BDBM50090321 CHEMBL42361::N-[3-(4-Cyano-4-phenyl-piperidin-1-yl)-propyl]-3-methyl-2-phenyl-butyramide

SMILES: CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccccc1

InChI Key: InChIKey=XAMUVRYPQULOBI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50090321   

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))	BDBM50090321 (CHEMBL42361 | N-[3-(4-Cyano-4-phenyl-piperidin-1-y...) Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H33N3O/c1-21(2)24(22-10-5-3-6-11-22)25(30)28-16-9-17-29-18-14-26(20-27,15-19-29)23-12-7-4-8-13-23/h3-8,10-13,21,24H,9,14-19H2,1-2H3,(H,28,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.				Bioorg Med Chem Lett 10: 1621-4 (2000) BindingDB Entry DOI: 10.7270/Q27W6BDJ
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50090321 (CHEMBL42361 | N-[3-(4-Cyano-4-phenyl-piperidin-1-y...) Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H33N3O/c1-21(2)24(22-10-5-3-6-11-22)25(30)28-16-9-17-29-18-14-26(20-27,15-19-29)23-12-7-4-8-13-23/h3-8,10-13,21,24H,9,14-19H2,1-2H3,(H,28,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-HEAT to cloned human alpha-1B adrenergic receptor.				Bioorg Med Chem Lett 10: 1621-4 (2000) BindingDB Entry DOI: 10.7270/Q27W6BDJ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50090321 (CHEMBL42361 | N-[3-(4-Cyano-4-phenyl-piperidin-1-y...) Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H33N3O/c1-21(2)24(22-10-5-3-6-11-22)25(30)28-16-9-17-29-18-14-26(20-27,15-19-29)23-12-7-4-8-13-23/h3-8,10-13,21,24H,9,14-19H2,1-2H3,(H,28,30)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-HEAT to cloned human alpha-1D adrenergic receptor.				Bioorg Med Chem Lett 10: 1621-4 (2000) BindingDB Entry DOI: 10.7270/Q27W6BDJ
					More data for this Ligand-Target Pair