BDBM50210022 1-((2S,3R)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-tetrahydro-2H-pyran-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea::CHEMBL404213

SMILES: CC(=O)c1sc(NC(=O)N[C@@H]2CCCO[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C

InChI Key: InChIKey=JJILEQNLSXCPPS-NNWRFLSQSA-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 = 50210022   

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))	BDBM50210022 (1-((2S,3R)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...) Show SMILES CC(=O)c1sc(NC(=O)N[C@@H]2CCCO[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C Show InChI InChI=1S/C25H33FN4O3S/c1-16-23(17(2)31)34-25(27-16)29-24(32)28-21-6-4-12-33-22(21)15-30-11-3-5-19(14-30)13-18-7-9-20(26)10-8-18/h7-10,19,21-22H,3-6,11-15H2,1-2H3,(H2,27,28,29,32)/t19-,21+,22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				Bioorg Med Chem Lett 17: 2992-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.065 BindingDB Entry DOI: 10.7270/Q2V987SQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50210022 (1-((2S,3R)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...) Show SMILES CC(=O)c1sc(NC(=O)N[C@@H]2CCCO[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C Show InChI InChI=1S/C25H33FN4O3S/c1-16-23(17(2)31)34-25(27-16)29-24(32)28-21-6-4-12-33-22(21)15-30-11-3-5-19(14-30)13-18-7-9-20(26)10-8-18/h7-10,19,21-22H,3-6,11-15H2,1-2H3,(H2,27,28,29,32)/t19-,21+,22-/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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]eotaxin from human CCR3 expressed in CHO cells after 30 mins				Bioorg Med Chem Lett 17: 2992-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.065 BindingDB Entry DOI: 10.7270/Q2V987SQ
					More data for this Ligand-Target Pair