BDBM50093213 1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-2-methyl-2H-pyrazol-3-ylmethyl}-piperidin-2-one::CHEMBL440499

SMILES: CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1

InChI Key: InChIKey=OALIYDQKZULGGT-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 = 50093213   

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))	BDBM50093213 (1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1 Show InChI InChI=1S/C24H35N5O2/c1-19(2)31-23-9-5-4-8-22(23)28-14-12-27(13-15-28)17-20-16-21(26(3)25-20)18-29-11-7-6-10-24(29)30/h4-5,8-9,16,19H,6-7,10-15,17-18H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	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))	BDBM50093213 (1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1 Show InChI InChI=1S/C24H35N5O2/c1-19(2)31-23-9-5-4-8-22(23)28-14-12-27(13-15-28)17-20-16-21(26(3)25-20)18-29-11-7-6-10-24(29)30/h4-5,8-9,16,19H,6-7,10-15,17-18H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	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))	BDBM50093213 (1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1 Show InChI InChI=1S/C24H35N5O2/c1-19(2)31-23-9-5-4-8-22(23)28-14-12-27(13-15-28)17-20-16-21(26(3)25-20)18-29-11-7-6-10-24(29)30/h4-5,8-9,16,19H,6-7,10-15,17-18H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.08E+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