BDBM50082863 6-(3,4-Difluoro-phenyl)-1-{5-[4-(2-methoxycarbonyl-phenyl)-piperazin-1-yl]-pentyl}-2,4-dimethyl-1,6-dihydro-pyrimidine-5-carboxylic acid methyl ester::CHEMBL436407

SMILES: COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(CC2)c2ccccc2C(=O)OC)C1c1ccc(F)c(F)c1

InChI Key: InChIKey=JYFJUOGHGPLWFO-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 = 50082863   

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))	BDBM50082863 (6-(3,4-Difluoro-phenyl)-1-{5-[4-(2-methoxycarbonyl...) Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(CC2)c2ccccc2C(=O)OC)C1c1ccc(F)c(F)c1 |c:4,t:7| Show InChI InChI=1S/C31H38F2N4O4/c1-21-28(31(39)41-4)29(23-12-13-25(32)26(33)20-23)37(22(2)34-21)15-9-5-8-14-35-16-18-36(19-17-35)27-11-7-6-10-24(27)30(38)40-3/h6-7,10-13,20,29H,5,8-9,14-19H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity against Alpha-1A adrenergic receptor (recombinant human receptor) using [3H]prazosin.				J Med Chem 42: 4804-13 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4K5R
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50082863 (6-(3,4-Difluoro-phenyl)-1-{5-[4-(2-methoxycarbonyl...) Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(CC2)c2ccccc2C(=O)OC)C1c1ccc(F)c(F)c1 |c:4,t:7| Show InChI InChI=1S/C31H38F2N4O4/c1-21-28(31(39)41-4)29(23-12-13-25(32)26(33)20-23)37(22(2)34-21)15-9-5-8-14-35-16-18-36(19-17-35)27-11-7-6-10-24(27)30(38)40-3/h6-7,10-13,20,29H,5,8-9,14-19H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity against Alpha-1B adrenergic receptor (recombinant human receptor) using [3H]prazosin.				J Med Chem 42: 4804-13 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4K5R
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50082863 (6-(3,4-Difluoro-phenyl)-1-{5-[4-(2-methoxycarbonyl...) Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(CC2)c2ccccc2C(=O)OC)C1c1ccc(F)c(F)c1 |c:4,t:7| Show InChI InChI=1S/C31H38F2N4O4/c1-21-28(31(39)41-4)29(23-12-13-25(32)26(33)20-23)37(22(2)34-21)15-9-5-8-14-35-16-18-36(19-17-35)27-11-7-6-10-24(27)30(38)40-3/h6-7,10-13,20,29H,5,8-9,14-19H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity against Alpha-1D adrenergic receptor (recombinant human receptor) using [3H]-prazosin.				J Med Chem 42: 4804-13 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4K5R
					More data for this Ligand-Target Pair