BDBM50320446 CHEMBL1085510::[N-methyl]5-methyl-3-[4-(3-phenylallyl)-piperazin-1-ylmethyl]-3,3a,4,5-tetrahydroisoxazolo[4,3-c]quinoline

SMILES: CN1CC2[C@H](CN3CCN(C\C=C\c4ccccc4)CC3)ON=C2c2ccccc12

InChI Key: InChIKey=GHPKBFZQNLPFFZ-BIGUYTSMSA-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 = 50320446   

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-2A adrenergic receptor (Homo sapiens (Human))	BDBM50320446 (CHEMBL1085510 | [N-methyl]5-methyl-3-[4-(3-phenyla...) Show SMILES CN1CC2[C@H](CN3CCN(C\C=C\c4ccccc4)CC3)ON=C2c2ccccc12 |r,c:24| Show InChI InChI=1S/C25H30N4O/c1-27-18-22-24(30-26-25(22)21-11-5-6-12-23(21)27)19-29-16-14-28(15-17-29)13-7-10-20-8-3-2-4-9-20/h2-12,22,24H,13-19H2,1H3/b10-7+/t22?,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]rauwolscine from adrenergic alpha2A receptor				Bioorg Med Chem Lett 20: 3654-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.099 BindingDB Entry DOI: 10.7270/Q2474B1C
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50320446 (CHEMBL1085510 | [N-methyl]5-methyl-3-[4-(3-phenyla...) Show SMILES CN1CC2[C@H](CN3CCN(C\C=C\c4ccccc4)CC3)ON=C2c2ccccc12 |r,c:24| Show InChI InChI=1S/C25H30N4O/c1-27-18-22-24(30-26-25(22)21-11-5-6-12-23(21)27)19-29-16-14-28(15-17-29)13-7-10-20-8-3-2-4-9-20/h2-12,22,24H,13-19H2,1H3/b10-7+/t22?,24-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]rauwolscine from adrenergic alpha2C receptor				Bioorg Med Chem Lett 20: 3654-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.099 BindingDB Entry DOI: 10.7270/Q2474B1C
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50320446 (CHEMBL1085510 | [N-methyl]5-methyl-3-[4-(3-phenyla...) Show SMILES CN1CC2[C@H](CN3CCN(C\C=C\c4ccccc4)CC3)ON=C2c2ccccc12 |r,c:24| Show InChI InChI=1S/C25H30N4O/c1-27-18-22-24(30-26-25(22)21-11-5-6-12-23(21)27)19-29-16-14-28(15-17-29)13-7-10-20-8-3-2-4-9-20/h2-12,22,24H,13-19H2,1H3/b10-7+/t22?,24-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HTT receptor				Bioorg Med Chem Lett 20: 3654-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.099 BindingDB Entry DOI: 10.7270/Q2474B1C
					More data for this Ligand-Target Pair