BDBM50116201 CHEMBL302495::{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-2-yl}-methanol

SMILES: COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1

InChI Key: InChIKey=DGESRLVPERSCQG-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 = 50116201   

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-1D adrenergic receptor (Homo sapiens (Human))	BDBM50116201 (CHEMBL302495 | {5-[4-(2-Methoxy-phenyl)-piperazin-...) Show SMILES COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1 Show InChI InChI=1S/C17H22N2O2S/c1-21-17-5-3-2-4-16(17)19-10-8-18(9-11-19)12-14-6-7-15(13-20)22-14/h2-7,20H,8-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	138	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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50116201 (CHEMBL302495 | {5-[4-(2-Methoxy-phenyl)-piperazin-...) Show SMILES COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1 Show InChI InChI=1S/C17H22N2O2S/c1-21-17-5-3-2-4-16(17)19-10-8-18(9-11-19)12-14-6-7-15(13-20)22-14/h2-7,20H,8-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	202	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
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50116201 (CHEMBL302495 | {5-[4-(2-Methoxy-phenyl)-piperazin-...) Show SMILES COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1 Show InChI InChI=1S/C17H22N2O2S/c1-21-17-5-3-2-4-16(17)19-10-8-18(9-11-19)12-14-6-7-15(13-20)22-14/h2-7,20H,8-13H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.06E+3	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