BDBM50090301 1-{3-[2-(4-Nitro-phenyl)-propionylamino]-propyl}-4-phenyl-piperidine-4-carboxylic acid methyl ester::CHEMBL44496

SMILES: COC(=O)C1(CCN(CCCNC(=O)C(C)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1

InChI Key: InChIKey=HPZXFJLEWNDGNJ-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 = 50090301   

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))	BDBM50090301 (1-{3-[2-(4-Nitro-phenyl)-propionylamino]-propyl}-4...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)C(C)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1 Show InChI InChI=1S/C25H31N3O5/c1-19(20-9-11-22(12-10-20)28(31)32)23(29)26-15-6-16-27-17-13-25(14-18-27,24(30)33-2)21-7-4-3-5-8-21/h3-5,7-12,19H,6,13-18H2,1-2H3,(H,26,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	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))	BDBM50090301 (1-{3-[2-(4-Nitro-phenyl)-propionylamino]-propyl}-4...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)C(C)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1 Show InChI InChI=1S/C25H31N3O5/c1-19(20-9-11-22(12-10-20)28(31)32)23(29)26-15-6-16-27-17-13-25(14-18-27,24(30)33-2)21-7-4-3-5-8-21/h3-5,7-12,19H,6,13-18H2,1-2H3,(H,26,29)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+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))	BDBM50090301 (1-{3-[2-(4-Nitro-phenyl)-propionylamino]-propyl}-4...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)C(C)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1 Show InChI InChI=1S/C25H31N3O5/c1-19(20-9-11-22(12-10-20)28(31)32)23(29)26-15-6-16-27-17-13-25(14-18-27,24(30)33-2)21-7-4-3-5-8-21/h3-5,7-12,19H,6,13-18H2,1-2H3,(H,26,29)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+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