BDBM50090322 CHEMBL44124::N-[3-(4-Cyano-4-phenyl-piperidin-1-yl)-propyl]-2,2-di-p-tolyl-acetamide

SMILES: Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(C)cc1

InChI Key: InChIKey=SEKGPRMGBHNTFK-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50090322   

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))	BDBM50090322 (CHEMBL44124 | N-[3-(4-Cyano-4-phenyl-piperidin-1-y...) Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(C)cc1 Show InChI InChI=1S/C31H35N3O/c1-24-9-13-26(14-10-24)29(27-15-11-25(2)12-16-27)30(35)33-19-6-20-34-21-17-31(23-32,18-22-34)28-7-4-3-5-8-28/h3-5,7-16,29H,6,17-22H2,1-2H3,(H,33,35)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.30	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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50090322 (CHEMBL44124 | N-[3-(4-Cyano-4-phenyl-piperidin-1-y...) Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(C)cc1 Show InChI InChI=1S/C31H35N3O/c1-24-9-13-26(14-10-24)29(27-15-11-25(2)12-16-27)30(35)33-19-6-20-34-21-17-31(23-32,18-22-34)28-7-4-3-5-8-28/h3-5,7-16,29H,6,17-22H2,1-2H3,(H,33,35)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 11: 1959-62 (2001) BindingDB Entry DOI: 10.7270/Q2Q52NXK
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50090322 (CHEMBL44124 | N-[3-(4-Cyano-4-phenyl-piperidin-1-y...) Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(C)cc1 Show InChI InChI=1S/C31H35N3O/c1-24-9-13-26(14-10-24)29(27-15-11-25(2)12-16-27)30(35)33-19-6-20-34-21-17-31(23-32,18-22-34)28-7-4-3-5-8-28/h3-5,7-16,29H,6,17-22H2,1-2H3,(H,33,35)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.40E+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
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50090322 (CHEMBL44124 | N-[3-(4-Cyano-4-phenyl-piperidin-1-y...) Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(C)cc1 Show InChI InChI=1S/C31H35N3O/c1-24-9-13-26(14-10-24)29(27-15-11-25(2)12-16-27)30(35)33-19-6-20-34-21-17-31(23-32,18-22-34)28-7-4-3-5-8-28/h3-5,7-16,29H,6,17-22H2,1-2H3,(H,33,35)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description In vitro binding affinity towards cloned human Alpha-1D adrenergic receptor				Bioorg Med Chem Lett 11: 1959-62 (2001) BindingDB Entry DOI: 10.7270/Q2Q52NXK
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50090322 (CHEMBL44124 | N-[3-(4-Cyano-4-phenyl-piperidin-1-y...) Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(C)cc1 Show InChI InChI=1S/C31H35N3O/c1-24-9-13-26(14-10-24)29(27-15-11-25(2)12-16-27)30(35)33-19-6-20-34-21-17-31(23-32,18-22-34)28-7-4-3-5-8-28/h3-5,7-16,29H,6,17-22H2,1-2H3,(H,33,35)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>2.00E+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
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50090322 (CHEMBL44124 | N-[3-(4-Cyano-4-phenyl-piperidin-1-y...) Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(C)cc1 Show InChI InChI=1S/C31H35N3O/c1-24-9-13-26(14-10-24)29(27-15-11-25(2)12-16-27)30(35)33-19-6-20-34-21-17-31(23-32,18-22-34)28-7-4-3-5-8-28/h3-5,7-16,29H,6,17-22H2,1-2H3,(H,33,35)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description In vitro binding affinity towards cloned human Alpha-1B adrenergic receptor				Bioorg Med Chem Lett 11: 1959-62 (2001) BindingDB Entry DOI: 10.7270/Q2Q52NXK
					More data for this Ligand-Target Pair