BDBM50054355 2-{4-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]-butyl}-tetrahydro-imidazo[1,5-a]pyridine-1,3-dione::CHEMBL417709

SMILES: Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=VSSOJVHAELBITH-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50054355   

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 (Rattus norvegicus (rat))	BDBM50054355 (2-{4-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...) Show SMILES Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H29F3N4O2/c23-22(24,25)17-6-5-7-18(16-17)27-14-12-26(13-15-27)9-3-4-11-29-20(30)19-8-1-2-10-28(19)21(29)31/h5-7,16,30H,1-4,8-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Binding affinity towards rat 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT radioligand.				J Med Chem 39: 4439-50 (1996) Article DOI: 10.1021/jm960416g BindingDB Entry DOI: 10.7270/Q2WS8SBN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50054355 (2-{4-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...) Show SMILES Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H29F3N4O2/c23-22(24,25)17-6-5-7-18(16-17)27-14-12-26(13-15-27)9-3-4-11-29-20(30)19-8-1-2-10-28(19)21(29)31/h5-7,16,30H,1-4,8-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Binding affinities against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand in rat cerebral cortex membrane				J Med Chem 40: 2653-6 (1997) Article DOI: 10.1021/jm970216k BindingDB Entry DOI: 10.7270/Q2X34WKX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50054355 (2-{4-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...) Show SMILES Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H29F3N4O2/c23-22(24,25)17-6-5-7-18(16-17)27-14-12-26(13-15-27)9-3-4-11-29-20(30)19-8-1-2-10-28(19)21(29)31/h5-7,16,30H,1-4,8-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes by [3H]-8-OH-DPAT displacement.				Bioorg Med Chem Lett 6: 689-694 (1996) Article DOI: 10.1016/0960-894X(96)00081-9 BindingDB Entry DOI: 10.7270/Q2JH3M5K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50054355 (2-{4-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...) Show SMILES Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H29F3N4O2/c23-22(24,25)17-6-5-7-18(16-17)27-14-12-26(13-15-27)9-3-4-11-29-20(30)19-8-1-2-10-28(19)21(29)31/h5-7,16,30H,1-4,8-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Tested in vitro for binding affinity by measuring its ability to inhibit [3H]8-OH-DPAT binding at 5-hydroxytryptamine 1A receptor in rat cerebral cor...				J Med Chem 40: 1648-56 (1997) Article DOI: 10.1021/jm960744g BindingDB Entry DOI: 10.7270/Q2K35V96
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50054355 (2-{4-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...) Show SMILES Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H29F3N4O2/c23-22(24,25)17-6-5-7-18(16-17)27-14-12-26(13-15-27)9-3-4-11-29-20(30)19-8-1-2-10-28(19)21(29)31/h5-7,16,30H,1-4,8-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity at Alpha-1 adrenergic receptor in rat cerebral cortex membranes by [3H]prazosin displacement.				Bioorg Med Chem Lett 6: 689-694 (1996) Article DOI: 10.1016/0960-894X(96)00081-9 BindingDB Entry DOI: 10.7270/Q2JH3M5K
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50054355 (2-{4-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...) Show SMILES Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H29F3N4O2/c23-22(24,25)17-6-5-7-18(16-17)27-14-12-26(13-15-27)9-3-4-11-29-20(30)19-8-1-2-10-28(19)21(29)31/h5-7,16,30H,1-4,8-15H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Binding affinities against Alpha-1 adrenergic receptor (alpha1 adrenoceptor) using [3H]-prazosin as radioligand in rat cerebral cortex membrane				J Med Chem 40: 2653-6 (1997) Article DOI: 10.1021/jm970216k BindingDB Entry DOI: 10.7270/Q2X34WKX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50054355 (2-{4-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...) Show SMILES Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H29F3N4O2/c23-22(24,25)17-6-5-7-18(16-17)27-14-12-26(13-15-27)9-3-4-11-29-20(30)19-8-1-2-10-28(19)21(29)31/h5-7,16,30H,1-4,8-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D2 using [3H]-raclopride radioligand.				J Med Chem 39: 4439-50 (1996) Article DOI: 10.1021/jm960416g BindingDB Entry DOI: 10.7270/Q2WS8SBN
					More data for this Ligand-Target Pair