BDBM50211330 5-chloro-N-((1s,4s)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-2-methoxybenzenesulfonamide::CHEMBL233816

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

InChI Key: InChIKey=XRCQNHQVZIQOBE-SZPZYZBQSA-N

Data: 8 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 8 hits for monomerid = 50211330   

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))	BDBM50211330 (5-chloro-N-((1s,4s)-4-(4-(2-isopropoxyphenyl)piper...) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(7.58,-42.99,;8.35,-41.66,;7.58,-40.32,;8.35,-38.99,;7.58,-37.66,;6.04,-37.66,;5.27,-36.32,;5.27,-38.99,;6.04,-40.32,;5.27,-41.66,;3.94,-40.89,;6.6,-42.43,;4.5,-42.99,;2.96,-42.99,;2.19,-44.32,;.65,-44.32,;-.12,-42.99,;.65,-41.66,;2.19,-41.66,;-1.66,-42.99,;-2.44,-44.32,;-3.98,-44.32,;-4.75,-42.99,;-3.98,-41.66,;-2.44,-41.66,;-6.29,-42.99,;-7.06,-44.32,;-8.6,-44.32,;-9.37,-42.99,;-8.6,-41.66,;-7.06,-41.66,;-6.29,-40.32,;-7.06,-38.99,;-6.29,-37.66,;-8.6,-38.99,)| Show InChI InChI=1S/C26H36ClN3O4S/c1-19(2)34-24-7-5-4-6-23(24)30-16-14-29(15-17-30)22-11-9-21(10-12-22)28-35(31,32)26-18-20(27)8-13-25(26)33-3/h4-8,13,18-19,21-22,28H,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	0.75	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))	BDBM50211330 (5-chloro-N-((1s,4s)-4-(4-(2-isopropoxyphenyl)piper...) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(7.58,-42.99,;8.35,-41.66,;7.58,-40.32,;8.35,-38.99,;7.58,-37.66,;6.04,-37.66,;5.27,-36.32,;5.27,-38.99,;6.04,-40.32,;5.27,-41.66,;3.94,-40.89,;6.6,-42.43,;4.5,-42.99,;2.96,-42.99,;2.19,-44.32,;.65,-44.32,;-.12,-42.99,;.65,-41.66,;2.19,-41.66,;-1.66,-42.99,;-2.44,-44.32,;-3.98,-44.32,;-4.75,-42.99,;-3.98,-41.66,;-2.44,-41.66,;-6.29,-42.99,;-7.06,-44.32,;-8.6,-44.32,;-9.37,-42.99,;-8.6,-41.66,;-7.06,-41.66,;-6.29,-40.32,;-7.06,-38.99,;-6.29,-37.66,;-8.6,-38.99,)| Show InChI InChI=1S/C26H36ClN3O4S/c1-19(2)34-24-7-5-4-6-23(24)30-16-14-29(15-17-30)22-11-9-21(10-12-22)28-35(31,32)26-18-20(27)8-13-25(26)33-3/h4-8,13,18-19,21-22,28H,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	1	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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50211330 (5-chloro-N-((1s,4s)-4-(4-(2-isopropoxyphenyl)piper...) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(7.58,-42.99,;8.35,-41.66,;7.58,-40.32,;8.35,-38.99,;7.58,-37.66,;6.04,-37.66,;5.27,-36.32,;5.27,-38.99,;6.04,-40.32,;5.27,-41.66,;3.94,-40.89,;6.6,-42.43,;4.5,-42.99,;2.96,-42.99,;2.19,-44.32,;.65,-44.32,;-.12,-42.99,;.65,-41.66,;2.19,-41.66,;-1.66,-42.99,;-2.44,-44.32,;-3.98,-44.32,;-4.75,-42.99,;-3.98,-41.66,;-2.44,-41.66,;-6.29,-42.99,;-7.06,-44.32,;-8.6,-44.32,;-9.37,-42.99,;-8.6,-41.66,;-7.06,-41.66,;-6.29,-40.32,;-7.06,-38.99,;-6.29,-37.66,;-8.6,-38.99,)| Show InChI InChI=1S/C26H36ClN3O4S/c1-19(2)34-24-7-5-4-6-23(24)30-16-14-29(15-17-30)22-11-9-21(10-12-22)28-35(31,32)26-18-20(27)8-13-25(26)33-3/h4-8,13,18-19,21-22,28H,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	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
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50211330 (5-chloro-N-((1s,4s)-4-(4-(2-isopropoxyphenyl)piper...) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(7.58,-42.99,;8.35,-41.66,;7.58,-40.32,;8.35,-38.99,;7.58,-37.66,;6.04,-37.66,;5.27,-36.32,;5.27,-38.99,;6.04,-40.32,;5.27,-41.66,;3.94,-40.89,;6.6,-42.43,;4.5,-42.99,;2.96,-42.99,;2.19,-44.32,;.65,-44.32,;-.12,-42.99,;.65,-41.66,;2.19,-41.66,;-1.66,-42.99,;-2.44,-44.32,;-3.98,-44.32,;-4.75,-42.99,;-3.98,-41.66,;-2.44,-41.66,;-6.29,-42.99,;-7.06,-44.32,;-8.6,-44.32,;-9.37,-42.99,;-8.6,-41.66,;-7.06,-41.66,;-6.29,-40.32,;-7.06,-38.99,;-6.29,-37.66,;-8.6,-38.99,)| Show InChI InChI=1S/C26H36ClN3O4S/c1-19(2)34-24-7-5-4-6-23(24)30-16-14-29(15-17-30)22-11-9-21(10-12-22)28-35(31,32)26-18-20(27)8-13-25(26)33-3/h4-8,13,18-19,21-22,28H,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	12	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
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50211330 (5-chloro-N-((1s,4s)-4-(4-(2-isopropoxyphenyl)piper...) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(7.58,-42.99,;8.35,-41.66,;7.58,-40.32,;8.35,-38.99,;7.58,-37.66,;6.04,-37.66,;5.27,-36.32,;5.27,-38.99,;6.04,-40.32,;5.27,-41.66,;3.94,-40.89,;6.6,-42.43,;4.5,-42.99,;2.96,-42.99,;2.19,-44.32,;.65,-44.32,;-.12,-42.99,;.65,-41.66,;2.19,-41.66,;-1.66,-42.99,;-2.44,-44.32,;-3.98,-44.32,;-4.75,-42.99,;-3.98,-41.66,;-2.44,-41.66,;-6.29,-42.99,;-7.06,-44.32,;-8.6,-44.32,;-9.37,-42.99,;-8.6,-41.66,;-7.06,-41.66,;-6.29,-40.32,;-7.06,-38.99,;-6.29,-37.66,;-8.6,-38.99,)| Show InChI InChI=1S/C26H36ClN3O4S/c1-19(2)34-24-7-5-4-6-23(24)30-16-14-29(15-17-30)22-11-9-21(10-12-22)28-35(31,32)26-18-20(27)8-13-25(26)33-3/h4-8,13,18-19,21-22,28H,9-12,14-17H2,1-3H3/t21-,22+	UniProtKB/SwissProt 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 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))	BDBM50211330 (5-chloro-N-((1s,4s)-4-(4-(2-isopropoxyphenyl)piper...) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(7.58,-42.99,;8.35,-41.66,;7.58,-40.32,;8.35,-38.99,;7.58,-37.66,;6.04,-37.66,;5.27,-36.32,;5.27,-38.99,;6.04,-40.32,;5.27,-41.66,;3.94,-40.89,;6.6,-42.43,;4.5,-42.99,;2.96,-42.99,;2.19,-44.32,;.65,-44.32,;-.12,-42.99,;.65,-41.66,;2.19,-41.66,;-1.66,-42.99,;-2.44,-44.32,;-3.98,-44.32,;-4.75,-42.99,;-3.98,-41.66,;-2.44,-41.66,;-6.29,-42.99,;-7.06,-44.32,;-8.6,-44.32,;-9.37,-42.99,;-8.6,-41.66,;-7.06,-41.66,;-6.29,-40.32,;-7.06,-38.99,;-6.29,-37.66,;-8.6,-38.99,)| Show InChI InChI=1S/C26H36ClN3O4S/c1-19(2)34-24-7-5-4-6-23(24)30-16-14-29(15-17-30)22-11-9-21(10-12-22)28-35(31,32)26-18-20(27)8-13-25(26)33-3/h4-8,13,18-19,21-22,28H,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	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 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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50211330 (5-chloro-N-((1s,4s)-4-(4-(2-isopropoxyphenyl)piper...) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(7.58,-42.99,;8.35,-41.66,;7.58,-40.32,;8.35,-38.99,;7.58,-37.66,;6.04,-37.66,;5.27,-36.32,;5.27,-38.99,;6.04,-40.32,;5.27,-41.66,;3.94,-40.89,;6.6,-42.43,;4.5,-42.99,;2.96,-42.99,;2.19,-44.32,;.65,-44.32,;-.12,-42.99,;.65,-41.66,;2.19,-41.66,;-1.66,-42.99,;-2.44,-44.32,;-3.98,-44.32,;-4.75,-42.99,;-3.98,-41.66,;-2.44,-41.66,;-6.29,-42.99,;-7.06,-44.32,;-8.6,-44.32,;-9.37,-42.99,;-8.6,-41.66,;-7.06,-41.66,;-6.29,-40.32,;-7.06,-38.99,;-6.29,-37.66,;-8.6,-38.99,)| Show InChI InChI=1S/C26H36ClN3O4S/c1-19(2)34-24-7-5-4-6-23(24)30-16-14-29(15-17-30)22-11-9-21(10-12-22)28-35(31,32)26-18-20(27)8-13-25(26)33-3/h4-8,13,18-19,21-22,28H,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	259	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
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50211330 (5-chloro-N-((1s,4s)-4-(4-(2-isopropoxyphenyl)piper...) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(7.58,-42.99,;8.35,-41.66,;7.58,-40.32,;8.35,-38.99,;7.58,-37.66,;6.04,-37.66,;5.27,-36.32,;5.27,-38.99,;6.04,-40.32,;5.27,-41.66,;3.94,-40.89,;6.6,-42.43,;4.5,-42.99,;2.96,-42.99,;2.19,-44.32,;.65,-44.32,;-.12,-42.99,;.65,-41.66,;2.19,-41.66,;-1.66,-42.99,;-2.44,-44.32,;-3.98,-44.32,;-4.75,-42.99,;-3.98,-41.66,;-2.44,-41.66,;-6.29,-42.99,;-7.06,-44.32,;-8.6,-44.32,;-9.37,-42.99,;-8.6,-41.66,;-7.06,-41.66,;-6.29,-40.32,;-7.06,-38.99,;-6.29,-37.66,;-8.6,-38.99,)| Show InChI InChI=1S/C26H36ClN3O4S/c1-19(2)34-24-7-5-4-6-23(24)30-16-14-29(15-17-30)22-11-9-21(10-12-22)28-35(31,32)26-18-20(27)8-13-25(26)33-3/h4-8,13,18-19,21-22,28H,9-12,14-17H2,1-3H3/t21-,22+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	399	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