BDBM50211327 4-chloro-2-fluoro-N-((1s,4s)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide::CHEMBL233410

SMILES: CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(Cl)cc1F

InChI Key: InChIKey=DGLBBHYIYLVQGF-OYRHEFFESA-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 = 50211327   

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-1D adrenergic receptor (Homo sapiens (Human))	BDBM50211327 (4-chloro-2-fluoro-N-((1s,4s)-4-(4-(2-isopropoxyphe...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(Cl)cc1F |wU:16.17,19.24,(-9.41,-5.91,;-10.19,-7.23,;-11.73,-7.21,;-9.44,-8.57,;-10.23,-9.9,;-11.76,-9.88,;-12.57,-11.21,;-11.8,-12.55,;-10.25,-12.57,;-9.48,-11.24,;-7.95,-11.26,;-7.18,-12.6,;-5.64,-12.62,;-4.87,-11.3,;-5.61,-9.96,;-7.15,-9.94,;-3.33,-11.32,;-2.58,-12.66,;-1.04,-12.69,;-.26,-11.36,;-1,-10.02,;-2.55,-9.99,;1.3,-11.4,;2.08,-10.07,;.74,-9.29,;3.4,-10.83,;2.83,-8.72,;2.06,-7.41,;2.81,-6.07,;4.36,-6.05,;5.12,-4.71,;5.14,-7.38,;4.38,-8.72,;5.16,-10.05,)| Show InChI InChI=1S/C25H33ClFN3O3S/c1-18(2)33-24-6-4-3-5-23(24)30-15-13-29(14-16-30)21-10-8-20(9-11-21)28-34(31,32)25-12-7-19(26)17-22(25)27/h3-7,12,17-18,20-21,28H,8-11,13-16H2,1-2H3/t20-,21+	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	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))	BDBM50211327 (4-chloro-2-fluoro-N-((1s,4s)-4-(4-(2-isopropoxyphe...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(Cl)cc1F |wU:16.17,19.24,(-9.41,-5.91,;-10.19,-7.23,;-11.73,-7.21,;-9.44,-8.57,;-10.23,-9.9,;-11.76,-9.88,;-12.57,-11.21,;-11.8,-12.55,;-10.25,-12.57,;-9.48,-11.24,;-7.95,-11.26,;-7.18,-12.6,;-5.64,-12.62,;-4.87,-11.3,;-5.61,-9.96,;-7.15,-9.94,;-3.33,-11.32,;-2.58,-12.66,;-1.04,-12.69,;-.26,-11.36,;-1,-10.02,;-2.55,-9.99,;1.3,-11.4,;2.08,-10.07,;.74,-9.29,;3.4,-10.83,;2.83,-8.72,;2.06,-7.41,;2.81,-6.07,;4.36,-6.05,;5.12,-4.71,;5.14,-7.38,;4.38,-8.72,;5.16,-10.05,)| Show InChI InChI=1S/C25H33ClFN3O3S/c1-18(2)33-24-6-4-3-5-23(24)30-15-13-29(14-16-30)21-10-8-20(9-11-21)28-34(31,32)25-12-7-19(26)17-22(25)27/h3-7,12,17-18,20-21,28H,8-11,13-16H2,1-2H3/t20-,21+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	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))	BDBM50211327 (4-chloro-2-fluoro-N-((1s,4s)-4-(4-(2-isopropoxyphe...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(Cl)cc1F |wU:16.17,19.24,(-9.41,-5.91,;-10.19,-7.23,;-11.73,-7.21,;-9.44,-8.57,;-10.23,-9.9,;-11.76,-9.88,;-12.57,-11.21,;-11.8,-12.55,;-10.25,-12.57,;-9.48,-11.24,;-7.95,-11.26,;-7.18,-12.6,;-5.64,-12.62,;-4.87,-11.3,;-5.61,-9.96,;-7.15,-9.94,;-3.33,-11.32,;-2.58,-12.66,;-1.04,-12.69,;-.26,-11.36,;-1,-10.02,;-2.55,-9.99,;1.3,-11.4,;2.08,-10.07,;.74,-9.29,;3.4,-10.83,;2.83,-8.72,;2.06,-7.41,;2.81,-6.07,;4.36,-6.05,;5.12,-4.71,;5.14,-7.38,;4.38,-8.72,;5.16,-10.05,)| Show InChI InChI=1S/C25H33ClFN3O3S/c1-18(2)33-24-6-4-3-5-23(24)30-15-13-29(14-16-30)21-10-8-20(9-11-21)28-34(31,32)25-12-7-19(26)17-22(25)27/h3-7,12,17-18,20-21,28H,8-11,13-16H2,1-2H3/t20-,21+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	101	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50211327 (4-chloro-2-fluoro-N-((1s,4s)-4-(4-(2-isopropoxyphe...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(Cl)cc1F |wU:16.17,19.24,(-9.41,-5.91,;-10.19,-7.23,;-11.73,-7.21,;-9.44,-8.57,;-10.23,-9.9,;-11.76,-9.88,;-12.57,-11.21,;-11.8,-12.55,;-10.25,-12.57,;-9.48,-11.24,;-7.95,-11.26,;-7.18,-12.6,;-5.64,-12.62,;-4.87,-11.3,;-5.61,-9.96,;-7.15,-9.94,;-3.33,-11.32,;-2.58,-12.66,;-1.04,-12.69,;-.26,-11.36,;-1,-10.02,;-2.55,-9.99,;1.3,-11.4,;2.08,-10.07,;.74,-9.29,;3.4,-10.83,;2.83,-8.72,;2.06,-7.41,;2.81,-6.07,;4.36,-6.05,;5.12,-4.71,;5.14,-7.38,;4.38,-8.72,;5.16,-10.05,)| Show InChI InChI=1S/C25H33ClFN3O3S/c1-18(2)33-24-6-4-3-5-23(24)30-15-13-29(14-16-30)21-10-8-20(9-11-21)28-34(31,32)25-12-7-19(26)17-22(25)27/h3-7,12,17-18,20-21,28H,8-11,13-16H2,1-2H3/t20-,21+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	130	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