BDBM50082821 CHEMBL359012::methyl 4-(3,4-difluorophenyl)-6-methyl-2-oxo-3-[3-spiro[3,4-dihydro-1H-isochromene-1,4'-(hexahydropyridine)]-1-ylpropylcarbamoyl]-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)OCCc1ccccc21

InChI Key: InChIKey=PIXIENULWHGBCZ-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 = 50082821   

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))	BDBM50082821 (CHEMBL359012 | 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)OCCc1ccccc21 |c:4| Show InChI InChI=1S/C30H34F2N4O5/c1-19-25(27(37)40-2)26(21-8-9-23(31)24(32)18-21)36(29(39)34-19)28(38)33-13-5-14-35-15-11-30(12-16-35)22-7-4-3-6-20(22)10-17-41-30/h3-4,6-9,18,26H,5,10-17H2,1-2H3,(H,33,38)(H,34,39)	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))	BDBM50082821 (CHEMBL359012 | 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)OCCc1ccccc21 |c:4| Show InChI InChI=1S/C30H34F2N4O5/c1-19-25(27(37)40-2)26(21-8-9-23(31)24(32)18-21)36(29(39)34-19)28(38)33-13-5-14-35-15-11-30(12-16-35)22-7-4-3-6-20(22)10-17-41-30/h3-4,6-9,18,26H,5,10-17H2,1-2H3,(H,33,38)(H,34,39)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	490	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))	BDBM50082821 (CHEMBL359012 | 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)OCCc1ccccc21 |c:4| Show InChI InChI=1S/C30H34F2N4O5/c1-19-25(27(37)40-2)26(21-8-9-23(31)24(32)18-21)36(29(39)34-19)28(38)33-13-5-14-35-15-11-30(12-16-35)22-7-4-3-6-20(22)10-17-41-30/h3-4,6-9,18,26H,5,10-17H2,1-2H3,(H,33,38)(H,34,39)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	620	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