BDBM50255006 1-((5R,6S)-6-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-3-methyl-2-oxo-1,3-oxazinan-5-yl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea::CHEMBL464902

SMILES: CN1C[C@@H](NC(=O)Nc2cccc(c2)-c2nnnn2C)[C@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O

InChI Key: InChIKey=RHPFRSVVYGFARI-IEXUWNMDSA-N

Data: 2 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 2 hits for monomerid = 50255006   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50255006 (1-((5R,6S)-6-(((S)-3-(4-fluorobenzyl)piperidin-1-y...) Show SMILES CN1C[C@@H](NC(=O)Nc2cccc(c2)-c2nnnn2C)[C@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r| Show InChI InChI=1S/C27H33FN8O3/c1-34-16-23(30-26(37)29-22-7-3-6-20(14-22)25-31-32-33-35(25)2)24(39-27(34)38)17-36-12-4-5-19(15-36)13-18-8-10-21(28)11-9-18/h3,6-11,14,19,23-24H,4-5,12-13,15-17H2,1-2H3,(H2,29,30,37)/t19-,23+,24-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 19: 96-9 (2008) Article DOI: 10.1016/j.bmcl.2008.11.002 BindingDB Entry DOI: 10.7270/Q2MG7PCW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50255006 (1-((5R,6S)-6-(((S)-3-(4-fluorobenzyl)piperidin-1-y...) Show SMILES CN1C[C@@H](NC(=O)Nc2cccc(c2)-c2nnnn2C)[C@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r| Show InChI InChI=1S/C27H33FN8O3/c1-34-16-23(30-26(37)29-22-7-3-6-20(14-22)25-31-32-33-35(25)2)24(39-27(34)38)17-36-12-4-5-19(15-36)13-18-8-10-21(28)11-9-18/h3,6-11,14,19,23-24H,4-5,12-13,15-17H2,1-2H3,(H2,29,30,37)/t19-,23+,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to CCR3 receptor (unknown origin)				Bioorg Med Chem Lett 19: 96-9 (2008) Article DOI: 10.1016/j.bmcl.2008.11.002 BindingDB Entry DOI: 10.7270/Q2MG7PCW
					More data for this Ligand-Target Pair