BDBM50082869 1-{5-[5-Carbamoyl-6-(2,4-difluoro-phenyl)-2,4-dimethyl-6H-pyrimidin-1-yl]-pentyl}-4-phenyl-piperidine-4-carboxylic acid methyl ester::CHEMBL145353

SMILES: COC(=O)C1(CCN(CCCCCN2C(C(C(N)=O)=C(C)N=C2C)c2ccc(F)cc2F)CC1)c1ccccc1

InChI Key: InChIKey=MFXXQERUKWXMIU-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 = 50082869   

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))	BDBM50082869 (1-{5-[5-Carbamoyl-6-(2,4-difluoro-phenyl)-2,4-dime...) Show SMILES COC(=O)C1(CCN(CCCCCN2C(C(C(N)=O)=C(C)N=C2C)c2ccc(F)cc2F)CC1)c1ccccc1 |c:21,t:18| Show InChI InChI=1S/C31H38F2N4O3/c1-21-27(29(34)38)28(25-13-12-24(32)20-26(25)33)37(22(2)35-21)17-9-5-8-16-36-18-14-31(15-19-36,30(39)40-3)23-10-6-4-7-11-23/h4,6-7,10-13,20,28H,5,8-9,14-19H2,1-3H3,(H2,34,38)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20	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))	BDBM50082869 (1-{5-[5-Carbamoyl-6-(2,4-difluoro-phenyl)-2,4-dime...) Show SMILES COC(=O)C1(CCN(CCCCCN2C(C(C(N)=O)=C(C)N=C2C)c2ccc(F)cc2F)CC1)c1ccccc1 |c:21,t:18| Show InChI InChI=1S/C31H38F2N4O3/c1-21-27(29(34)38)28(25-13-12-24(32)20-26(25)33)37(22(2)35-21)17-9-5-8-16-36-18-14-31(15-19-36,30(39)40-3)23-10-6-4-7-11-23/h4,6-7,10-13,20,28H,5,8-9,14-19H2,1-3H3,(H2,34,38)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	410	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))	BDBM50082869 (1-{5-[5-Carbamoyl-6-(2,4-difluoro-phenyl)-2,4-dime...) Show SMILES COC(=O)C1(CCN(CCCCCN2C(C(C(N)=O)=C(C)N=C2C)c2ccc(F)cc2F)CC1)c1ccccc1 |c:21,t:18| Show InChI InChI=1S/C31H38F2N4O3/c1-21-27(29(34)38)28(25-13-12-24(32)20-26(25)33)37(22(2)35-21)17-9-5-8-16-36-18-14-31(15-19-36,30(39)40-3)23-10-6-4-7-11-23/h4,6-7,10-13,20,28H,5,8-9,14-19H2,1-3H3,(H2,34,38)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	690	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