BDBM50213518 3,4-difluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide::CHEMBL229084

SMILES: CC(C)Oc1ccccc1C1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)c(F)c1

InChI Key: InChIKey=NHRXMVNDSUMAIN-MEMLXQNLSA-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 = 50213518   

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-1A adrenergic receptor (Homo sapiens (Human))	BDBM50213518 (3,4-difluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)p...) Show SMILES CC(C)Oc1ccccc1C1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)c(F)c1 |wU:16.17,wD:19.24,(14.85,-7.42,;14.15,-8.79,;12.61,-8.86,;14.98,-10.08,;14.27,-11.45,;12.74,-11.52,;12.03,-12.89,;12.86,-14.19,;14.4,-14.12,;15.11,-12.75,;16.65,-12.69,;17.47,-13.99,;19,-13.92,;19.72,-12.56,;18.89,-11.26,;17.35,-11.32,;21.26,-12.5,;21.97,-11.14,;23.51,-11.08,;24.33,-12.39,;23.61,-13.75,;22.08,-13.81,;25.87,-12.33,;26.59,-10.97,;25.24,-10.23,;27.94,-11.71,;27.35,-9.62,;26.57,-8.3,;27.32,-6.96,;28.87,-6.94,;29.63,-5.6,;29.65,-8.28,;31.19,-8.26,;28.89,-9.62,)| Show InChI InChI=1S/C26H34F2N2O3S/c1-18(2)33-26-6-4-3-5-23(26)19-13-15-30(16-14-19)21-9-7-20(8-10-21)29-34(31,32)22-11-12-24(27)25(28)17-22/h3-6,11-12,17-21,29H,7-10,13-16H2,1-2H3/t20-,21-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	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))	BDBM50213518 (3,4-difluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)p...) Show SMILES CC(C)Oc1ccccc1C1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)c(F)c1 |wU:16.17,wD:19.24,(14.85,-7.42,;14.15,-8.79,;12.61,-8.86,;14.98,-10.08,;14.27,-11.45,;12.74,-11.52,;12.03,-12.89,;12.86,-14.19,;14.4,-14.12,;15.11,-12.75,;16.65,-12.69,;17.47,-13.99,;19,-13.92,;19.72,-12.56,;18.89,-11.26,;17.35,-11.32,;21.26,-12.5,;21.97,-11.14,;23.51,-11.08,;24.33,-12.39,;23.61,-13.75,;22.08,-13.81,;25.87,-12.33,;26.59,-10.97,;25.24,-10.23,;27.94,-11.71,;27.35,-9.62,;26.57,-8.3,;27.32,-6.96,;28.87,-6.94,;29.63,-5.6,;29.65,-8.28,;31.19,-8.26,;28.89,-9.62,)| Show InChI InChI=1S/C26H34F2N2O3S/c1-18(2)33-26-6-4-3-5-23(26)19-13-15-30(16-14-19)21-9-7-20(8-10-21)29-34(31,32)22-11-12-24(27)25(28)17-22/h3-6,11-12,17-21,29H,7-10,13-16H2,1-2H3/t20-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	79	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
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50213518 (3,4-difluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)p...) Show SMILES CC(C)Oc1ccccc1C1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)c(F)c1 |wU:16.17,wD:19.24,(14.85,-7.42,;14.15,-8.79,;12.61,-8.86,;14.98,-10.08,;14.27,-11.45,;12.74,-11.52,;12.03,-12.89,;12.86,-14.19,;14.4,-14.12,;15.11,-12.75,;16.65,-12.69,;17.47,-13.99,;19,-13.92,;19.72,-12.56,;18.89,-11.26,;17.35,-11.32,;21.26,-12.5,;21.97,-11.14,;23.51,-11.08,;24.33,-12.39,;23.61,-13.75,;22.08,-13.81,;25.87,-12.33,;26.59,-10.97,;25.24,-10.23,;27.94,-11.71,;27.35,-9.62,;26.57,-8.3,;27.32,-6.96,;28.87,-6.94,;29.63,-5.6,;29.65,-8.28,;31.19,-8.26,;28.89,-9.62,)| Show InChI InChI=1S/C26H34F2N2O3S/c1-18(2)33-26-6-4-3-5-23(26)19-13-15-30(16-14-19)21-9-7-20(8-10-21)29-34(31,32)22-11-12-24(27)25(28)17-22/h3-6,11-12,17-21,29H,7-10,13-16H2,1-2H3/t20-,21-	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	87	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
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50213518 (3,4-difluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)p...) Show SMILES CC(C)Oc1ccccc1C1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)c(F)c1 |wU:16.17,wD:19.24,(14.85,-7.42,;14.15,-8.79,;12.61,-8.86,;14.98,-10.08,;14.27,-11.45,;12.74,-11.52,;12.03,-12.89,;12.86,-14.19,;14.4,-14.12,;15.11,-12.75,;16.65,-12.69,;17.47,-13.99,;19,-13.92,;19.72,-12.56,;18.89,-11.26,;17.35,-11.32,;21.26,-12.5,;21.97,-11.14,;23.51,-11.08,;24.33,-12.39,;23.61,-13.75,;22.08,-13.81,;25.87,-12.33,;26.59,-10.97,;25.24,-10.23,;27.94,-11.71,;27.35,-9.62,;26.57,-8.3,;27.32,-6.96,;28.87,-6.94,;29.63,-5.6,;29.65,-8.28,;31.19,-8.26,;28.89,-9.62,)| Show InChI InChI=1S/C26H34F2N2O3S/c1-18(2)33-26-6-4-3-5-23(26)19-13-15-30(16-14-19)21-9-7-20(8-10-21)29-34(31,32)22-11-12-24(27)25(28)17-22/h3-6,11-12,17-21,29H,7-10,13-16H2,1-2H3/t20-,21-	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.39E+3	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