BDBM50211358 CHEMBL234232::N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-2-methoxy-5-(trifluoromethyl)benzenesulfonamide

SMILES: COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)C(F)(F)F

InChI Key: InChIKey=VXZHIQQSDIJVSS-HZCBDIJESA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50211358   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50211358 (CHEMBL234232 | N-((1r,4r)-4-(4-(2-isopropoxyphenyl...) Show SMILES COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)C(F)(F)F |wU:15.19,wD:12.12,(30.26,-10.98,;31.03,-9.65,;30.26,-8.31,;31.03,-6.97,;30.26,-5.64,;28.72,-5.64,;27.95,-6.97,;28.72,-8.31,;27.95,-9.65,;26.6,-8.87,;29.28,-10.42,;27.18,-10.98,;25.63,-10.98,;24.86,-9.65,;23.32,-9.65,;22.55,-10.98,;23.32,-12.32,;24.86,-12.32,;21,-10.98,;20.24,-12.32,;18.69,-12.32,;17.92,-10.98,;18.69,-9.65,;20.24,-9.65,;16.38,-10.98,;15.61,-12.32,;14.06,-12.32,;13.29,-10.98,;14.06,-9.65,;15.61,-9.65,;16.38,-8.31,;15.61,-6.97,;16.38,-5.64,;14.06,-6.97,;27.95,-4.3,;27.18,-2.96,;26.6,-5.07,;29.28,-3.53,)| Show InChI InChI=1S/C27H36F3N3O4S/c1-19(2)37-24-7-5-4-6-23(24)33-16-14-32(15-17-33)22-11-9-21(10-12-22)31-38(34,35)26-18-20(27(28,29)30)8-13-25(26)36-3/h4-8,13,18-19,21-22,31H,9-12,14-17H2,1-3H3/t21-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	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 dopamine D2 receptor				Bioorg Med Chem Lett 17: 3292-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.008 BindingDB Entry DOI: 10.7270/Q2PG1RDH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50211358 (CHEMBL234232 | N-((1r,4r)-4-(4-(2-isopropoxyphenyl...) Show SMILES COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)C(F)(F)F |wU:15.19,wD:12.12,(30.26,-10.98,;31.03,-9.65,;30.26,-8.31,;31.03,-6.97,;30.26,-5.64,;28.72,-5.64,;27.95,-6.97,;28.72,-8.31,;27.95,-9.65,;26.6,-8.87,;29.28,-10.42,;27.18,-10.98,;25.63,-10.98,;24.86,-9.65,;23.32,-9.65,;22.55,-10.98,;23.32,-12.32,;24.86,-12.32,;21,-10.98,;20.24,-12.32,;18.69,-12.32,;17.92,-10.98,;18.69,-9.65,;20.24,-9.65,;16.38,-10.98,;15.61,-12.32,;14.06,-12.32,;13.29,-10.98,;14.06,-9.65,;15.61,-9.65,;16.38,-8.31,;15.61,-6.97,;16.38,-5.64,;14.06,-6.97,;27.95,-4.3,;27.18,-2.96,;26.6,-5.07,;29.28,-3.53,)| Show InChI InChI=1S/C27H36F3N3O4S/c1-19(2)37-24-7-5-4-6-23(24)33-16-14-32(15-17-33)22-11-9-21(10-12-22)31-38(34,35)26-18-20(27(28,29)30)8-13-25(26)36-3/h4-8,13,18-19,21-22,31H,9-12,14-17H2,1-3H3/t21-,22-	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank 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 L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human cloned adrenergic alpha1D receptor				Bioorg Med Chem Lett 17: 3292-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.008 BindingDB Entry DOI: 10.7270/Q2PG1RDH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50211358 (CHEMBL234232 | N-((1r,4r)-4-(4-(2-isopropoxyphenyl...) Show SMILES COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)C(F)(F)F |wU:15.19,wD:12.12,(30.26,-10.98,;31.03,-9.65,;30.26,-8.31,;31.03,-6.97,;30.26,-5.64,;28.72,-5.64,;27.95,-6.97,;28.72,-8.31,;27.95,-9.65,;26.6,-8.87,;29.28,-10.42,;27.18,-10.98,;25.63,-10.98,;24.86,-9.65,;23.32,-9.65,;22.55,-10.98,;23.32,-12.32,;24.86,-12.32,;21,-10.98,;20.24,-12.32,;18.69,-12.32,;17.92,-10.98,;18.69,-9.65,;20.24,-9.65,;16.38,-10.98,;15.61,-12.32,;14.06,-12.32,;13.29,-10.98,;14.06,-9.65,;15.61,-9.65,;16.38,-8.31,;15.61,-6.97,;16.38,-5.64,;14.06,-6.97,;27.95,-4.3,;27.18,-2.96,;26.6,-5.07,;29.28,-3.53,)| Show InChI InChI=1S/C27H36F3N3O4S/c1-19(2)37-24-7-5-4-6-23(24)33-16-14-32(15-17-33)22-11-9-21(10-12-22)31-38(34,35)26-18-20(27(28,29)30)8-13-25(26)36-3/h4-8,13,18-19,21-22,31H,9-12,14-17H2,1-3H3/t21-,22-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	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: 3292-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.008 BindingDB Entry DOI: 10.7270/Q2PG1RDH
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50211358 (CHEMBL234232 | N-((1r,4r)-4-(4-(2-isopropoxyphenyl...) Show SMILES COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)C(F)(F)F |wU:15.19,wD:12.12,(30.26,-10.98,;31.03,-9.65,;30.26,-8.31,;31.03,-6.97,;30.26,-5.64,;28.72,-5.64,;27.95,-6.97,;28.72,-8.31,;27.95,-9.65,;26.6,-8.87,;29.28,-10.42,;27.18,-10.98,;25.63,-10.98,;24.86,-9.65,;23.32,-9.65,;22.55,-10.98,;23.32,-12.32,;24.86,-12.32,;21,-10.98,;20.24,-12.32,;18.69,-12.32,;17.92,-10.98,;18.69,-9.65,;20.24,-9.65,;16.38,-10.98,;15.61,-12.32,;14.06,-12.32,;13.29,-10.98,;14.06,-9.65,;15.61,-9.65,;16.38,-8.31,;15.61,-6.97,;16.38,-5.64,;14.06,-6.97,;27.95,-4.3,;27.18,-2.96,;26.6,-5.07,;29.28,-3.53,)| Show InChI InChI=1S/C27H36F3N3O4S/c1-19(2)37-24-7-5-4-6-23(24)33-16-14-32(15-17-33)22-11-9-21(10-12-22)31-38(34,35)26-18-20(27(28,29)30)8-13-25(26)36-3/h4-8,13,18-19,21-22,31H,9-12,14-17H2,1-3H3/t21-,22-	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	258	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: 3292-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.008 BindingDB Entry DOI: 10.7270/Q2PG1RDH
					More data for this Ligand-Target Pair