BDBM50211321 CHEMBL391016::N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)pyridine-3-sulfonamide

SMILES: CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccnc1

InChI Key: InChIKey=XOZBPBSXMJMBOL-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 = 50211321   

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))	BDBM50211321 (CHEMBL391016 | N-((1r,4r)-4-(4-(2-isopropoxyphenyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccnc1 |wU:16.17,wD:19.24,(17.84,-39.62,;17.05,-40.94,;15.51,-40.92,;17.8,-42.28,;17.02,-43.61,;15.48,-43.59,;14.69,-44.92,;15.45,-46.26,;16.99,-46.27,;17.77,-44.95,;19.3,-44.97,;20.06,-46.31,;21.6,-46.33,;22.38,-45.01,;21.63,-43.67,;20.09,-43.65,;23.92,-45.03,;24.7,-43.7,;26.24,-43.73,;27,-45.07,;26.2,-46.39,;24.67,-46.37,;28.55,-45.11,;29.33,-43.78,;27.99,-43,;30.65,-44.54,;30.08,-42.44,;29.31,-41.12,;30.06,-39.78,;31.61,-39.76,;32.39,-41.09,;31.63,-42.43,)| Show InChI InChI=1S/C24H34N4O3S/c1-19(2)31-24-8-4-3-7-23(24)28-16-14-27(15-17-28)21-11-9-20(10-12-21)26-32(29,30)22-6-5-13-25-18-22/h3-8,13,18-21,26H,9-12,14-17H2,1-2H3/t20-,21-	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.5	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))	BDBM50211321 (CHEMBL391016 | N-((1r,4r)-4-(4-(2-isopropoxyphenyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccnc1 |wU:16.17,wD:19.24,(17.84,-39.62,;17.05,-40.94,;15.51,-40.92,;17.8,-42.28,;17.02,-43.61,;15.48,-43.59,;14.69,-44.92,;15.45,-46.26,;16.99,-46.27,;17.77,-44.95,;19.3,-44.97,;20.06,-46.31,;21.6,-46.33,;22.38,-45.01,;21.63,-43.67,;20.09,-43.65,;23.92,-45.03,;24.7,-43.7,;26.24,-43.73,;27,-45.07,;26.2,-46.39,;24.67,-46.37,;28.55,-45.11,;29.33,-43.78,;27.99,-43,;30.65,-44.54,;30.08,-42.44,;29.31,-41.12,;30.06,-39.78,;31.61,-39.76,;32.39,-41.09,;31.63,-42.43,)| Show InChI InChI=1S/C24H34N4O3S/c1-19(2)31-24-8-4-3-7-23(24)28-16-14-27(15-17-28)21-11-9-20(10-12-21)26-32(29,30)22-6-5-13-25-18-22/h3-8,13,18-21,26H,9-12,14-17H2,1-2H3/t20-,21-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.80	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50211321 (CHEMBL391016 | N-((1r,4r)-4-(4-(2-isopropoxyphenyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccnc1 |wU:16.17,wD:19.24,(17.84,-39.62,;17.05,-40.94,;15.51,-40.92,;17.8,-42.28,;17.02,-43.61,;15.48,-43.59,;14.69,-44.92,;15.45,-46.26,;16.99,-46.27,;17.77,-44.95,;19.3,-44.97,;20.06,-46.31,;21.6,-46.33,;22.38,-45.01,;21.63,-43.67,;20.09,-43.65,;23.92,-45.03,;24.7,-43.7,;26.24,-43.73,;27,-45.07,;26.2,-46.39,;24.67,-46.37,;28.55,-45.11,;29.33,-43.78,;27.99,-43,;30.65,-44.54,;30.08,-42.44,;29.31,-41.12,;30.06,-39.78,;31.61,-39.76,;32.39,-41.09,;31.63,-42.43,)| Show InChI InChI=1S/C24H34N4O3S/c1-19(2)31-24-8-4-3-7-23(24)28-16-14-27(15-17-28)21-11-9-20(10-12-21)26-32(29,30)22-6-5-13-25-18-22/h3-8,13,18-21,26H,9-12,14-17H2,1-2H3/t20-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	55	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))	BDBM50211321 (CHEMBL391016 | N-((1r,4r)-4-(4-(2-isopropoxyphenyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccnc1 |wU:16.17,wD:19.24,(17.84,-39.62,;17.05,-40.94,;15.51,-40.92,;17.8,-42.28,;17.02,-43.61,;15.48,-43.59,;14.69,-44.92,;15.45,-46.26,;16.99,-46.27,;17.77,-44.95,;19.3,-44.97,;20.06,-46.31,;21.6,-46.33,;22.38,-45.01,;21.63,-43.67,;20.09,-43.65,;23.92,-45.03,;24.7,-43.7,;26.24,-43.73,;27,-45.07,;26.2,-46.39,;24.67,-46.37,;28.55,-45.11,;29.33,-43.78,;27.99,-43,;30.65,-44.54,;30.08,-42.44,;29.31,-41.12,;30.06,-39.78,;31.61,-39.76,;32.39,-41.09,;31.63,-42.43,)| Show InChI InChI=1S/C24H34N4O3S/c1-19(2)31-24-8-4-3-7-23(24)28-16-14-27(15-17-28)21-11-9-20(10-12-21)26-32(29,30)22-6-5-13-25-18-22/h3-8,13,18-21,26H,9-12,14-17H2,1-2H3/t20-,21-	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	192	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