BDBM50299787 4-(2,4-difluorophenyl)-2-(2-(piperazin-1-yl)benzylidene)thiomorpholin-3-one::CHEMBL575699

SMILES: Fc1ccc(N2CCS\C(=C/c3ccccc3N3CCNCC3)C2=O)c(F)c1

InChI Key: InChIKey=YQANZQCQGNYBAC-MOSHPQCFSA-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 = 50299787   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50299787 (4-(2,4-difluorophenyl)-2-(2-(piperazin-1-yl)benzyl...) Show SMILES Fc1ccc(N2CCS\C(=C/c3ccccc3N3CCNCC3)C2=O)c(F)c1 Show InChI InChI=1S/C21H21F2N3OS/c22-16-5-6-19(17(23)14-16)26-11-12-28-20(21(26)27)13-15-3-1-2-4-18(15)25-9-7-24-8-10-25/h1-6,13-14,24H,7-12H2/b20-13-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 6604-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.014 BindingDB Entry DOI: 10.7270/Q23B606Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50299787 (4-(2,4-difluorophenyl)-2-(2-(piperazin-1-yl)benzyl...) Show SMILES Fc1ccc(N2CCS\C(=C/c3ccccc3N3CCNCC3)C2=O)c(F)c1 Show InChI InChI=1S/C21H21F2N3OS/c22-16-5-6-19(17(23)14-16)26-11-12-28-20(21(26)27)13-15-3-1-2-4-18(15)25-9-7-24-8-10-25/h1-6,13-14,24H,7-12H2/b20-13-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 6604-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.014 BindingDB Entry DOI: 10.7270/Q23B606Z
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50299787 (4-(2,4-difluorophenyl)-2-(2-(piperazin-1-yl)benzyl...) Show SMILES Fc1ccc(N2CCS\C(=C/c3ccccc3N3CCNCC3)C2=O)c(F)c1 Show InChI InChI=1S/C21H21F2N3OS/c22-16-5-6-19(17(23)14-16)26-11-12-28-20(21(26)27)13-15-3-1-2-4-18(15)25-9-7-24-8-10-25/h1-6,13-14,24H,7-12H2/b20-13-	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 19: 6604-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.014 BindingDB Entry DOI: 10.7270/Q23B606Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50299787 (4-(2,4-difluorophenyl)-2-(2-(piperazin-1-yl)benzyl...) Show SMILES Fc1ccc(N2CCS\C(=C/c3ccccc3N3CCNCC3)C2=O)c(F)c1 Show InChI InChI=1S/C21H21F2N3OS/c22-16-5-6-19(17(23)14-16)26-11-12-28-20(21(26)27)13-15-3-1-2-4-18(15)25-9-7-24-8-10-25/h1-6,13-14,24H,7-12H2/b20-13-	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 6604-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.014 BindingDB Entry DOI: 10.7270/Q23B606Z
					More data for this Ligand-Target Pair