BDBM50146511 4-{(E)-3-[4-((3R,3aS)-7,8-Dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c]isoxazol-3-ylmethyl)-piperazin-1-yl]-1-methyl-propenyl}-phenol::CHEMBL329065

SMILES: COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(O)cc5)CC4)ON=C3c2cc1OC

InChI Key: InChIKey=VMLJCXYBTLCGDU-FHYDSMICSA-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 = 50146511   

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-2C adrenergic receptor (Homo sapiens (Human))	BDBM50146511 (4-{(E)-3-[4-((3R,3aS)-7,8-Dimethoxy-3a,4-dihydro-3...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(O)cc5)CC4)ON=C3c2cc1OC |c:30| Show InChI InChI=1S/C27H33N3O5/c1-18(19-4-6-20(31)7-5-19)8-9-29-10-12-30(13-11-29)16-26-22-17-34-23-15-25(33-3)24(32-2)14-21(23)27(22)28-35-26/h4-8,14-15,22,26,31H,9-13,16-17H2,1-3H3/b18-8+/t22-,26-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description In vitro binding affinity to human alpha-2C adrenergic receptor				Bioorg Med Chem Lett 14: 2917-22 (2004) Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50146511 (4-{(E)-3-[4-((3R,3aS)-7,8-Dimethoxy-3a,4-dihydro-3...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(O)cc5)CC4)ON=C3c2cc1OC |c:30| Show InChI InChI=1S/C27H33N3O5/c1-18(19-4-6-20(31)7-5-19)8-9-29-10-12-30(13-11-29)16-26-22-17-34-23-15-25(33-3)24(32-2)14-21(23)27(22)28-35-26/h4-8,14-15,22,26,31H,9-13,16-17H2,1-3H3/b18-8+/t22-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description In vitro binding affinity to the human alpha-2A adrenergic receptor				Bioorg Med Chem Lett 14: 2917-22 (2004) Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50146511 (4-{(E)-3-[4-((3R,3aS)-7,8-Dimethoxy-3a,4-dihydro-3...) Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(O)cc5)CC4)ON=C3c2cc1OC |c:30| Show InChI InChI=1S/C27H33N3O5/c1-18(19-4-6-20(31)7-5-19)8-9-29-10-12-30(13-11-29)16-26-22-17-34-23-15-25(33-3)24(32-2)14-21(23)27(22)28-35-26/h4-8,14-15,22,26,31H,9-13,16-17H2,1-3H3/b18-8+/t22-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description In vitro binding affinity towards human serotonin transporter				Bioorg Med Chem Lett 14: 2917-22 (2004) Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM
					More data for this Ligand-Target Pair