BDBM50328927 (4-cyclopropylpiperazin-1-yl)(4-(3,4-dichlorophenoxy)-3-((methylamino)methyl)phenyl)methanone::CHEMBL402644

SMILES: CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CC1

InChI Key: InChIKey=SBAQYPMYNRQKBF-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50328927   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50328927 ((4-cyclopropylpiperazin-1-yl)(4-(3,4-dichloropheno...) Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H25Cl2N3O2/c1-25-14-16-12-15(22(28)27-10-8-26(9-11-27)17-3-4-17)2-7-21(16)29-18-5-6-19(23)20(24)13-18/h2,5-7,12-13,17,25H,3-4,8-11,14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of human SERT				Bioorg Med Chem Lett 18: 39-43 (2008) Article DOI: 10.1016/j.bmcl.2007.11.016 BindingDB Entry DOI: 10.7270/Q2R49RMD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50328927 ((4-cyclopropylpiperazin-1-yl)(4-(3,4-dichloropheno...) Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H25Cl2N3O2/c1-25-14-16-12-15(22(28)27-10-8-26(9-11-27)17-3-4-17)2-7-21(16)29-18-5-6-19(23)20(24)13-18/h2,5-7,12-13,17,25H,3-4,8-11,14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of rat SERT				Bioorg Med Chem Lett 18: 39-43 (2008) Article DOI: 10.1016/j.bmcl.2007.11.016 BindingDB Entry DOI: 10.7270/Q2R49RMD
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50328927 ((4-cyclopropylpiperazin-1-yl)(4-(3,4-dichloropheno...) Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H25Cl2N3O2/c1-25-14-16-12-15(22(28)27-10-8-26(9-11-27)17-3-4-17)2-7-21(16)29-18-5-6-19(23)20(24)13-18/h2,5-7,12-13,17,25H,3-4,8-11,14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	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 [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...				Bioorg Med Chem Lett 20: 6226-30 (2010) Article DOI: 10.1016/j.bmcl.2010.08.103 BindingDB Entry DOI: 10.7270/Q2CF9QB3
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50328927 ((4-cyclopropylpiperazin-1-yl)(4-(3,4-dichloropheno...) Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H25Cl2N3O2/c1-25-14-16-12-15(22(28)27-10-8-26(9-11-27)17-3-4-17)2-7-21(16)29-18-5-6-19(23)20(24)13-18/h2,5-7,12-13,17,25H,3-4,8-11,14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of human histamine H3 receptor				Bioorg Med Chem Lett 18: 39-43 (2008) Article DOI: 10.1016/j.bmcl.2007.11.016 BindingDB Entry DOI: 10.7270/Q2R49RMD
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50328927 ((4-cyclopropylpiperazin-1-yl)(4-(3,4-dichloropheno...) Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H25Cl2N3O2/c1-25-14-16-12-15(22(28)27-10-8-26(9-11-27)17-3-4-17)2-7-21(16)29-18-5-6-19(23)20(24)13-18/h2,5-7,12-13,17,25H,3-4,8-11,14H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human DAT				Bioorg Med Chem Lett 18: 39-43 (2008) Article DOI: 10.1016/j.bmcl.2007.11.016 BindingDB Entry DOI: 10.7270/Q2R49RMD
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50328927 ((4-cyclopropylpiperazin-1-yl)(4-(3,4-dichloropheno...) Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H25Cl2N3O2/c1-25-14-16-12-15(22(28)27-10-8-26(9-11-27)17-3-4-17)2-7-21(16)29-18-5-6-19(23)20(24)13-18/h2,5-7,12-13,17,25H,3-4,8-11,14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human NET				Bioorg Med Chem Lett 18: 39-43 (2008) Article DOI: 10.1016/j.bmcl.2007.11.016 BindingDB Entry DOI: 10.7270/Q2R49RMD
					More data for this Ligand-Target Pair