BDBM50082789 4-(3-Fluoro-phenyl)-3-[3-(4-methoxycarbonyl-4-phenyl-piperidin-1-yl)-propylcarbamoyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester::CHEMBL356978

SMILES: COC(=O)C1=C(C)NC(=O)N(C1c1cccc(F)c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1

InChI Key: InChIKey=RFEHYTXXQXNSOO-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 = 50082789   

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))	BDBM50082789 (4-(3-Fluoro-phenyl)-3-[3-(4-methoxycarbonyl-4-phen...) Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1cccc(F)c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4| Show InChI InChI=1S/C30H35FN4O6/c1-20-24(26(36)40-2)25(21-9-7-12-23(31)19-21)35(29(39)33-20)28(38)32-15-8-16-34-17-13-30(14-18-34,27(37)41-3)22-10-5-4-6-11-22/h4-7,9-12,19,25H,8,13-18H2,1-3H3,(H,32,38)(H,33,39)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	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: 4764-77 (1999) BindingDB Entry DOI: 10.7270/Q2W959W2
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50082789 (4-(3-Fluoro-phenyl)-3-[3-(4-methoxycarbonyl-4-phen...) Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1cccc(F)c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4| Show InChI InChI=1S/C30H35FN4O6/c1-20-24(26(36)40-2)25(21-9-7-12-23(31)19-21)35(29(39)33-20)28(38)32-15-8-16-34-17-13-30(14-18-34,27(37)41-3)22-10-5-4-6-11-22/h4-7,9-12,19,25H,8,13-18H2,1-3H3,(H,32,38)(H,33,39)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	67	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: 4764-77 (1999) BindingDB Entry DOI: 10.7270/Q2W959W2
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50082789 (4-(3-Fluoro-phenyl)-3-[3-(4-methoxycarbonyl-4-phen...) Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1cccc(F)c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4| Show InChI InChI=1S/C30H35FN4O6/c1-20-24(26(36)40-2)25(21-9-7-12-23(31)19-21)35(29(39)33-20)28(38)32-15-8-16-34-17-13-30(14-18-34,27(37)41-3)22-10-5-4-6-11-22/h4-7,9-12,19,25H,8,13-18H2,1-3H3,(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	150	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: 4764-77 (1999) BindingDB Entry DOI: 10.7270/Q2W959W2
					More data for this Ligand-Target Pair