BDBM50050916 6-{3-[4-(2-Methoxy-5-methyl-phenyl)-piperazin-1-yl]-propylamino}-1,3-dimethyl-1H-pyrimidine-2,4-dione::CHEMBL76168

SMILES: COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1

InChI Key: InChIKey=RAWLZBUZFGOUJJ-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 = 50050916   

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))	BDBM50050916 (6-{3-[4-(2-Methoxy-5-methyl-phenyl)-piperazin-1-yl...) Show SMILES COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 Show InChI InChI=1S/C21H31N5O3/c1-16-6-7-18(29-4)17(14-16)26-12-10-25(11-13-26)9-5-8-22-19-15-20(27)24(3)21(28)23(19)2/h6-7,14-15,22H,5,8-13H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity of the compound towards 5-hydroxytryptamine 1A receptor in rat hypocampus membrane using [3H]-8-OH-DPAT as radioligand				J Med Chem 39: 2253-8 (1996) Article DOI: 10.1021/jm960069a BindingDB Entry DOI: 10.7270/Q22Z14NF
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50050916 (6-{3-[4-(2-Methoxy-5-methyl-phenyl)-piperazin-1-yl...) Show SMILES COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 Show InChI InChI=1S/C21H31N5O3/c1-16-6-7-18(29-4)17(14-16)26-12-10-25(11-13-26)9-5-8-22-19-15-20(27)24(3)21(28)23(19)2/h6-7,14-15,22H,5,8-13H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity of the compound towards Alpha-1B adrenergic receptor hamster smooth muscle using [3H]-prazosin as radioligand				J Med Chem 39: 2253-8 (1996) Article DOI: 10.1021/jm960069a BindingDB Entry DOI: 10.7270/Q22Z14NF
					More data for this Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor (CALF)	BDBM50050916 (6-{3-[4-(2-Methoxy-5-methyl-phenyl)-piperazin-1-yl...) Show SMILES COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 Show InChI InChI=1S/C21H31N5O3/c1-16-6-7-18(29-4)17(14-16)26-12-10-25(11-13-26)9-5-8-22-19-15-20(27)24(3)21(28)23(19)2/h6-7,14-15,22H,5,8-13H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity of the compound towards Alpha-1A adrenergic receptor in bovine brain using [3H]-prazosin as radioligand				J Med Chem 39: 2253-8 (1996) Article DOI: 10.1021/jm960069a BindingDB Entry DOI: 10.7270/Q22Z14NF
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50050916 (6-{3-[4-(2-Methoxy-5-methyl-phenyl)-piperazin-1-yl...) Show SMILES COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 Show InChI InChI=1S/C21H31N5O3/c1-16-6-7-18(29-4)17(14-16)26-12-10-25(11-13-26)9-5-8-22-19-15-20(27)24(3)21(28)23(19)2/h6-7,14-15,22H,5,8-13H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity of the compound towards Alpha-1A adrenergic receptor in rat hipocamous (+ 10 uM) CES membrane using [3H]-prazosin as radioligand				J Med Chem 39: 2253-8 (1996) Article DOI: 10.1021/jm960069a BindingDB Entry DOI: 10.7270/Q22Z14NF
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50050916 (6-{3-[4-(2-Methoxy-5-methyl-phenyl)-piperazin-1-yl...) Show SMILES COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 Show InChI InChI=1S/C21H31N5O3/c1-16-6-7-18(29-4)17(14-16)26-12-10-25(11-13-26)9-5-8-22-19-15-20(27)24(3)21(28)23(19)2/h6-7,14-15,22H,5,8-13H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity of the compound towards Alpha-1D adrenergic receptor in rat brain using [3H]-prazosin as radioligand				J Med Chem 39: 2253-8 (1996) Article DOI: 10.1021/jm960069a BindingDB Entry DOI: 10.7270/Q22Z14NF
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50050916 (6-{3-[4-(2-Methoxy-5-methyl-phenyl)-piperazin-1-yl...) Show SMILES COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 Show InChI InChI=1S/C21H31N5O3/c1-16-6-7-18(29-4)17(14-16)26-12-10-25(11-13-26)9-5-8-22-19-15-20(27)24(3)21(28)23(19)2/h6-7,14-15,22H,5,8-13H2,1-4H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity of the compound towards Alpha-1B adrenergic receptor in rat liver using [3H]-prazosin as radioligand				J Med Chem 39: 2253-8 (1996) Article DOI: 10.1021/jm960069a BindingDB Entry DOI: 10.7270/Q22Z14NF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50050916 (6-{3-[4-(2-Methoxy-5-methyl-phenyl)-piperazin-1-yl...) Show SMILES COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 Show InChI InChI=1S/C21H31N5O3/c1-16-6-7-18(29-4)17(14-16)26-12-10-25(11-13-26)9-5-8-22-19-15-20(27)24(3)21(28)23(19)2/h6-7,14-15,22H,5,8-13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	935	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against [3H]-raclopride binding to Dopamine receptor D2				J Med Chem 39: 2253-8 (1996) Article DOI: 10.1021/jm960069a BindingDB Entry DOI: 10.7270/Q22Z14NF
					More data for this Ligand-Target Pair