BDBM50082826 3-[3-(4-Acetoxy-4-phenyl-piperidin-1-yl)-propylcarbamoyl]-4-(3,4-difluoro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester::CHEMBL342543

SMILES: COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(OC(C)=O)c1ccccc1

InChI Key: InChIKey=YARZXKRRRMSSKW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50082826   

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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50082826 (3-[3-(4-Acetoxy-4-phenyl-piperidin-1-yl)-propylcar...) Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(OC(C)=O)c1ccccc1 |c:4| Show InChI InChI=1S/C30H34F2N4O6/c1-19-25(27(38)41-3)26(21-10-11-23(31)24(32)18-21)36(29(40)34-19)28(39)33-14-7-15-35-16-12-30(13-17-35,42-20(2)37)22-8-5-4-6-9-22/h4-6,8-11,18,26H,7,12-17H2,1-3H3,(H,33,39)(H,34,40)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description In vitro binding affinity against alpha-1A adrenergic receptor of human liver microsomes				J Med Chem 42: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50082826 (3-[3-(4-Acetoxy-4-phenyl-piperidin-1-yl)-propylcar...) Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(OC(C)=O)c1ccccc1 |c:4| Show InChI InChI=1S/C30H34F2N4O6/c1-19-25(27(38)41-3)26(21-10-11-23(31)24(32)18-21)36(29(40)34-19)28(39)33-14-7-15-35-16-12-30(13-17-35,42-20(2)37)22-8-5-4-6-9-22/h4-6,8-11,18,26H,7,12-17H2,1-3H3,(H,33,39)(H,34,40)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description In vitro binding affinity against Alpha-1B adrenergic receptor of human liver microsomes.				J Med Chem 42: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50082826 (3-[3-(4-Acetoxy-4-phenyl-piperidin-1-yl)-propylcar...) Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(OC(C)=O)c1ccccc1 |c:4| Show InChI InChI=1S/C30H34F2N4O6/c1-19-25(27(38)41-3)26(21-10-11-23(31)24(32)18-21)36(29(40)34-19)28(39)33-14-7-15-35-16-12-30(13-17-35,42-20(2)37)22-8-5-4-6-9-22/h4-6,8-11,18,26H,7,12-17H2,1-3H3,(H,33,39)(H,34,40)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description In vitro binding affinity against alpha-1D adrenergic receptor of human liver microsomes.				J Med Chem 42: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW
					More data for this Ligand-Target Pair