BDBM50082814 CHEMBL358785::methyl 4-(3,4-difluorophenyl)-6-methyl-2-oxo-3-{3-[3-oxospiro[3,4-dihydro-1H-isochromene-1,4'-(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)OC(=O)Cc1ccccc21

InChI Key: InChIKey=JWSQOVQOBFTBTR-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 = 50082814   

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))	BDBM50082814 (CHEMBL358785 | 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)OC(=O)Cc1ccccc21 |c:4| Show InChI InChI=1S/C30H32F2N4O6/c1-18-25(27(38)41-2)26(20-8-9-22(31)23(32)16-20)36(29(40)34-18)28(39)33-12-5-13-35-14-10-30(11-15-35)21-7-4-3-6-19(21)17-24(37)42-30/h3-4,6-9,16,26H,5,10-15,17H2,1-2H3,(H,33,39)(H,34,40)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	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))	BDBM50082814 (CHEMBL358785 | 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)OC(=O)Cc1ccccc21 |c:4| Show InChI InChI=1S/C30H32F2N4O6/c1-18-25(27(38)41-2)26(20-8-9-22(31)23(32)16-20)36(29(40)34-18)28(39)33-12-5-13-35-14-10-30(11-15-35)21-7-4-3-6-19(21)17-24(37)42-30/h3-4,6-9,16,26H,5,10-15,17H2,1-2H3,(H,33,39)(H,34,40)	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))	BDBM50082814 (CHEMBL358785 | 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)OC(=O)Cc1ccccc21 |c:4| Show InChI InChI=1S/C30H32F2N4O6/c1-18-25(27(38)41-2)26(20-8-9-22(31)23(32)16-20)36(29(40)34-18)28(39)33-12-5-13-35-14-10-30(11-15-35)21-7-4-3-6-19(21)17-24(37)42-30/h3-4,6-9,16,26H,5,10-15,17H2,1-2H3,(H,33,39)(H,34,40)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	330	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