BDBM50082848 3-{3-[4-(4-Chloro-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::CHEMBL142307

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

InChI Key: InChIKey=PKOIYURUOMCFSD-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 = 50082848   

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))	BDBM50082848 (3-{3-[4-(4-Chloro-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(Cl)cc1 |c:4| Show InChI InChI=1S/C27H30ClF2N5O4/c1-17-23(25(36)39-2)24(18-4-9-21(29)22(30)16-18)35(27(38)32-17)26(37)31-10-3-11-33-12-14-34(15-13-33)20-7-5-19(28)6-8-20/h4-9,16,24H,3,10-15H2,1-2H3,(H,31,37)(H,32,38)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	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))	BDBM50082848 (3-{3-[4-(4-Chloro-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(Cl)cc1 |c:4| Show InChI InChI=1S/C27H30ClF2N5O4/c1-17-23(25(36)39-2)24(18-4-9-21(29)22(30)16-18)35(27(38)32-17)26(37)31-10-3-11-33-12-14-34(15-13-33)20-7-5-19(28)6-8-20/h4-9,16,24H,3,10-15H2,1-2H3,(H,31,37)(H,32,38)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	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))	BDBM50082848 (3-{3-[4-(4-Chloro-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(Cl)cc1 |c:4| Show InChI InChI=1S/C27H30ClF2N5O4/c1-17-23(25(36)39-2)24(18-4-9-21(29)22(30)16-18)35(27(38)32-17)26(37)31-10-3-11-33-12-14-34(15-13-33)20-7-5-19(28)6-8-20/h4-9,16,24H,3,10-15H2,1-2H3,(H,31,37)(H,32,38)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	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