BDBM50093214 1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-2H-pyrazol-3-ylmethyl}-piperidin-2-one::CHEMBL310471

SMILES: CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n[nH]2)CC1

InChI Key: InChIKey=RBXJHORKDXVNCU-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 = 50093214   

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))	BDBM50093214 (1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n[nH]2)CC1 Show InChI InChI=1S/C23H33N5O2/c1-18(2)30-22-8-4-3-7-21(22)27-13-11-26(12-14-27)16-19-15-20(25-24-19)17-28-10-6-5-9-23(28)29/h3-4,7-8,15,18H,5-6,9-14,16-17H2,1-2H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to COS cell membrane expressing the human Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 10: 2375-7 (2001) BindingDB Entry DOI: 10.7270/Q2D50M66
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50093214 (1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n[nH]2)CC1 Show InChI InChI=1S/C23H33N5O2/c1-18(2)30-22-8-4-3-7-21(22)27-13-11-26(12-14-27)16-19-15-20(25-24-19)17-28-10-6-5-9-23(28)29/h3-4,7-8,15,18H,5-6,9-14,16-17H2,1-2H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	177	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to COS cell membrane expressing the human Alpha-1D adrenergic receptor				Bioorg Med Chem Lett 10: 2375-7 (2001) BindingDB Entry DOI: 10.7270/Q2D50M66
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50093214 (1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n[nH]2)CC1 Show InChI InChI=1S/C23H33N5O2/c1-18(2)30-22-8-4-3-7-21(22)27-13-11-26(12-14-27)16-19-15-20(25-24-19)17-28-10-6-5-9-23(28)29/h3-4,7-8,15,18H,5-6,9-14,16-17H2,1-2H3,(H,24,25)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards COS cell membrane expressing the human Alpha-1B adrenergic receptor				Bioorg Med Chem Lett 10: 2375-7 (2001) BindingDB Entry DOI: 10.7270/Q2D50M66
					More data for this Ligand-Target Pair