BDBM50116206 (S)-1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-2-ylmethyl}-pyrrolidine-2-carboxylic acid methyl ester::CHEMBL68241

SMILES: COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(CC2)c2ccccc2OC)s1

InChI Key: InChIKey=WSVLBNNZDIDXTO-NRFANRHFSA-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 = 50116206   

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))	BDBM50116206 ((S)-1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethy...) Show SMILES COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(CC2)c2ccccc2OC)s1 Show InChI InChI=1S/C23H31N3O3S/c1-28-22-8-4-3-6-20(22)25-14-12-24(13-15-25)16-18-9-10-19(30-18)17-26-11-5-7-21(26)23(27)29-2/h3-4,6,8-10,21H,5,7,11-17H2,1-2H3/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from COS cell membranes expressing human Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 12: 2145-8 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5F04
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50116206 ((S)-1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethy...) Show SMILES COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(CC2)c2ccccc2OC)s1 Show InChI InChI=1S/C23H31N3O3S/c1-28-22-8-4-3-6-20(22)25-14-12-24(13-15-25)16-18-9-10-19(30-18)17-26-11-5-7-21(26)23(27)29-2/h3-4,6,8-10,21H,5,7,11-17H2,1-2H3/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in COS cells membranes				Bioorg Med Chem Lett 12: 2145-8 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5F04
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50116206 ((S)-1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethy...) Show SMILES COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(CC2)c2ccccc2OC)s1 Show InChI InChI=1S/C23H31N3O3S/c1-28-22-8-4-3-6-20(22)25-14-12-24(13-15-25)16-18-9-10-19(30-18)17-26-11-5-7-21(26)23(27)29-2/h3-4,6,8-10,21H,5,7,11-17H2,1-2H3/t21-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	592	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from COS cells membranes expressing human Alpha-1B adrenergic receptor				Bioorg Med Chem Lett 12: 2145-8 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5F04
					More data for this Ligand-Target Pair