BDBM50122239 4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperazin-1-yl}-2-{7-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-heptyl}-2H-pyridazin-3-one::4-chloro-5-(4-(2-(2-ethoxyphenoxy)ethyl)piperazin-1-yl)-2-(7-(4-(2-isopropoxyphenyl)piperazin-1-yl)heptyl)pyridazin-3(2H)-one::CHEMBL300093

SMILES: CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC(C)C)c(=O)c1Cl

InChI Key: InChIKey=DGDQFYDLHSUEFE-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50122239   

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-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50122239 (4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperaz...) Show SMILES CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC(C)C)c(=O)c1Cl Show InChI InChI=1S/C38H55ClN6O4/c1-4-47-35-16-10-11-17-36(35)48-29-28-42-22-26-44(27-23-42)33-30-40-45(38(46)37(33)39)19-13-7-5-6-12-18-41-20-24-43(25-21-41)32-14-8-9-15-34(32)49-31(2)3/h8-11,14-17,30-31H,4-7,12-13,18-29H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex using [3H]prazosin				Bioorg Med Chem Lett 13: 171-3 (2002) BindingDB Entry DOI: 10.7270/Q2TM79GX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50122239 (4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperaz...) Show SMILES CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC(C)C)c(=O)c1Cl Show InChI InChI=1S/C38H55ClN6O4/c1-4-47-35-16-10-11-17-36(35)48-29-28-42-22-26-44(27-23-42)33-30-40-45(38(46)37(33)39)19-13-7-5-6-12-18-41-20-24-43(25-21-41)32-14-8-9-15-34(32)49-31(2)3/h8-11,14-17,30-31H,4-7,12-13,18-29H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cerebral cortex				Bioorg Med Chem Lett 13: 171-3 (2002) BindingDB Entry DOI: 10.7270/Q2TM79GX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50122239 (4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperaz...) Show SMILES CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC(C)C)c(=O)c1Cl Show InChI InChI=1S/C38H55ClN6O4/c1-4-47-35-16-10-11-17-36(35)48-29-28-42-22-26-44(27-23-42)33-30-40-45(38(46)37(33)39)19-13-7-5-6-12-18-41-20-24-43(25-21-41)32-14-8-9-15-34(32)49-31(2)3/h8-11,14-17,30-31H,4-7,12-13,18-29H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat cortex membranes				J Med Chem 46: 3555-8 (2003) Article DOI: 10.1021/jm0307842 BindingDB Entry DOI: 10.7270/Q2VX0FWQ
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50122239 (4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperaz...) Show SMILES CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC(C)C)c(=O)c1Cl Show InChI InChI=1S/C38H55ClN6O4/c1-4-47-35-16-10-11-17-36(35)48-29-28-42-22-26-44(27-23-42)33-30-40-45(38(46)37(33)39)19-13-7-5-6-12-18-41-20-24-43(25-21-41)32-14-8-9-15-34(32)49-31(2)3/h8-11,14-17,30-31H,4-7,12-13,18-29H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Binding affinity towards Alpha-2 adrenergic receptor in rat cerebral cortex using [3H]rauwolscine				Bioorg Med Chem Lett 13: 171-3 (2002) BindingDB Entry DOI: 10.7270/Q2TM79GX
					More data for this Ligand-Target Pair