BDBM50054395 2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-tetrahydro-pyrrolo[1,2-c]imidazole-1,3-dione::CHEMBL42810

SMILES: COc1ccccc1N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1

InChI Key: InChIKey=DVKSOQUUNYQKSE-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 = 50054395   

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))	BDBM50054395 (2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...) Show SMILES COc1ccccc1N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1 Show InChI InChI=1S/C21H30N4O3/c1-28-19-9-3-2-7-17(19)23-15-13-22(14-16-23)10-4-5-11-25-20(26)18-8-6-12-24(18)21(25)27/h2-3,7,9,26H,4-6,8,10-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	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 (Homo sapiens (Human))	BDBM50054395 (2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...) Show SMILES COc1ccccc1N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1 Show InChI InChI=1S/C21H30N4O3/c1-28-19-9-3-2-7-17(19)23-15-13-22(14-16-23)10-4-5-11-25-20(26)18-8-6-12-24(18)21(25)27/h2-3,7,9,26H,4-6,8,10-16H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in EBNA gene-positive HEK293 cells after 120 mins				ACS Med Chem Lett 1: 249-253 (2010) Article DOI: 10.1021/ml100053y BindingDB Entry DOI: 10.7270/Q2HD7W0T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50054395 (2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...) Show SMILES COc1ccccc1N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1 Show InChI InChI=1S/C21H30N4O3/c1-28-19-9-3-2-7-17(19)23-15-13-22(14-16-23)10-4-5-11-25-20(26)18-8-6-12-24(18)21(25)27/h2-3,7,9,26H,4-6,8,10-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50054395 (2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...) Show SMILES COc1ccccc1N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1 Show InChI InChI=1S/C21H30N4O3/c1-28-19-9-3-2-7-17(19)23-15-13-22(14-16-23)10-4-5-11-25-20(26)18-8-6-12-24(18)21(25)27/h2-3,7,9,26H,4-6,8,10-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	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
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50054395 (2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...) Show SMILES COc1ccccc1N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1 Show InChI InChI=1S/C21H30N4O3/c1-28-19-9-3-2-7-17(19)23-15-13-22(14-16-23)10-4-5-11-25-20(26)18-8-6-12-24(18)21(25)27/h2-3,7,9,26H,4-6,8,10-16H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30	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))	BDBM50054395 (2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...) Show SMILES COc1ccccc1N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1 Show InChI InChI=1S/C21H30N4O3/c1-28-19-9-3-2-7-17(19)23-15-13-22(14-16-23)10-4-5-11-25-20(26)18-8-6-12-24(18)21(25)27/h2-3,7,9,26H,4-6,8,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	107	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