BDBM50082829 4-(3,4-Difluoro-phenyl)-3-[3-(4-methoxy-4-phenyl-piperidin-1-yl)-propylcarbamoyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester::CHEMBL144965

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

InChI Key: InChIKey=FUAZJQZXKXKCSP-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 = 50082829   

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))	BDBM50082829 (4-(3,4-Difluoro-phenyl)-3-[3-(4-methoxy-4-phenyl-p...) Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(OC)c1ccccc1 |c:4| Show InChI InChI=1S/C29H34F2N4O5/c1-19-24(26(36)39-2)25(20-10-11-22(30)23(31)18-20)35(28(38)33-19)27(37)32-14-7-15-34-16-12-29(40-3,13-17-34)21-8-5-4-6-9-21/h4-6,8-11,18,25H,7,12-17H2,1-3H3,(H,32,37)(H,33,38)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	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))	BDBM50082829 (4-(3,4-Difluoro-phenyl)-3-[3-(4-methoxy-4-phenyl-p...) Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(OC)c1ccccc1 |c:4| Show InChI InChI=1S/C29H34F2N4O5/c1-19-24(26(36)39-2)25(20-10-11-22(30)23(31)18-20)35(28(38)33-19)27(37)32-14-7-15-34-16-12-29(40-3,13-17-34)21-8-5-4-6-9-21/h4-6,8-11,18,25H,7,12-17H2,1-3H3,(H,32,37)(H,33,38)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	250	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))	BDBM50082829 (4-(3,4-Difluoro-phenyl)-3-[3-(4-methoxy-4-phenyl-p...) Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(OC)c1ccccc1 |c:4| Show InChI InChI=1S/C29H34F2N4O5/c1-19-24(26(36)39-2)25(20-10-11-22(30)23(31)18-20)35(28(38)33-19)27(37)32-14-7-15-34-16-12-29(40-3,13-17-34)21-8-5-4-6-9-21/h4-6,8-11,18,25H,7,12-17H2,1-3H3,(H,32,37)(H,33,38)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	370	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