null

SMILES: Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F

InChI Key: InChIKey=HNTIGZIKHBPAFD-BGYRXZFFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50213529   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50213529 (5-chloro-2-fluoro-N-((1s,4s)-4-(4-(2-(2,2,2-triflu...) Show SMILES Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:15.19,12.12,(8.56,-46.34,;7.79,-45.01,;8.56,-43.69,;7.8,-42.34,;6.24,-42.34,;5.47,-41.01,;5.47,-43.69,;6.23,-45.01,;5.46,-46.35,;4.14,-45.59,;6.82,-47.13,;4.71,-47.66,;3.13,-47.66,;2.37,-48.98,;.85,-48.98,;.08,-47.63,;.84,-46.31,;2.37,-46.35,;-1.49,-47.63,;-2.26,-48.96,;-3.79,-48.96,;-4.56,-47.61,;-3.79,-46.28,;-2.26,-46.31,;-6.12,-47.61,;-6.89,-48.95,;-8.43,-48.95,;-9.2,-47.6,;-8.42,-46.28,;-6.89,-46.28,;-6.12,-44.93,;-6.89,-43.6,;-6.12,-42.27,;-5.36,-40.92,;-4.78,-43.03,;-7.46,-41.5,)| Show InChI InChI=1S/C25H29ClF4N2O3S/c26-18-5-10-22(27)24(15-18)36(33,34)31-19-6-8-20(9-7-19)32-13-11-17(12-14-32)21-3-1-2-4-23(21)35-16-25(28,29)30/h1-5,10,15,17,19-20,31H,6-9,11-14,16H2/t19-,20+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human cloned adrenergic alpha1b receptor				Bioorg Med Chem Lett 17: 3930-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.098 BindingDB Entry DOI: 10.7270/Q2639PF1
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50213529 (5-chloro-2-fluoro-N-((1s,4s)-4-(4-(2-(2,2,2-triflu...) Show SMILES Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:15.19,12.12,(8.56,-46.34,;7.79,-45.01,;8.56,-43.69,;7.8,-42.34,;6.24,-42.34,;5.47,-41.01,;5.47,-43.69,;6.23,-45.01,;5.46,-46.35,;4.14,-45.59,;6.82,-47.13,;4.71,-47.66,;3.13,-47.66,;2.37,-48.98,;.85,-48.98,;.08,-47.63,;.84,-46.31,;2.37,-46.35,;-1.49,-47.63,;-2.26,-48.96,;-3.79,-48.96,;-4.56,-47.61,;-3.79,-46.28,;-2.26,-46.31,;-6.12,-47.61,;-6.89,-48.95,;-8.43,-48.95,;-9.2,-47.6,;-8.42,-46.28,;-6.89,-46.28,;-6.12,-44.93,;-6.89,-43.6,;-6.12,-42.27,;-5.36,-40.92,;-4.78,-43.03,;-7.46,-41.5,)| Show InChI InChI=1S/C25H29ClF4N2O3S/c26-18-5-10-22(27)24(15-18)36(33,34)31-19-6-8-20(9-7-19)32-13-11-17(12-14-32)21-3-1-2-4-23(21)35-16-25(28,29)30/h1-5,10,15,17,19-20,31H,6-9,11-14,16H2/t19-,20+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human cloned adrenergic alpha1d receptor				Bioorg Med Chem Lett 17: 3930-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.098 BindingDB Entry DOI: 10.7270/Q2639PF1
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50213529 (5-chloro-2-fluoro-N-((1s,4s)-4-(4-(2-(2,2,2-triflu...) Show SMILES Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:15.19,12.12,(8.56,-46.34,;7.79,-45.01,;8.56,-43.69,;7.8,-42.34,;6.24,-42.34,;5.47,-41.01,;5.47,-43.69,;6.23,-45.01,;5.46,-46.35,;4.14,-45.59,;6.82,-47.13,;4.71,-47.66,;3.13,-47.66,;2.37,-48.98,;.85,-48.98,;.08,-47.63,;.84,-46.31,;2.37,-46.35,;-1.49,-47.63,;-2.26,-48.96,;-3.79,-48.96,;-4.56,-47.61,;-3.79,-46.28,;-2.26,-46.31,;-6.12,-47.61,;-6.89,-48.95,;-8.43,-48.95,;-9.2,-47.6,;-8.42,-46.28,;-6.89,-46.28,;-6.12,-44.93,;-6.89,-43.6,;-6.12,-42.27,;-5.36,-40.92,;-4.78,-43.03,;-7.46,-41.5,)| Show InChI InChI=1S/C25H29ClF4N2O3S/c26-18-5-10-22(27)24(15-18)36(33,34)31-19-6-8-20(9-7-19)32-13-11-17(12-14-32)21-3-1-2-4-23(21)35-16-25(28,29)30/h1-5,10,15,17,19-20,31H,6-9,11-14,16H2/t19-,20+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human cloned adrenergic alpha1a receptor				Bioorg Med Chem Lett 17: 3930-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.098 BindingDB Entry DOI: 10.7270/Q2639PF1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50213529 (5-chloro-2-fluoro-N-((1s,4s)-4-(4-(2-(2,2,2-triflu...) Show SMILES Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:15.19,12.12,(8.56,-46.34,;7.79,-45.01,;8.56,-43.69,;7.8,-42.34,;6.24,-42.34,;5.47,-41.01,;5.47,-43.69,;6.23,-45.01,;5.46,-46.35,;4.14,-45.59,;6.82,-47.13,;4.71,-47.66,;3.13,-47.66,;2.37,-48.98,;.85,-48.98,;.08,-47.63,;.84,-46.31,;2.37,-46.35,;-1.49,-47.63,;-2.26,-48.96,;-3.79,-48.96,;-4.56,-47.61,;-3.79,-46.28,;-2.26,-46.31,;-6.12,-47.61,;-6.89,-48.95,;-8.43,-48.95,;-9.2,-47.6,;-8.42,-46.28,;-6.89,-46.28,;-6.12,-44.93,;-6.89,-43.6,;-6.12,-42.27,;-5.36,-40.92,;-4.78,-43.03,;-7.46,-41.5,)| Show InChI InChI=1S/C25H29ClF4N2O3S/c26-18-5-10-22(27)24(15-18)36(33,34)31-19-6-8-20(9-7-19)32-13-11-17(12-14-32)21-3-1-2-4-23(21)35-16-25(28,29)30/h1-5,10,15,17,19-20,31H,6-9,11-14,16H2/t19-,20+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity for dopamine D2 receptor				Bioorg Med Chem Lett 17: 3930-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.098 BindingDB Entry DOI: 10.7270/Q2639PF1
					More data for this Ligand-Target Pair