BDBM50209989 1-((3S,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)piperidin-4-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea::CHEMBL250056

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

InChI Key: InChIKey=YIHKVKMNPOHFTQ-JAXLGGSGSA-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 = 50209989   

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))	BDBM50209989 (1-((3S,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-y...) Show SMILES CC(=O)c1sc(NC(=O)N[C@@H]2CCNC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C Show InChI InChI=1S/C25H34FN5O2S/c1-16-23(17(2)32)34-25(28-16)30-24(33)29-22-9-10-27-13-20(22)15-31-11-3-4-19(14-31)12-18-5-7-21(26)8-6-18/h5-8,19-20,22,27H,3-4,9-15H2,1-2H3,(H2,28,29,30,33)/t19-,20-,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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at CCR3 assessed as eotaxin-induced chemotaxis in human eosinophils				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))	BDBM50209989 (1-((3S,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-y...) Show SMILES CC(=O)c1sc(NC(=O)N[C@@H]2CCNC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C Show InChI InChI=1S/C25H34FN5O2S/c1-16-23(17(2)32)34-25(28-16)30-24(33)29-22-9-10-27-13-20(22)15-31-11-3-4-19(14-31)12-18-5-7-21(26)8-6-18/h5-8,19-20,22,27H,3-4,9-15H2,1-2H3,(H2,28,29,30,33)/t19-,20-,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	1.90	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))	BDBM50209989 (1-((3S,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-y...) Show SMILES CC(=O)c1sc(NC(=O)N[C@@H]2CCNC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C Show InChI InChI=1S/C25H34FN5O2S/c1-16-23(17(2)32)34-25(28-16)30-24(33)29-22-9-10-27-13-20(22)15-31-11-3-4-19(14-31)12-18-5-7-21(26)8-6-18/h5-8,19-20,22,27H,3-4,9-15H2,1-2H3,(H2,28,29,30,33)/t19-,20-,22+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	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