BDBM50082857 4-(3,4-Difluoro-phenyl)-3-{3-[4-(2-ethoxy-phenyl)-piperazin-1-yl]-propylcarbamoyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester::CHEMBL142251

SMILES: CCOc1ccccc1N1CCN(CCCNC(=O)N2C(C(C(=O)OC)=C(C)NC2=O)c2ccc(F)c(F)c2)CC1

InChI Key: InChIKey=FOMUZVDWSAHVBW-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 = 50082857   

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))	BDBM50082857 (4-(3,4-Difluoro-phenyl)-3-{3-[4-(2-ethoxy-phenyl)-...) Show SMILES CCOc1ccccc1N1CCN(CCCNC(=O)N2C(C(C(=O)OC)=C(C)NC2=O)c2ccc(F)c(F)c2)CC1 |t:26| Show InChI InChI=1S/C29H35F2N5O5/c1-4-41-24-9-6-5-8-23(24)35-16-14-34(15-17-35)13-7-12-32-28(38)36-26(20-10-11-21(30)22(31)18-20)25(27(37)40-3)19(2)33-29(36)39/h5-6,8-11,18,26H,4,7,12-17H2,1-3H3,(H,32,38)(H,33,39)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	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))	BDBM50082857 (4-(3,4-Difluoro-phenyl)-3-{3-[4-(2-ethoxy-phenyl)-...) Show SMILES CCOc1ccccc1N1CCN(CCCNC(=O)N2C(C(C(=O)OC)=C(C)NC2=O)c2ccc(F)c(F)c2)CC1 |t:26| Show InChI InChI=1S/C29H35F2N5O5/c1-4-41-24-9-6-5-8-23(24)35-16-14-34(15-17-35)13-7-12-32-28(38)36-26(20-10-11-21(30)22(31)18-20)25(27(37)40-3)19(2)33-29(36)39/h5-6,8-11,18,26H,4,7,12-17H2,1-3H3,(H,32,38)(H,33,39)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80	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))	BDBM50082857 (4-(3,4-Difluoro-phenyl)-3-{3-[4-(2-ethoxy-phenyl)-...) Show SMILES CCOc1ccccc1N1CCN(CCCNC(=O)N2C(C(C(=O)OC)=C(C)NC2=O)c2ccc(F)c(F)c2)CC1 |t:26| Show InChI InChI=1S/C29H35F2N5O5/c1-4-41-24-9-6-5-8-23(24)35-16-14-34(15-17-35)13-7-12-32-28(38)36-26(20-10-11-21(30)22(31)18-20)25(27(37)40-3)19(2)33-29(36)39/h5-6,8-11,18,26H,4,7,12-17H2,1-3H3,(H,32,38)(H,33,39)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	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