BDBM50082838 3-{3-[4-(4-Acetyl-phenyl)-piperazin-1-yl]-propylcarbamoyl}-4-(3,4-difluoro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester::CHEMBL145122

SMILES: COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccc(cc1)C(C)=O

InChI Key: InChIKey=VOBJKTXVNRAUOO-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 = 50082838   

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))	BDBM50082838 (3-{3-[4-(4-Acetyl-phenyl)-piperazin-1-yl]-propylca...) Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccc(cc1)C(C)=O |c:4| Show InChI InChI=1S/C29H33F2N5O5/c1-18-25(27(38)41-3)26(21-7-10-23(30)24(31)17-21)36(29(40)33-18)28(39)32-11-4-12-34-13-15-35(16-14-34)22-8-5-20(6-9-22)19(2)37/h5-10,17,26H,4,11-16H2,1-3H3,(H,32,39)(H,33,40)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	430	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: 4794-803 (1999) BindingDB Entry DOI: 10.7270/Q25B01P0
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50082838 (3-{3-[4-(4-Acetyl-phenyl)-piperazin-1-yl]-propylca...) Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccc(cc1)C(C)=O |c:4| Show InChI InChI=1S/C29H33F2N5O5/c1-18-25(27(38)41-3)26(21-7-10-23(30)24(31)17-21)36(29(40)33-18)28(39)32-11-4-12-34-13-15-35(16-14-34)22-8-5-20(6-9-22)19(2)37/h5-10,17,26H,4,11-16H2,1-3H3,(H,32,39)(H,33,40)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+3	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: 4794-803 (1999) BindingDB Entry DOI: 10.7270/Q25B01P0
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50082838 (3-{3-[4-(4-Acetyl-phenyl)-piperazin-1-yl]-propylca...) Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccc(cc1)C(C)=O |c:4| Show InChI InChI=1S/C29H33F2N5O5/c1-18-25(27(38)41-3)26(21-7-10-23(30)24(31)17-21)36(29(40)33-18)28(39)32-11-4-12-34-13-15-35(16-14-34)22-8-5-20(6-9-22)19(2)37/h5-10,17,26H,4,11-16H2,1-3H3,(H,32,39)(H,33,40)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+3	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: 4794-803 (1999) BindingDB Entry DOI: 10.7270/Q25B01P0
					More data for this Ligand-Target Pair