BDBM50090303 CHEMBL42220::N-{3-[4-Cyano-4-(2-methoxy-phenyl)-piperidin-1-yl]-propyl}-2,2-di-p-tolyl-acetamide

SMILES: COc1ccccc1C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)C#N

InChI Key: InChIKey=CGCLDRKORPAFBZ-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 = 50090303   

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))	BDBM50090303 (CHEMBL42220 | N-{3-[4-Cyano-4-(2-methoxy-phenyl)-p...) Show SMILES COc1ccccc1C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)C#N Show InChI InChI=1S/C32H37N3O2/c1-24-9-13-26(14-10-24)30(27-15-11-25(2)12-16-27)31(36)34-19-6-20-35-21-17-32(23-33,18-22-35)28-7-4-5-8-29(28)37-3/h4-5,7-16,30H,6,17-22H2,1-3H3,(H,34,36)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.5	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))	BDBM50090303 (CHEMBL42220 | N-{3-[4-Cyano-4-(2-methoxy-phenyl)-p...) Show SMILES COc1ccccc1C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)C#N Show InChI InChI=1S/C32H37N3O2/c1-24-9-13-26(14-10-24)30(27-15-11-25(2)12-16-27)31(36)34-19-6-20-35-21-17-32(23-33,18-22-35)28-7-4-5-8-29(28)37-3/h4-5,7-16,30H,6,17-22H2,1-3H3,(H,34,36)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	570	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))	BDBM50090303 (CHEMBL42220 | N-{3-[4-Cyano-4-(2-methoxy-phenyl)-p...) Show SMILES COc1ccccc1C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)C#N Show InChI InChI=1S/C32H37N3O2/c1-24-9-13-26(14-10-24)30(27-15-11-25(2)12-16-27)31(36)34-19-6-20-35-21-17-32(23-33,18-22-35)28-7-4-5-8-29(28)37-3/h4-5,7-16,30H,6,17-22H2,1-3H3,(H,34,36)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	710	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