BDBM50213512 5-chloro-N-((1s,4s)-4-(4-(2-cyclopropoxyphenyl)piperidin-1-yl)cyclohexyl)-2-methoxybenzenesulfonamide::CHEMBL388897

SMILES: COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1

InChI Key: InChIKey=CQABPCACTMBCQC-SZPZYZBQSA-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 = 50213512   

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))	BDBM50213512 (5-chloro-N-((1s,4s)-4-(4-(2-cyclopropoxyphenyl)pip...) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:16.20,13.13,(10.04,-34.29,;8.5,-34.3,;7.72,-32.97,;8.48,-31.63,;7.7,-30.3,;6.15,-30.32,;5.37,-29,;5.4,-31.66,;6.18,-32.98,;5.42,-34.32,;4.07,-33.59,;6.77,-35.07,;4.7,-35.69,;3.16,-35.74,;2.44,-37.1,;.91,-37.16,;.09,-35.86,;.8,-34.5,;2.34,-34.44,;-1.45,-35.92,;-2.16,-37.28,;-3.7,-37.35,;-4.52,-36.05,;-3.82,-34.68,;-2.28,-34.62,;-6.06,-36.11,;-6.77,-37.48,;-8.31,-37.55,;-9.14,-36.24,;-8.43,-34.88,;-6.9,-34.81,;-6.19,-33.44,;-7.02,-32.14,;-7.1,-30.6,;-8.39,-31.43,)| Show InChI InChI=1S/C27H35ClN2O4S/c1-33-26-13-6-20(28)18-27(26)35(31,32)29-21-7-9-22(10-8-21)30-16-14-19(15-17-30)24-4-2-3-5-25(24)34-23-11-12-23/h2-6,13,18-19,21-23,29H,7-12,14-17H2,1H3/t21-,22+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	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
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50213512 (5-chloro-N-((1s,4s)-4-(4-(2-cyclopropoxyphenyl)pip...) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:16.20,13.13,(10.04,-34.29,;8.5,-34.3,;7.72,-32.97,;8.48,-31.63,;7.7,-30.3,;6.15,-30.32,;5.37,-29,;5.4,-31.66,;6.18,-32.98,;5.42,-34.32,;4.07,-33.59,;6.77,-35.07,;4.7,-35.69,;3.16,-35.74,;2.44,-37.1,;.91,-37.16,;.09,-35.86,;.8,-34.5,;2.34,-34.44,;-1.45,-35.92,;-2.16,-37.28,;-3.7,-37.35,;-4.52,-36.05,;-3.82,-34.68,;-2.28,-34.62,;-6.06,-36.11,;-6.77,-37.48,;-8.31,-37.55,;-9.14,-36.24,;-8.43,-34.88,;-6.9,-34.81,;-6.19,-33.44,;-7.02,-32.14,;-7.1,-30.6,;-8.39,-31.43,)| Show InChI InChI=1S/C27H35ClN2O4S/c1-33-26-13-6-20(28)18-27(26)35(31,32)29-21-7-9-22(10-8-21)30-16-14-19(15-17-30)24-4-2-3-5-25(24)34-23-11-12-23/h2-6,13,18-19,21-23,29H,7-12,14-17H2,1H3/t21-,22+	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	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))	BDBM50213512 (5-chloro-N-((1s,4s)-4-(4-(2-cyclopropoxyphenyl)pip...) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:16.20,13.13,(10.04,-34.29,;8.5,-34.3,;7.72,-32.97,;8.48,-31.63,;7.7,-30.3,;6.15,-30.32,;5.37,-29,;5.4,-31.66,;6.18,-32.98,;5.42,-34.32,;4.07,-33.59,;6.77,-35.07,;4.7,-35.69,;3.16,-35.74,;2.44,-37.1,;.91,-37.16,;.09,-35.86,;.8,-34.5,;2.34,-34.44,;-1.45,-35.92,;-2.16,-37.28,;-3.7,-37.35,;-4.52,-36.05,;-3.82,-34.68,;-2.28,-34.62,;-6.06,-36.11,;-6.77,-37.48,;-8.31,-37.55,;-9.14,-36.24,;-8.43,-34.88,;-6.9,-34.81,;-6.19,-33.44,;-7.02,-32.14,;-7.1,-30.6,;-8.39,-31.43,)| Show InChI InChI=1S/C27H35ClN2O4S/c1-33-26-13-6-20(28)18-27(26)35(31,32)29-21-7-9-22(10-8-21)30-16-14-19(15-17-30)24-4-2-3-5-25(24)34-23-11-12-23/h2-6,13,18-19,21-23,29H,7-12,14-17H2,1H3/t21-,22+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	82	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50213512 (5-chloro-N-((1s,4s)-4-(4-(2-cyclopropoxyphenyl)pip...) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:16.20,13.13,(10.04,-34.29,;8.5,-34.3,;7.72,-32.97,;8.48,-31.63,;7.7,-30.3,;6.15,-30.32,;5.37,-29,;5.4,-31.66,;6.18,-32.98,;5.42,-34.32,;4.07,-33.59,;6.77,-35.07,;4.7,-35.69,;3.16,-35.74,;2.44,-37.1,;.91,-37.16,;.09,-35.86,;.8,-34.5,;2.34,-34.44,;-1.45,-35.92,;-2.16,-37.28,;-3.7,-37.35,;-4.52,-36.05,;-3.82,-34.68,;-2.28,-34.62,;-6.06,-36.11,;-6.77,-37.48,;-8.31,-37.55,;-9.14,-36.24,;-8.43,-34.88,;-6.9,-34.81,;-6.19,-33.44,;-7.02,-32.14,;-7.1,-30.6,;-8.39,-31.43,)| Show InChI InChI=1S/C27H35ClN2O4S/c1-33-26-13-6-20(28)18-27(26)35(31,32)29-21-7-9-22(10-8-21)30-16-14-19(15-17-30)24-4-2-3-5-25(24)34-23-11-12-23/h2-6,13,18-19,21-23,29H,7-12,14-17H2,1H3/t21-,22+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	129	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