44,-10.3,;29.38,-8.37,;30.71,-9.14,;32.05,-8.38,;32.05,-6.84,;30.72,-6.07,;30.73,-4.53,;29.39,-6.82,;27.93,-6.34,;27.46,-4.88,)| Show InChI InChI=1S/C27H32FN3O3/c1-18(2)34-24-9-4-3-8-23(24)30-16-14-29(15-17-30)19-10-12-20(13-11-19)31-26(32)21-6-5-7-22(28)25(21)27(31)33/h3-9,18-20H,10-17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50203482 (4-fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-y...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccc(F)c2C1=O |(16.25,-12.88,;15.48,-11.55,;13.94,-11.55,;16.25,-10.21,;15.48,-8.88,;13.95,-8.88,;13.18,-7.55,;13.94,-6.23,;15.48,-6.22,;16.25,-7.55,;17.79,-7.55,;18.56,-8.89,;20.09,-8.89,;20.87,-7.56,;20.1,-6.23,;18.55,-6.22,;22.41,-7.57,;23.17,-8.91,;24.71,-8.91,;25.49,-7.58,;24.72,-6.25,;23.18,-6.24,;27.03,-7.59,;27.92,-8.83,;27.44,-10.3,;29.38,-8.37,;30.71,-9.14,;32.05,-8.38,;32.05,-6.84,;30.72,-6.07,;30.73,-4.53,;29.39,-6.82,;27.93,-6.34,;27.46,-4.88,)| Show InChI InChI=1S/C27H32FN3O3/c1-18(2)34-24-9-4-3-8-23(24)30-16-14-29(15-17-30)19-10-12-20(13-11-19)31-26(32)21-6-5-7-22(28)25(21)27(31)33/h3-9,18-20H,10-17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50203481 (2-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccccc3c2C1=O |(15.23,-21.71,;14.46,-20.38,;12.92,-20.38,;15.23,-19.04,;14.46,-17.71,;12.92,-17.71,;12.15,-16.39,;12.91,-15.06,;14.46,-15.05,;15.23,-16.38,;16.76,-16.38,;17.53,-17.72,;19.07,-17.73,;19.84,-16.39,;19.08,-15.06,;17.53,-15.05,;21.38,-16.4,;22.15,-17.74,;23.69,-17.74,;24.46,-16.41,;23.7,-15.08,;22.16,-15.07,;26,-16.42,;26.91,-15.17,;26.44,-13.71,;28.37,-15.65,;29.7,-14.9,;31.03,-15.67,;31.02,-17.22,;32.35,-17.99,;32.34,-19.52,;31,-20.29,;29.67,-19.51,;29.68,-17.97,;28.36,-17.2,;26.9,-17.67,;26.42,-19.13,)| Show InChI InChI=1S/C31H35N3O3/c1-21(2)37-28-10-6-5-9-27(28)33-19-17-32(18-20-33)23-12-14-24(15-13-23)34-30(35)26-16-11-22-7-3-4-8-25(22)29(26)31(34)36/h3-11,16,21,23-24H,12-15,17-20H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1b receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50203486 (2-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccncc2C1=O |(16.6,-44.54,;15.83,-43.21,;14.29,-43.21,;16.6,-41.88,;15.83,-40.54,;14.3,-40.54,;13.53,-39.22,;14.29,-37.89,;15.83,-37.88,;16.6,-39.21,;18.14,-39.22,;18.91,-40.55,;20.44,-40.56,;21.22,-39.23,;20.45,-37.89,;18.9,-37.88,;22.76,-39.23,;23.52,-40.57,;25.06,-40.58,;25.84,-39.25,;25.07,-37.91,;23.53,-37.9,;27.38,-39.25,;28.28,-38.01,;27.81,-36.54,;29.74,-38.49,;31.07,-37.73,;32.4,-38.5,;32.4,-40.05,;31.06,-40.81,;29.73,-40.03,;28.27,-40.5,;27.79,-41.96,)| Show InChI InChI=1S/C26H32N4O3/c1-18(2)33-24-6-4-3-5-23(24)29-15-13-28(14-16-29)19-7-9-20(10-8-19)30-25(31)21-11-12-27-17-22(21)26(30)32/h3-6,11-12,17-20H,7-10,13-16H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1b receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50203483 (4,5,6,7-tetrafluoro-2-(4-(4-(2-isopropoxyphenyl)pi...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2c(C1=O)c(F)c(F)c(F)c2F |(15.49,-2.51,;14.72,-1.17,;13.18,-1.17,;15.49,.16,;14.72,1.5,;13.18,1.5,;12.42,2.82,;13.18,4.15,;14.72,4.15,;15.49,2.82,;17.03,2.82,;17.79,1.49,;19.33,1.48,;20.1,2.81,;19.34,4.15,;17.79,4.16,;21.64,2.81,;22.41,1.47,;23.95,1.46,;24.72,2.79,;23.96,4.13,;22.42,4.14,;26.26,2.79,;27.17,4.03,;26.69,5.5,;28.63,3.55,;28.62,2.01,;27.16,1.54,;26.68,.08,;29.94,1.23,;29.93,-.31,;31.28,1.99,;32.61,1.21,;31.29,3.54,;32.63,4.3,;29.96,4.31,;29.97,5.85,)| Show InChI InChI=1S/C27H29F4N3O3/c1-15(2)37-19-6-4-3-5-18(19)33-13-11-32(12-14-33)16-7-9-17(10-8-16)34-26(35)20-21(27(34)36)23(29)25(31)24(30)22(20)28/h3-6,15-17H,7-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50203483 (4,5,6,7-tetrafluoro-2-(4-(4-(2-isopropoxyphenyl)pi...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2c(C1=O)c(F)c(F)c(F)c2F |(15.49,-2.51,;14.72,-1.17,;13.18,-1.17,;15.49,.16,;14.72,1.5,;13.18,1.5,;12.42,2.82,;13.18,4.15,;14.72,4.15,;15.49,2.82,;17.03,2.82,;17.79,1.49,;19.33,1.48,;20.1,2.81,;19.34,4.15,;17.79,4.16,;21.64,2.81,;22.41,1.47,;23.95,1.46,;24.72,2.79,;23.96,4.13,;22.42,4.14,;26.26,2.79,;27.17,4.03,;26.69,5.5,;28.63,3.55,;28.62,2.01,;27.16,1.54,;26.68,.08,;29.94,1.23,;29.93,-.31,;31.28,1.99,;32.61,1.21,;31.29,3.54,;32.63,4.3,;29.96,4.31,;29.97,5.85,)| Show InChI InChI=1S/C27H29F4N3O3/c1-15(2)37-19-6-4-3-5-18(19)33-13-11-32(12-14-33)16-7-9-17(10-8-16)34-26(35)20-21(27(34)36)23(29)25(31)24(30)22(20)28/h3-6,15-17H,7-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	37.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1a receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50203484 (6-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccnc2C1=O |(-5.9,-44.57,;-6.67,-43.23,;-8.21,-43.23,;-5.9,-41.9,;-6.67,-40.57,;-8.21,-40.56,;-8.97,-39.24,;-8.21,-37.91,;-6.67,-37.91,;-5.9,-39.24,;-4.36,-39.24,;-3.6,-40.58,;-2.06,-40.58,;-1.29,-39.25,;-2.05,-37.91,;-3.6,-37.91,;.25,-39.26,;1.02,-40.59,;2.56,-40.6,;3.33,-39.27,;2.57,-37.93,;1.03,-37.93,;4.87,-39.28,;5.78,-38.03,;5.31,-36.56,;7.24,-38.51,;8.57,-37.75,;9.9,-38.52,;9.89,-40.07,;8.55,-40.83,;7.23,-40.05,;5.77,-40.52,;5.29,-41.98,)| Show InChI InChI=1S/C26H32N4O3/c1-18(2)33-23-8-4-3-7-22(23)29-16-14-28(15-17-29)19-9-11-20(12-10-19)30-25(31)21-6-5-13-27-24(21)26(30)32/h3-8,13,18-20H,9-12,14-17H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	44.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1b receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50203480 (8-fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-y...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccc(F)cc3c2C1=O |(-7.03,-31.98,;-7.8,-30.64,;-9.34,-30.64,;-7.03,-29.31,;-7.8,-27.98,;-9.33,-27.97,;-10.1,-26.65,;-9.34,-25.32,;-7.8,-25.32,;-7.03,-26.65,;-5.49,-26.65,;-4.72,-27.99,;-3.19,-27.99,;-2.41,-26.66,;-3.18,-25.32,;-4.73,-25.32,;-.87,-26.67,;-.11,-28,;1.43,-28.01,;2.21,-26.68,;1.44,-25.34,;-.1,-25.34,;3.75,-26.68,;4.65,-25.44,;4.18,-23.97,;6.11,-25.92,;7.45,-25.16,;8.77,-25.93,;8.77,-27.48,;10.09,-28.25,;10.08,-29.79,;8.74,-30.55,;8.73,-32.09,;7.41,-29.77,;7.43,-28.24,;6.1,-27.46,;4.64,-27.93,;4.16,-29.39,)| Show InChI InChI=1S/C31H34FN3O3/c1-20(2)38-28-6-4-3-5-27(28)34-17-15-33(16-18-34)23-10-12-24(13-11-23)35-30(36)25-14-8-21-7-9-22(32)19-26(21)29(25)31(35)37/h3-9,14,19-20,23-24H,10-13,15-18H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	46.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1b receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50203480 (8-fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-y...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccc(F)cc3c2C1=O |(-7.03,-31.98,;-7.8,-30.64,;-9.34,-30.64,;-7.03,-29.31,;-7.8,-27.98,;-9.33,-27.97,;-10.1,-26.65,;-9.34,-25.32,;-7.8,-25.32,;-7.03,-26.65,;-5.49,-26.65,;-4.72,-27.99,;-3.19,-27.99,;-2.41,-26.66,;-3.18,-25.32,;-4.73,-25.32,;-.87,-26.67,;-.11,-28,;1.43,-28.01,;2.21,-26.68,;1.44,-25.34,;-.1,-25.34,;3.75,-26.68,;4.65,-25.44,;4.18,-23.97,;6.11,-25.92,;7.45,-25.16,;8.77,-25.93,;8.77,-27.48,;10.09,-28.25,;10.08,-29.79,;8.74,-30.55,;8.73,-32.09,;7.41,-29.77,;7.43,-28.24,;6.1,-27.46,;4.64,-27.93,;4.16,-29.39,)| Show InChI InChI=1S/C31H34FN3O3/c1-20(2)38-28-6-4-3-5-27(28)34-17-15-33(16-18-34)23-10-12-24(13-11-23)35-30(36)25-14-8-21-7-9-22(32)19-26(21)29(25)31(35)37/h3-9,14,19-20,23-24H,10-13,15-18H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	46.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1b receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50203482 (4-fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-y...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccc(F)c2C1=O |(16.25,-12.88,;15.48,-11.55,;13.94,-11.55,;16.25,-10.21,;15.48,-8.88,;13.95,-8.88,;13.18,-7.55,;13.94,-6.23,;15.48,-6.22,;16.25,-7.55,;17.79,-7.55,;18.56,-8.89,;20.09,-8.89,;20.87,-7.56,;20.1,-6.23,;18.55,-6.22,;22.41,-7.57,;23.17,-8.91,;24.71,-8.91,;25.49,-7.58,;24.72,-6.25,;23.18,-6.24,;27.03,-7.59,;27.92,-8.83,;27.44,-10.3,;29.38,-8.37,;30.71,-9.14,;32.05,-8.38,;32.05,-6.84,;30.72,-6.07,;30.73,-4.53,;29.39,-6.82,;27.93,-6.34,;27.46,-4.88,)| Show InChI InChI=1S/C27H32FN3O3/c1-18(2)34-24-9-4-3-8-23(24)30-16-14-29(15-17-30)19-10-12-20(13-11-19)31-26(32)21-6-5-7-22(28)25(21)27(31)33/h3-9,18-20H,10-17H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1b receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50203482 (4-fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-y...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccc(F)c2C1=O |(16.25,-12.88,;15.48,-11.55,;13.94,-11.55,;16.25,-10.21,;15.48,-8.88,;13.95,-8.88,;13.18,-7.55,;13.94,-6.23,;15.48,-6.22,;16.25,-7.55,;17.79,-7.55,;18.56,-8.89,;20.09,-8.89,;20.87,-7.56,;20.1,-6.23,;18.55,-6.22,;22.41,-7.57,;23.17,-8.91,;24.71,-8.91,;25.49,-7.58,;24.72,-6.25,;23.18,-6.24,;27.03,-7.59,;27.92,-8.83,;27.44,-10.3,;29.38,-8.37,;30.71,-9.14,;32.05,-8.38,;32.05,-6.84,;30.72,-6.07,;30.73,-4.53,;29.39,-6.82,;27.93,-6.34,;27.46,-4.88,)| Show InChI InChI=1S/C27H32FN3O3/c1-18(2)34-24-9-4-3-8-23(24)30-16-14-29(15-17-30)19-10-12-20(13-11-19)31-26(32)21-6-5-7-22(28)25(21)27(31)33/h3-9,18-20H,10-17H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1b receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50203485 (5,6-dichloro-2-(4-(4-(2-isopropoxyphenyl)piperazin...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O |(-6.31,-12.94,;-7.08,-11.61,;-8.62,-11.61,;-6.3,-10.28,;-7.07,-8.94,;-8.61,-8.94,;-9.38,-7.62,;-8.62,-6.29,;-7.07,-6.28,;-6.31,-7.61,;-4.77,-7.62,;-4,-8.95,;-2.47,-8.96,;-1.69,-7.63,;-2.46,-6.29,;-4,-6.28,;-.15,-7.63,;.62,-8.97,;2.16,-8.98,;2.93,-7.64,;2.17,-6.31,;.63,-6.3,;4.47,-7.65,;5.37,-6.4,;4.9,-4.94,;6.84,-6.89,;8.17,-6.13,;9.5,-6.9,;10.83,-6.13,;9.49,-8.45,;10.82,-9.22,;8.15,-9.21,;6.82,-8.43,;5.36,-8.9,;4.88,-10.36,)| Show InChI InChI=1S/C27H31Cl2N3O3/c1-17(2)35-25-6-4-3-5-24(25)31-13-11-30(12-14-31)18-7-9-19(10-8-18)32-26(33)20-15-22(28)23(29)16-21(20)27(32)34/h3-6,15-19H,7-14H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1b receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50203483 (4,5,6,7-tetrafluoro-2-(4-(4-(2-isopropoxyphenyl)pi...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2c(C1=O)c(F)c(F)c(F)c2F |(15.49,-2.51,;14.72,-1.17,;13.18,-1.17,;15.49,.16,;14.72,1.5,;13.18,1.5,;12.42,2.82,;13.18,4.15,;14.72,4.15,;15.49,2.82,;17.03,2.82,;17.79,1.49,;19.33,1.48,;20.1,2.81,;19.34,4.15,;17.79,4.16,;21.64,2.81,;22.41,1.47,;23.95,1.46,;24.72,2.79,;23.96,4.13,;22.42,4.14,;26.26,2.79,;27.17,4.03,;26.69,5.5,;28.63,3.55,;28.62,2.01,;27.16,1.54,;26.68,.08,;29.94,1.23,;29.93,-.31,;31.28,1.99,;32.61,1.21,;31.29,3.54,;32.63,4.3,;29.96,4.31,;29.97,5.85,)| Show InChI InChI=1S/C27H29F4N3O3/c1-15(2)37-19-6-4-3-5-18(19)33-13-11-32(12-14-33)16-7-9-17(10-8-16)34-26(35)20-21(27(34)36)23(29)25(31)24(30)22(20)28/h3-6,15-17H,7-14H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1b receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
					More data for this Ligand-Target Pair