BDBM50210017 1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-(2-(dimethylamino)-2-oxoethyl)piperidin-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea::CHEMBL251045

SMILES: CN(C)C(=O)CN1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O

InChI Key: InChIKey=XKTJOAIQIBMZJU-SONWIMMPSA-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 = 50210017   

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
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50210017 (1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-y...) Show SMILES CN(C)C(=O)CN1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O Show InChI InChI=1S/C29H41FN6O3S/c1-19-27(20(2)37)40-29(31-19)33-28(39)32-25-17-36(18-26(38)34(3)4)13-11-23(25)16-35-12-5-6-22(15-35)14-21-7-9-24(30)10-8-21/h7-10,22-23,25H,5-6,11-18H2,1-4H3,(H2,31,32,33,39)/t22-,23-,25+/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	2	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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50210017 (1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-y...) Show SMILES CN(C)C(=O)CN1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O Show InChI InChI=1S/C29H41FN6O3S/c1-19-27(20(2)37)40-29(31-19)33-28(39)32-25-17-36(18-26(38)34(3)4)13-11-23(25)16-35-12-5-6-22(15-35)14-21-7-9-24(30)10-8-21/h7-10,22-23,25H,5-6,11-18H2,1-4H3,(H2,31,32,33,39)/t22-,23-,25+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	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