BDBM50219106 4-(2,3-dichlorophenyl)-1-(4-(4-(pyridin-2-yl)benzamido)-transbut-2-enyl)piperazine 1-oxide::CHEMBL244775

SMILES: [O-][N+]1(C\C=C\CNC(=O)c2ccc(cc2)-c2ccccn2)CCN(CC1)c1cccc(Cl)c1Cl

InChI Key: InChIKey=HGHZRWWRCHMWQC-ONEGZZNKSA-N

Data: 5 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 5 hits for monomerid = 50219106   

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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50219106 (4-(2,3-dichlorophenyl)-1-(4-(4-(pyridin-2-yl)benza...) Show SMILES [O-][N+]1(C\C=C\CNC(=O)c2ccc(cc2)-c2ccccn2)CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C26H26Cl2N4O2/c27-22-6-5-8-24(25(22)28)31-15-18-32(34,19-16-31)17-4-3-14-30-26(33)21-11-9-20(10-12-21)23-7-1-2-13-29-23/h1-13H,14-19H2,(H,30,33)/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells				J Med Chem 50: 4135-46 (2007) Article DOI: 10.1021/jm0704200 BindingDB Entry DOI: 10.7270/Q2WW7HDW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50219106 (4-(2,3-dichlorophenyl)-1-(4-(4-(pyridin-2-yl)benza...) Show SMILES [O-][N+]1(C\C=C\CNC(=O)c2ccc(cc2)-c2ccccn2)CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C26H26Cl2N4O2/c27-22-6-5-8-24(25(22)28)31-15-18-32(34,19-16-31)17-4-3-14-30-26(33)21-11-9-20(10-12-21)23-7-1-2-13-29-23/h1-13H,14-19H2,(H,30,33)/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				J Med Chem 50: 4135-46 (2007) Article DOI: 10.1021/jm0704200 BindingDB Entry DOI: 10.7270/Q2WW7HDW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50219106 (4-(2,3-dichlorophenyl)-1-(4-(4-(pyridin-2-yl)benza...) Show SMILES [O-][N+]1(C\C=C\CNC(=O)c2ccc(cc2)-c2ccccn2)CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C26H26Cl2N4O2/c27-22-6-5-8-24(25(22)28)31-15-18-32(34,19-16-31)17-4-3-14-30-26(33)21-11-9-20(10-12-21)23-7-1-2-13-29-23/h1-13H,14-19H2,(H,30,33)/b4-3+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				J Med Chem 50: 4135-46 (2007) Article DOI: 10.1021/jm0704200 BindingDB Entry DOI: 10.7270/Q2WW7HDW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50219106 (4-(2,3-dichlorophenyl)-1-(4-(4-(pyridin-2-yl)benza...) Show SMILES [O-][N+]1(C\C=C\CNC(=O)c2ccc(cc2)-c2ccccn2)CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C26H26Cl2N4O2/c27-22-6-5-8-24(25(22)28)31-15-18-32(34,19-16-31)17-4-3-14-30-26(33)21-11-9-20(10-12-21)23-7-1-2-13-29-23/h1-13H,14-19H2,(H,30,33)/b4-3+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	666	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity to human 5HT1A receptor				J Med Chem 50: 4135-46 (2007) Article DOI: 10.1021/jm0704200 BindingDB Entry DOI: 10.7270/Q2WW7HDW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50219106 (4-(2,3-dichlorophenyl)-1-(4-(4-(pyridin-2-yl)benza...) Show SMILES [O-][N+]1(C\C=C\CNC(=O)c2ccc(cc2)-c2ccccn2)CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C26H26Cl2N4O2/c27-22-6-5-8-24(25(22)28)31-15-18-32(34,19-16-31)17-4-3-14-30-26(33)21-11-9-20(10-12-21)23-7-1-2-13-29-23/h1-13H,14-19H2,(H,30,33)/b4-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human dopamine D2 receptor expressed in HEK293 cells				J Med Chem 50: 4135-46 (2007) Article DOI: 10.1021/jm0704200 BindingDB Entry DOI: 10.7270/Q2WW7HDW
					More data for this Ligand-Target Pair