BDBM50020579 3-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-phenylamine::CHEMBL423045

SMILES: Nc1cccc(CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1

InChI Key: InChIKey=RPESUAWYAQFNSQ-UHFFFAOYSA-N

Data: 2 KI  2 IC50

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 = 50020579   

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))	BDBM50020579 (3-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...) Show SMILES Nc1cccc(CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C19H22F3N3/c20-19(21,22)16-4-2-6-18(14-16)25-11-9-24(10-12-25)8-7-15-3-1-5-17(23)13-15/h1-6,13-14H,7-12,23H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]-5-HT (2 nM) binding to 5-HT1A receptor from bovine hippocampus				J Med Chem 32: 543-7 (1989) BindingDB Entry DOI: 10.7270/Q2H41QD3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50020579 (3-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...) Show SMILES Nc1cccc(CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C19H22F3N3/c20-19(21,22)16-4-2-6-18(14-16)25-11-9-24(10-12-25)8-7-15-3-1-5-17(23)13-15/h1-6,13-14H,7-12,23H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]-DPAT (1 nM) binding to 5-HT1A receptor from bovine hippocampus				J Med Chem 32: 543-7 (1989) BindingDB Entry DOI: 10.7270/Q2H41QD3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50020579 (3-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...) Show SMILES Nc1cccc(CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C19H22F3N3/c20-19(21,22)16-4-2-6-18(14-16)25-11-9-24(10-12-25)8-7-15-3-1-5-17(23)13-15/h1-6,13-14H,7-12,23H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]-5-HT (2 nM) binding to 5-HT1A receptor from bovine hippocampus				J Med Chem 32: 543-7 (1989) BindingDB Entry DOI: 10.7270/Q2H41QD3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50020579 (3-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...) Show SMILES Nc1cccc(CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C19H22F3N3/c20-19(21,22)16-4-2-6-18(14-16)25-11-9-24(10-12-25)8-7-15-3-1-5-17(23)13-15/h1-6,13-14H,7-12,23H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]-DPAT (1 nM) binding to 5-HT1A receptor from bovine hippocampus				J Med Chem 32: 543-7 (1989) BindingDB Entry DOI: 10.7270/Q2H41QD3
					More data for this Ligand-Target Pair