BDBM50082867 6-(3,4-Difluoro-phenyl)-1-[4-(4-methoxycarbonyl-4-phenyl-piperidin-1-yl)-butyl]-2,4-dimethyl-1,6-dihydro-pyrimidine-5-carboxylic acid methyl ester::CHEMBL145278

SMILES: COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)c(F)c1

InChI Key: InChIKey=XQPITIPYGHBCQW-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 = 50082867   

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))	BDBM50082867 (6-(3,4-Difluoro-phenyl)-1-[4-(4-methoxycarbonyl-4-...) Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7| Show InChI InChI=1S/C31H37F2N3O4/c1-21-27(29(37)39-3)28(23-12-13-25(32)26(33)20-23)36(22(2)34-21)17-9-8-16-35-18-14-31(15-19-35,30(38)40-4)24-10-6-5-7-11-24/h5-7,10-13,20,28H,8-9,14-19H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60	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))	BDBM50082867 (6-(3,4-Difluoro-phenyl)-1-[4-(4-methoxycarbonyl-4-...) Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7| Show InChI InChI=1S/C31H37F2N3O4/c1-21-27(29(37)39-3)28(23-12-13-25(32)26(33)20-23)36(22(2)34-21)17-9-8-16-35-18-14-31(15-19-35,30(38)40-4)24-10-6-5-7-11-24/h5-7,10-13,20,28H,8-9,14-19H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	440	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))	BDBM50082867 (6-(3,4-Difluoro-phenyl)-1-[4-(4-methoxycarbonyl-4-...) Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7| Show InChI InChI=1S/C31H37F2N3O4/c1-21-27(29(37)39-3)28(23-12-13-25(32)26(33)20-23)36(22(2)34-21)17-9-8-16-35-18-14-31(15-19-35,30(38)40-4)24-10-6-5-7-11-24/h5-7,10-13,20,28H,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	610	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