BDBM50082878 6-(3,4-Difluoro-phenyl)-2,4-dimethyl-1-{5-[4-(2-trifluoromethyl-phenyl)-piperidin-1-yl]-pentyl}-1,6-dihydro-pyrimidine-5-carboxylic acid methyl ester::CHEMBL142606

SMILES: COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)c2ccccc2C(F)(F)F)C1c1ccc(F)c(F)c1

InChI Key: InChIKey=HXUMKMQRTFHLCC-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 = 50082878   

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))	BDBM50082878 (6-(3,4-Difluoro-phenyl)-2,4-dimethyl-1-{5-[4-(2-tr...) Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)c2ccccc2C(F)(F)F)C1c1ccc(F)c(F)c1 |c:4,t:7| Show InChI InChI=1S/C31H36F5N3O2/c1-20-28(30(40)41-3)29(23-11-12-26(32)27(33)19-23)39(21(2)37-20)16-8-4-7-15-38-17-13-22(14-18-38)24-9-5-6-10-25(24)31(34,35)36/h5-6,9-12,19,22,29H,4,7-8,13-18H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	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))	BDBM50082878 (6-(3,4-Difluoro-phenyl)-2,4-dimethyl-1-{5-[4-(2-tr...) Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)c2ccccc2C(F)(F)F)C1c1ccc(F)c(F)c1 |c:4,t:7| Show InChI InChI=1S/C31H36F5N3O2/c1-20-28(30(40)41-3)29(23-11-12-26(32)27(33)19-23)39(21(2)37-20)16-8-4-7-15-38-17-13-22(14-18-38)24-9-5-6-10-25(24)31(34,35)36/h5-6,9-12,19,22,29H,4,7-8,13-18H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	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))	BDBM50082878 (6-(3,4-Difluoro-phenyl)-2,4-dimethyl-1-{5-[4-(2-tr...) Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)c2ccccc2C(F)(F)F)C1c1ccc(F)c(F)c1 |c:4,t:7| Show InChI InChI=1S/C31H36F5N3O2/c1-20-28(30(40)41-3)29(23-11-12-26(32)27(33)19-23)39(21(2)37-20)16-8-4-7-15-38-17-13-22(14-18-38)24-9-5-6-10-25(24)31(34,35)36/h5-6,9-12,19,22,29H,4,7-8,13-18H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+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 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