BDBM50019946 CHEMBL56547::Propionic acid 1-[4-(4-fluoro-phenyl)-4-oxo-butyl]-3-methyl-4-phenyl-piperidin-4-yl ester

SMILES: CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)C[C@H]1C)c1ccccc1

InChI Key: InChIKey=REXOMGWVBIKJKZ-OEPVSBQMSA-N

Data: 3 IC50

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 = 50019946   

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
D(1A) dopamine receptor (RAT)	BDBM50019946 (CHEMBL56547 | Propionic acid 1-[4-(4-fluoro-phenyl...) Show SMILES CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)C[C@H]1C)c1ccccc1 Show InChI InChI=1S/C25H30FNO3/c1-3-24(29)30-25(21-8-5-4-6-9-21)15-17-27(18-19(25)2)16-7-10-23(28)20-11-13-22(26)14-12-20/h4-6,8-9,11-14,19H,3,7,10,15-18H2,1-2H3/t19-,25?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanit£ Curated by ChEMBL					Assay Description Inhibitory concentration against rat striatal dopamine (D1) sensitive adenylate cyclase activity				J Med Chem 30: 1906-10 (1987) BindingDB Entry DOI: 10.7270/Q2DB82D1
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50019946 (CHEMBL56547 | Propionic acid 1-[4-(4-fluoro-phenyl...) Show SMILES CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)C[C@H]1C)c1ccccc1 Show InChI InChI=1S/C25H30FNO3/c1-3-24(29)30-25(21-8-5-4-6-9-21)15-17-27(18-19(25)2)16-7-10-23(28)20-11-13-22(26)14-12-20/h4-6,8-9,11-14,19H,3,7,10,15-18H2,1-2H3/t19-,25?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanit£ Curated by ChEMBL					Assay Description Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate receptors in rat brain membrane preparation by 50%				J Med Chem 30: 1906-10 (1987) BindingDB Entry DOI: 10.7270/Q2DB82D1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50019946 (CHEMBL56547 | Propionic acid 1-[4-(4-fluoro-phenyl...) Show SMILES CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)C[C@H]1C)c1ccccc1 Show InChI InChI=1S/C25H30FNO3/c1-3-24(29)30-25(21-8-5-4-6-9-21)15-17-27(18-19(25)2)16-7-10-23(28)20-11-13-22(26)14-12-20/h4-6,8-9,11-14,19H,3,7,10,15-18H2,1-2H3/t19-,25?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanit£ Curated by ChEMBL					Assay Description Ability to inhibit the specific binding of [3H]- spiroperidol to Dopamine receptor D2 in rat striatal membrane preparation by 50%				J Med Chem 30: 1906-10 (1987) BindingDB Entry DOI: 10.7270/Q2DB82D1
					More data for this Ligand-Target Pair