BDBM50082828 CHEMBL342111::methyl 4-(3,4-difluorophenyl)-6-methyl-2-oxo-3-{3-[2-oxospiro[2,3-dihydrobenzo[b]furan-3,4'-(hexahydropyridine)]-1-yl]propylcarbamoyl}-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

SMILES: COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)C(=O)Oc1ccccc21

InChI Key: InChIKey=XAFUDJXOIRWNFS-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 = 50082828   

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))	BDBM50082828 (CHEMBL342111 | methyl 4-(3,4-difluorophenyl)-6-met...) Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)C(=O)Oc1ccccc21 |c:4| Show InChI InChI=1S/C29H30F2N4O6/c1-17-23(25(36)40-2)24(18-8-9-20(30)21(31)16-18)35(28(39)33-17)27(38)32-12-5-13-34-14-10-29(11-15-34)19-6-3-4-7-22(19)41-26(29)37/h3-4,6-9,16,24H,5,10-15H2,1-2H3,(H,32,38)(H,33,39)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.5	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: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50082828 (CHEMBL342111 | methyl 4-(3,4-difluorophenyl)-6-met...) Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)C(=O)Oc1ccccc21 |c:4| Show InChI InChI=1S/C29H30F2N4O6/c1-17-23(25(36)40-2)24(18-8-9-20(30)21(31)16-18)35(28(39)33-17)27(38)32-12-5-13-34-14-10-29(11-15-34)19-6-3-4-7-22(19)41-26(29)37/h3-4,6-9,16,24H,5,10-15H2,1-2H3,(H,32,38)(H,33,39)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.49E+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: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50082828 (CHEMBL342111 | methyl 4-(3,4-difluorophenyl)-6-met...) Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)C(=O)Oc1ccccc21 |c:4| Show InChI InChI=1S/C29H30F2N4O6/c1-17-23(25(36)40-2)24(18-8-9-20(30)21(31)16-18)35(28(39)33-17)27(38)32-12-5-13-34-14-10-29(11-15-34)19-6-3-4-7-22(19)41-26(29)37/h3-4,6-9,16,24H,5,10-15H2,1-2H3,(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	1.56E+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: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW
					More data for this Ligand-Target Pair