BDBM50209684 CHEMBL390718::cis-(+)-7,8-dimethoxy-3-[4-(2-methyl-3-phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3,3a,4,5-tetrahydroquinolino[4,3-c]isoxazole::cis-(+/-)-7,8-dimethoxy-3-[4-(2-methyl-3-phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3,3a,4,5-tetrahydroquinolino[4,3-c]isoxazole::cis-(-)-7,8-dimethoxy-3-[4-(2-methyl-3-phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3,3a,4,5-tetrahydroquinolino[4,3-c]isoxazole

SMILES: COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC

InChI Key: InChIKey=JODRRUQCPGURFJ-CPNJWEJPSA-N

Data: 7 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 7 hits for monomerid = 50209684   

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))	BDBM50209684 (CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...) Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.930	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 Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50209684 (CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...) Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.930	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 Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50209684 (CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...) Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	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 Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50209684 (CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...) Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	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 Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209684 (CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...) Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.90	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 Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209684 (CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...) Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.90	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 Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50209684 (CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...) Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29| Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	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 Displacement of [3H]rawolscine from human cloned adrenergic alpha-2B receptor transfected in CHO cells				Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB
					More data for this Ligand-Target Pair